Entering Gaussian System, Link 0=/share/apps/gaussian/g16/g16 Initial command: /share/apps/gaussian/g16/l1.exe "/scratch/webmo-13362/556300/Gau-12794.inp" -scrdir="/scratch/webmo-13362/556300/" Entering Link 1 = /share/apps/gaussian/g16/l1.exe PID= 12795. Copyright (c) 1988-2019, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 16 program. It is based on the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.), the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 16, Revision C.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2019. ****************************************** Gaussian 16: ES64L-G16RevC.01 3-Jul-2019 24-Dec-2020 ****************************************** %NProcShared=12 Will use up to 12 processors via shared memory. ------------------------------------------------------------------ #N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivity ------------------------------------------------------------------ 1/38=1,57=2,163=2,172=1/1; 2/12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=1,11=2,24=10,25=1,30=1,74=-5/1,2,3; 4//1; 5/5=2,38=5/2; 6/7=3,28=1,40=2,113=1,114=1,124=2103,126=1/1,12; 99/5=1,9=1/99; --------------------------------------------- C15H24Br(+1) cholesterol bromonium from below --------------------------------------------- Symbolic Z-matrix: Charge = 1 Multiplicity = 1 C C 1 B1 C 2 B2 1 A1 C 3 B3 2 A2 1 D1 0 C 4 B4 3 A3 2 D2 0 C 1 B5 2 A4 3 D3 0 C 6 B6 1 A5 2 D4 0 C 7 B7 6 A6 1 D5 0 C 8 B8 7 A7 6 D6 0 C 5 B9 6 A8 1 D7 0 C 10 B10 5 A9 6 D8 0 H 11 B11 10 A10 5 D9 0 H 11 B12 10 A11 5 D10 0 C 11 B13 10 A12 5 D11 0 H 14 B14 11 A13 10 D12 0 H 14 B15 11 A14 10 D13 0 C 14 B16 11 A15 10 D14 0 C 9 B17 10 A16 5 D15 0 H 18 B18 9 A17 10 D16 0 H 18 B19 9 A18 10 D17 0 H 17 B20 18 A19 9 D18 0 H 17 B21 18 A20 9 D19 0 H 10 B22 5 A21 6 D20 0 H 9 B23 10 A22 5 D21 0 H 8 B24 9 A23 10 D22 0 H 8 B25 9 A24 10 D23 0 H 7 B26 6 A25 1 D24 0 Br 6 B27 1 A26 2 D25 0 C 5 B28 6 A27 1 D26 0 H 29 B29 5 A28 6 D27 0 H 29 B30 5 A29 6 D28 0 H 29 B31 5 A30 6 D29 0 H 4 B32 3 A31 2 D30 0 H 4 B33 3 A32 2 D31 0 H 3 B34 2 A33 1 D32 0 H 3 B35 2 A34 1 D33 0 H 2 B36 1 A35 6 D34 0 H 2 B37 1 A36 6 D35 0 H 1 B38 2 A37 3 D36 0 H 1 B39 2 A38 3 D37 0 Variables: B1 1.54168 B2 1.53172 B3 1.53653 B4 1.55961 B5 1.49833 B6 1.47022 B7 1.50714 B8 1.55145 B9 1.56801 B10 1.54433 B11 1.09473 B12 1.09832 B13 1.5383 B14 1.09557 B15 1.09921 B16 1.53313 B17 1.54199 B18 1.10031 B19 1.09745 B20 1.09919 B21 1.09555 B22 1.09887 B23 1.0981 B24 1.09615 B25 1.09967 B26 1.08943 B27 2.31662 B28 1.57447 B29 1.09079 B30 1.09392 B31 1.09261 B32 1.09797 B33 1.09323 B34 1.09702 B35 1.09544 B36 1.09705 B37 1.09404 B38 1.10251 B39 1.0944 A1 111.28351 A2 112.29631 A3 114.88645 A4 112.6174 A5 119.32235 A6 121.85594 A7 116.31651 A8 111.62747 A9 114.15431 A10 110.50821 A11 110.2214 A12 111.2165 A13 109.34426 A14 109.27583 A15 111.59482 A16 110.89815 A17 108.76693 A18 109.33479 A19 109.39202 A20 109.84296 A21 105.81055 A22 107.01231 A23 111.29047 A24 110.30909 A25 115.28436 A26 104.30296 A27 103.24271 A28 111.97656 A29 113.03425 A30 107.6527 A31 109.41943 A32 109.49809 A33 109.79355 A34 109.572 A35 107.98002 A36 108.93581 A37 109.3648 A38 112.01698 D1 52.77419 D2 -52.57578 D3 -49.23856 D4 -142.64357 D5 -157.60793 D6 -15.1921 D7 -168.46467 D8 -178.37031 D9 -53.75202 D10 64.17607 D11 -175.28041 D12 -179.12801 D13 64.68869 D14 -56.66877 D15 175.01705 D16 -65.34035 D17 178.68335 D18 66.67342 D19 -176.79823 D20 65.08127 D21 -68.56359 D22 107.95848 D23 -136.00445 D24 -8.73933 D25 -77.65571 D26 72.43227 D27 -67.41071 D28 55.15657 D29 174.14978 D30 68.45044 D31 -174.90517 D32 -70.50559 D33 173.66834 D34 71.97929 D35 -172.11424 D36 67.48075 D37 -174.83881 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.000000 0.000000 0.000000 2 6 0 0.000000 0.000000 1.541681 3 6 0 1.427254 0.000000 2.097671 4 6 0 2.282625 1.131996 1.507895 5 6 0 2.303118 1.195549 -0.050281 6 6 0 0.903040 1.047607 -0.576221 7 6 0 0.492014 1.762045 -1.793667 8 6 0 1.492981 2.435412 -2.697051 9 6 0 2.911610 2.655353 -2.108724 10 6 0 2.978390 2.512992 -0.567021 11 6 0 4.435652 2.704142 -0.092898 12 1 0 4.497239 2.628642 0.997490 13 1 0 5.075710 1.912052 -0.504280 14 6 0 4.992081 4.067038 -0.539304 15 1 0 6.029648 4.163802 -0.201131 16 1 0 4.426772 4.869462 -0.044535 17 6 0 4.906708 4.240615 -2.060180 18 6 0 3.474631 4.018046 -2.560174 19 1 0 2.820785 4.815725 -2.176936 20 1 0 3.436920 4.082043 -3.655102 21 1 0 5.580085 3.523462 -2.550561 22 1 0 5.251176 5.239111 -2.351015 23 1 0 2.400219 3.337891 -0.127962 24 1 0 3.565368 1.880963 -2.531494 25 1 0 1.054490 3.378946 -3.042022 26 1 0 1.546021 1.802753 -3.594946 27 1 0 -0.396685 1.368998 -2.286202 28 35 0 -0.292509 3.019329 -0.353321 29 6 0 3.039391 -0.072932 -0.622819 30 1 0 2.665023 -0.996800 -0.179934 31 1 0 2.961323 -0.158555 -1.710581 32 1 0 4.098422 0.016019 -0.369153 33 1 0 1.911256 2.098491 1.873283 34 1 0 3.311640 1.035366 1.864193 35 1 0 1.898435 -0.973031 1.911546 36 1 0 1.396822 0.113828 3.186752 37 1 0 -0.540825 0.892381 1.880324 38 1 0 -0.561725 -0.869104 1.896706 39 1 0 0.398368 -0.960832 -0.365574 40 1 0 -1.010471 0.091270 -0.410268 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.541681 0.000000 3 C 2.537179 1.531724 0.000000 4 C 2.960665 2.548123 1.536525 0.000000 5 C 2.595422 3.044344 2.609630 1.559606 0.000000 6 C 1.498330 2.529520 2.919243 2.500783 1.502903 7 C 2.562055 3.804133 4.372870 3.808355 2.576900 8 C 3.928652 5.111465 5.378188 4.472584 3.032982 9 C 4.469350 5.371576 5.191144 3.974440 2.595858 10 C 3.937950 4.430865 3.977655 2.587763 1.568015 11 C 5.195769 5.446030 4.600156 3.109615 2.612541 12 H 5.303763 5.237467 4.188671 2.721209 2.822365 13 H 5.447300 5.796959 4.872097 3.529683 2.899441 14 C 6.461619 6.766991 6.016845 4.488502 3.964229 15 H 7.330372 7.532018 6.618441 5.113981 4.766582 16 H 6.581030 6.769346 6.107194 4.579963 4.243533 17 C 6.804626 7.418356 6.883105 5.411144 4.482277 18 C 5.896799 6.711405 6.483206 5.128289 3.954554 19 H 5.990583 6.706426 6.588277 5.238078 4.230404 20 H 6.468019 7.448628 7.334592 6.057369 4.755218 21 H 7.075132 7.765216 7.160088 5.750080 4.733825 22 H 7.781414 8.377125 7.865206 6.369606 5.507706 23 H 4.113265 4.437373 4.128150 2.748787 2.145948 24 H 4.760077 5.730674 5.434954 4.303841 2.866965 25 H 4.667240 5.791335 6.162197 5.221001 3.908557 26 H 4.308565 5.659067 5.972429 5.199181 3.675125 27 H 2.694111 4.084630 4.941584 4.650811 3.509753 28 Br 3.053972 3.576722 4.252210 3.695601 3.186736 29 C 3.103405 3.732061 3.163127 2.562126 1.574465 30 H 2.851024 3.325646 2.777260 2.743496 2.225798 31 H 3.423545 4.401338 4.108684 3.533375 2.241300 32 H 4.115045 4.522014 3.636017 2.840041 2.171655 33 H 3.400846 2.857713 2.165242 1.097969 2.160777 34 H 3.938801 3.484674 2.162731 1.093233 2.169789 35 H 2.864411 2.165097 1.097016 2.177538 2.952163 36 H 3.481301 2.161094 1.095436 2.154036 3.531270 37 H 2.150454 1.097048 2.171847 2.857969 3.450675 38 H 2.160641 1.094038 2.179855 3.499414 4.032477 39 H 1.102515 2.172444 2.837142 3.382342 2.894384 40 H 1.094395 2.199883 3.498655 3.950562 3.511252 6 7 8 9 10 6 C 0.000000 7 C 1.470218 0.000000 8 C 2.602297 1.507136 0.000000 9 C 2.994623 2.598404 1.551454 0.000000 10 C 2.540574 2.872394 2.597977 1.549701 0.000000 11 C 3.931546 4.396867 3.938673 2.527576 1.544326 12 H 4.230190 4.958163 4.765768 3.487621 2.183569 13 H 4.261880 4.763958 4.232978 2.794650 2.182617 14 C 5.083167 5.209321 4.422870 2.963831 2.543772 15 H 6.011112 6.242595 5.458782 3.954300 3.488441 16 H 5.225510 5.310162 4.644090 3.385095 2.814916 17 C 5.331678 5.069897 3.913808 2.548691 2.988748 18 C 4.401438 3.817470 2.539764 1.541989 2.546389 19 H 4.520923 3.859407 2.774792 2.163355 2.814115 20 H 5.010775 4.185667 2.721793 2.168566 3.494054 21 H 5.648241 5.437274 4.231990 2.840703 3.424076 22 H 6.294830 5.920325 4.701543 3.494006 3.972394 23 H 2.772704 2.983138 2.870152 2.156570 1.098869 24 H 3.406694 3.162915 2.151653 1.098096 2.145497 25 H 3.396801 2.118759 1.096146 2.200801 3.252214 26 H 3.177478 2.087389 1.099675 2.191030 3.424098 27 H 2.171776 1.089432 2.208364 3.554015 3.956695 28 Br 2.316616 2.066599 3.003665 3.671551 3.316749 29 C 2.412835 3.350696 3.603556 3.109306 2.587246 30 H 2.727861 3.864885 4.414707 4.137543 3.544951 31 H 2.641614 3.129393 3.139716 2.842371 2.906060 32 H 3.364152 4.252532 4.249811 3.376495 2.743811 33 H 2.849724 3.946387 4.601785 4.143330 2.695491 34 H 3.428866 4.675286 5.106133 4.309113 2.864479 35 H 3.356005 4.815316 5.746394 5.509470 4.411570 36 H 3.908418 5.323520 6.325989 6.065970 4.727384 37 H 2.853674 3.914241 5.241152 5.562363 4.582658 38 H 3.454661 4.653189 6.020319 6.366264 5.480962 39 H 2.081560 3.076082 4.262445 4.736217 4.331807 40 H 2.145610 2.638701 4.122092 4.984174 4.669081 11 12 13 14 15 11 C 0.000000 12 H 1.094732 0.000000 13 H 1.098324 1.761659 0.000000 14 C 1.538303 2.162311 2.156892 0.000000 15 H 2.164057 2.478242 2.464198 1.095568 0.000000 16 H 2.165878 2.472257 3.062475 1.099206 1.758319 17 C 2.540244 3.480728 2.805635 1.533128 2.173236 18 C 2.955902 3.953877 3.350427 2.527641 3.480580 19 H 3.377839 4.203667 4.039032 2.820798 3.824345 20 H 3.947832 4.988313 4.161991 3.482377 4.319587 21 H 2.832159 3.816009 2.652980 2.164805 2.476280 22 H 3.491453 4.312245 3.809270 2.173289 2.526719 23 H 2.132100 2.483379 3.054977 2.723711 3.722933 24 H 2.716942 3.725740 2.528181 3.283787 4.088352 25 H 4.537064 5.360330 4.976156 4.716110 5.782634 26 H 4.628910 5.521073 4.692853 5.132179 6.098806 27 H 5.472172 6.026593 5.780767 6.274541 7.311375 28 Br 4.745805 4.991895 5.483304 5.390656 6.426713 29 C 3.153173 3.471199 2.846192 4.578135 5.202823 30 H 4.103617 4.229323 3.791838 5.584514 6.160597 31 H 3.603551 4.178654 3.195811 4.832339 5.511427 32 H 2.723241 2.975326 2.137357 4.151907 4.578424 33 H 3.256571 2.781255 3.962491 4.380323 5.052707 34 H 2.806853 2.166875 3.080615 4.218023 4.630361 35 H 4.896617 4.534460 4.924936 6.401531 6.922237 36 H 5.167235 4.552993 5.512853 6.514388 7.024465 37 H 5.651673 5.401490 6.186399 6.822470 7.629270 38 H 6.457584 6.215781 6.729060 7.819489 8.554371 39 H 5.459491 5.616316 5.490923 6.812625 7.615788 40 H 6.048808 6.225344 6.353399 7.200973 8.135879 16 17 18 19 20 16 H 0.000000 17 C 2.165320 0.000000 18 C 2.821333 1.533093 0.000000 19 H 2.670060 2.166901 1.100308 0.000000 20 H 3.825707 2.174672 1.097445 1.761501 0.000000 21 H 3.069530 1.099191 2.162786 3.069736 2.474910 22 H 2.477122 1.095553 2.165839 2.473128 2.516142 23 H 2.541571 3.291027 2.744563 2.561086 3.750897 24 H 3.982224 2.754867 2.139201 3.048433 2.474621 25 H 4.751721 4.067686 2.549060 2.435673 2.558552 26 H 5.505347 4.426386 3.114131 3.565637 2.962141 27 H 6.367421 6.035167 4.698893 4.716352 4.891935 28 Br 5.078381 5.606849 4.478725 4.030534 5.093109 29 C 5.165897 4.915239 4.547403 5.134397 5.159127 30 H 6.126591 5.999249 5.609784 6.147985 6.202198 31 H 5.495835 4.822804 4.292935 4.998070 4.689353 32 H 4.875356 4.621700 4.604987 5.285604 5.269497 33 H 4.205249 5.388279 5.077831 4.961338 6.068374 34 H 4.425726 5.312115 5.338349 5.555428 6.305597 35 H 6.659839 7.211547 6.884149 7.146755 7.675173 36 H 6.499066 7.541880 7.251714 7.273558 8.168213 37 H 6.648254 7.510916 6.753642 6.569201 7.525779 38 H 7.847589 8.465809 7.748560 7.768733 8.445448 39 H 7.093901 7.088855 6.250511 6.520563 6.744211 40 H 7.247654 7.412980 6.337018 6.334043 6.799596 21 22 23 24 25 21 H 0.000000 22 H 1.758252 0.000000 23 H 4.001871 4.084673 0.000000 24 H 2.599472 3.761872 3.042561 0.000000 25 H 4.554496 4.642185 3.210050 2.968013 0.000000 26 H 4.508354 5.204238 3.886680 2.283595 1.741181 27 H 6.358725 6.846920 4.044405 4.002516 2.591730 28 Br 6.290419 6.296877 2.720855 4.574224 3.028670 29 C 4.806804 6.008033 3.505302 2.781618 4.659168 30 H 5.877944 7.091429 4.343083 3.823869 5.471062 31 H 4.595730 5.898168 3.878744 2.280000 4.233517 32 H 4.388168 5.704148 3.738569 2.904803 5.264887 33 H 5.921254 6.234040 2.404200 4.710145 5.151101 34 H 5.552164 6.261090 3.178206 4.483467 5.887108 35 H 7.326895 8.246272 4.795355 5.537558 6.647540 36 H 7.876678 8.472983 4.731672 6.365822 7.041009 37 H 8.001305 8.387227 4.320124 6.107557 5.740865 38 H 8.763256 9.441570 5.529123 6.648663 6.711864 39 H 7.192583 8.119792 4.747935 4.774609 5.140773 40 H 7.732802 8.335165 4.717314 5.351719 4.690310 26 27 28 29 30 26 H 0.000000 27 H 2.382239 0.000000 28 Br 3.920252 2.543712 0.000000 29 C 3.818624 4.080763 4.553709 0.000000 30 H 4.555433 4.405386 4.990626 1.090793 0.000000 31 H 3.066047 3.733762 4.746422 1.093916 1.770120 32 H 4.484742 5.070662 5.319811 1.092614 1.765287 33 H 5.488386 4.812490 3.265316 3.495467 3.790079 34 H 5.788652 5.575730 4.673689 2.736361 2.954026 35 H 6.176619 5.326703 5.086137 2.921466 2.227670 36 H 6.990433 5.894518 4.881382 4.152799 3.765157 37 H 5.929779 4.196174 3.094307 4.473869 4.253368 38 H 6.460623 4.746899 4.500556 4.466535 3.839355 39 H 4.402653 3.122343 4.039695 2.798132 2.274529 40 H 4.427979 2.351265 3.015334 4.058758 3.840079 31 32 33 34 35 31 H 0.000000 32 H 1.767172 0.000000 33 H 4.363597 3.761503 0.000000 34 H 3.785126 2.577970 1.758236 0.000000 35 H 3.861722 3.319601 3.071787 2.456226 0.000000 36 H 5.148371 4.466842 2.434899 2.502983 1.749008 37 H 5.124852 5.229797 2.732665 3.855152 3.070949 38 H 5.092079 5.256856 3.863005 4.316366 2.462399 39 H 3.003570 3.826833 4.081760 4.176580 2.726834 40 H 4.186689 5.109612 4.216637 4.974448 3.871084 36 37 38 39 40 36 H 0.000000 37 H 2.463204 0.000000 38 H 2.542888 1.761685 0.000000 39 H 3.843283 3.059499 2.459289 0.000000 40 H 4.328293 2.471671 2.538862 1.758903 0.000000 Stoichiometry C15H24Br(1+) Framework group C1[X(C15H24Br)] Deg. of freedom 114 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -2.624718 0.297644 0.963964 2 6 0 -3.257618 1.098878 -0.191130 3 6 0 -2.397006 2.309576 -0.564942 4 6 0 -0.936953 1.922344 -0.846378 5 6 0 -0.249906 1.090227 0.279641 6 6 0 -1.176010 -0.004559 0.729634 7 6 0 -0.632970 -1.302318 1.156798 8 6 0 0.837844 -1.501996 1.418130 9 6 0 1.788449 -0.403076 0.874314 10 6 0 1.135386 0.520920 -0.184607 11 6 0 2.147968 1.601540 -0.622650 12 1 0 1.709613 2.250232 -1.387818 13 1 0 2.409552 2.244116 0.228811 14 6 0 3.436421 0.966615 -1.173228 15 1 0 4.137486 1.758324 -1.459538 16 1 0 3.202793 0.409871 -2.091764 17 6 0 4.082340 0.023976 -0.151122 18 6 0 3.083900 -1.036251 0.327847 19 1 0 2.826143 -1.705485 -0.506638 20 1 0 3.536590 -1.665449 1.104743 21 1 0 4.439201 0.605101 0.710948 22 1 0 4.963224 -0.463174 -0.583517 23 1 0 0.926041 -0.085654 -1.076658 24 1 0 2.073999 0.232530 1.723008 25 1 0 1.116178 -2.492188 1.039202 26 1 0 0.930941 -1.580543 2.511038 27 1 0 -1.305070 -1.912398 1.759248 28 35 0 -1.194845 -1.763608 -0.777715 29 6 0 -0.086691 1.977632 1.569918 30 1 0 -1.015533 2.482755 1.838121 31 1 0 0.257541 1.409778 2.439227 32 1 0 0.661540 2.743653 1.352737 33 1 0 -0.887564 1.331842 -1.770718 34 1 0 -0.346442 2.826116 -1.018571 35 1 0 -2.447103 3.061359 0.232401 36 1 0 -2.810468 2.792269 -1.457151 37 1 0 -3.363545 0.426491 -1.051473 38 1 0 -4.265976 1.406711 0.101055 39 1 0 -2.650604 0.902318 1.885505 40 1 0 -3.181602 -0.619203 1.180696 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6013064 0.3605915 0.2831046 Standard basis: 6-31G(d) (6D, 7F) AO basis set in the form of general basis input (Overlap normalization): 1 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 2 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 3 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 4 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 5 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 6 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 7 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 8 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 9 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 10 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 11 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 12 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 13 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 14 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 15 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 16 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 17 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 18 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 19 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 20 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 21 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 22 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 23 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 24 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 25 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 26 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 27 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 28 0 S 8 1.00 0.000000000000 0.5743000000D+06 0.2106827531D-03 0.8907000000D+05 0.1612717209D-02 0.2021000000D+05 0.8360109593D-02 0.5736000000D+04 0.3402755882D-01 0.1899000000D+04 0.1085150006D+00 0.6987000000D+03 0.2673969444D+00 0.2778000000D+03 0.4295672215D+00 0.1152000000D+03 0.2869931170D+00 S 2 1.00 0.000000000000 0.3597000000D+02 0.2777729144D+00 0.1550000000D+02 0.7470576360D+00 S 1 1.00 0.000000000000 0.4771000000D+01 0.1000000000D+01 S 1 1.00 0.000000000000 0.2077000000D+01 0.1000000000D+01 S 1 1.00 0.000000000000 0.4211000000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.1610000000D+00 0.1000000000D+01 P 6 1.00 0.000000000000 0.4406000000D+04 0.1395526229D-02 0.1042000000D+04 0.1237482833D-01 0.3321000000D+03 0.6101752413D-01 0.1219000000D+03 0.2267755466D+00 0.4924000000D+02 0.4059758745D+00 0.2116000000D+02 0.4506923223D+00 P 3 1.00 0.000000000000 0.8836000000D+01 0.2920185849D+00 0.3829000000D+01 0.5302208617D+00 0.1643000000D+01 0.2752874045D+00 P 1 1.00 0.000000000000 0.4650000000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.1427000000D+00 0.1000000000D+01 D 5 1.00 0.000000000000 0.1084000000D+03 0.2158793714D-01 0.3071000000D+02 0.1341760360D+00 0.1066000000D+02 0.3678706466D+00 0.3851000000D+01 0.4918952062D+00 0.1317000000D+01 0.2683219787D+00 D 1 1.00 0.000000000000 0.3380000000D+00 0.1000000000D+01 **** 29 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 30 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 31 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 32 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 33 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 34 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 35 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 36 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 37 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 38 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 39 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 40 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** There are 303 symmetry adapted cartesian basis functions of A symmetry. There are 303 symmetry adapted basis functions of A symmetry. 303 basis functions, 599 primitive gaussians, 303 cartesian basis functions 74 alpha electrons 74 beta electrons nuclear repulsion energy 1662.3219777784 Hartrees. NAtoms= 40 NActive= 40 NUniq= 40 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 303 RedAO= T EigKep= 7.20D-04 NBF= 303 NBsUse= 303 1.00D-06 EigRej= -1.00D+00 NBFU= 303 ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. EnCoef did 100 forward-backward iterations Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -3157.51278497 A.U. after 16 cycles NFock= 16 Conv=0.33D-08 -V/T= 2.0069 ********************************************************************** Population analysis using the SCF Density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -483.10224 -62.06303 -56.58288 -56.57931 -56.57828 Alpha occ. eigenvalues -- -10.45091 -10.43646 -10.36874 -10.35810 -10.34887 Alpha occ. eigenvalues -- -10.33283 -10.32712 -10.32623 -10.32605 -10.32331 Alpha occ. eigenvalues -- -10.31467 -10.29930 -10.29650 -10.28519 -10.28299 Alpha occ. eigenvalues -- -8.77216 -6.72590 -6.71413 -6.71066 -2.84148 Alpha occ. eigenvalues -- -2.83899 -2.83620 -2.82684 -2.82666 -1.06253 Alpha occ. eigenvalues -- -0.97951 -0.96756 -0.92147 -0.91361 -0.89663 Alpha occ. eigenvalues -- -0.85710 -0.85238 -0.83242 -0.78915 -0.77259 Alpha occ. eigenvalues -- -0.74961 -0.72077 -0.70280 -0.67713 -0.66530 Alpha occ. eigenvalues -- -0.64526 -0.62919 -0.61603 -0.59812 -0.58671 Alpha occ. eigenvalues -- -0.58111 -0.57473 -0.56699 -0.55460 -0.54802 Alpha occ. eigenvalues -- -0.54559 -0.53825 -0.52724 -0.51923 -0.50938 Alpha occ. eigenvalues -- -0.50148 -0.49516 -0.48979 -0.48534 -0.47438 Alpha occ. eigenvalues -- -0.46930 -0.46119 -0.45884 -0.45675 -0.45104 Alpha occ. eigenvalues -- -0.44364 -0.42937 -0.41681 -0.41212 Alpha virt. eigenvalues -- -0.25558 -0.19300 -0.06888 -0.04806 -0.03771 Alpha virt. eigenvalues -- -0.02346 -0.01771 -0.01399 -0.00560 0.00262 Alpha virt. eigenvalues -- 0.00322 0.00793 0.01109 0.01946 0.02629 Alpha virt. eigenvalues -- 0.03257 0.04000 0.04299 0.04540 0.04858 Alpha virt. eigenvalues -- 0.05283 0.05744 0.06303 0.06567 0.07274 Alpha virt. eigenvalues -- 0.08085 0.08703 0.09363 0.09731 0.10212 Alpha virt. eigenvalues -- 0.11056 0.11503 0.12503 0.13228 0.14010 Alpha virt. eigenvalues -- 0.14451 0.15375 0.16122 0.16339 0.17844 Alpha virt. eigenvalues -- 0.17972 0.19563 0.21392 0.23240 0.25537 Alpha virt. eigenvalues -- 0.26075 0.27287 0.29789 0.32550 0.33478 Alpha virt. eigenvalues -- 0.34608 0.35739 0.36940 0.37933 0.39303 Alpha virt. eigenvalues -- 0.39940 0.41235 0.42322 0.43341 0.44322 Alpha virt. eigenvalues -- 0.45844 0.46788 0.47459 0.47639 0.48778 Alpha virt. eigenvalues -- 0.51729 0.52461 0.52593 0.53138 0.53934 Alpha virt. eigenvalues -- 0.54731 0.56078 0.57013 0.58514 0.58649 Alpha virt. eigenvalues -- 0.59193 0.60983 0.62197 0.63311 0.64918 Alpha virt. eigenvalues -- 0.66964 0.67032 0.67708 0.69463 0.70252 Alpha virt. eigenvalues -- 0.71526 0.71869 0.72283 0.73498 0.74098 Alpha virt. eigenvalues -- 0.74537 0.74975 0.76462 0.76736 0.77786 Alpha virt. eigenvalues -- 0.78374 0.79007 0.79365 0.80103 0.80954 Alpha virt. eigenvalues -- 0.81501 0.81869 0.82400 0.83294 0.83779 Alpha virt. eigenvalues -- 0.84533 0.85711 0.86394 0.87171 0.87752 Alpha virt. eigenvalues -- 0.88205 0.90163 0.91760 0.92471 0.96661 Alpha virt. eigenvalues -- 0.97804 1.00885 1.03147 1.04177 1.07436 Alpha virt. eigenvalues -- 1.09115 1.10864 1.12141 1.16048 1.18319 Alpha virt. eigenvalues -- 1.19465 1.23621 1.27740 1.30118 1.31006 Alpha virt. eigenvalues -- 1.36691 1.37724 1.41036 1.41798 1.44717 Alpha virt. eigenvalues -- 1.46826 1.46959 1.50386 1.51207 1.54115 Alpha virt. eigenvalues -- 1.56761 1.57787 1.59594 1.62394 1.62631 Alpha virt. eigenvalues -- 1.64216 1.66172 1.67430 1.68232 1.69550 Alpha virt. eigenvalues -- 1.71305 1.73755 1.74677 1.76103 1.76468 Alpha virt. eigenvalues -- 1.78518 1.79754 1.80603 1.81475 1.82678 Alpha virt. eigenvalues -- 1.83698 1.85861 1.86663 1.89030 1.89826 Alpha virt. eigenvalues -- 1.90574 1.91725 1.92077 1.93508 1.96758 Alpha virt. eigenvalues -- 1.97447 1.98872 1.99912 2.02352 2.03317 Alpha virt. eigenvalues -- 2.05267 2.10116 2.12292 2.13761 2.15087 Alpha virt. eigenvalues -- 2.16550 2.17472 2.20090 2.20579 2.22381 Alpha virt. eigenvalues -- 2.23622 2.24989 2.26239 2.26904 2.27553 Alpha virt. eigenvalues -- 2.28947 2.29510 2.31624 2.32483 2.35224 Alpha virt. eigenvalues -- 2.36909 2.44300 2.45322 2.47026 2.49846 Alpha virt. eigenvalues -- 2.50125 2.53545 2.56469 2.58031 2.59953 Alpha virt. eigenvalues -- 2.63131 2.66446 2.67080 2.72690 2.75728 Alpha virt. eigenvalues -- 2.81373 2.83664 3.95325 4.03291 4.06559 Alpha virt. eigenvalues -- 4.10601 4.13545 4.16587 4.24372 4.26978 Alpha virt. eigenvalues -- 4.33962 4.41813 4.44174 4.45501 4.47974 Alpha virt. eigenvalues -- 4.56187 4.66226 8.53476 74.75363 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -483.10224 -62.06303 -56.58288 -56.57931 -56.57828 1 1 C 1S -0.00002 -0.00016 0.00026 0.00013 -0.00014 2 2S -0.00013 -0.00112 0.00097 0.00045 -0.00066 3 2PX 0.00001 0.00012 0.00007 0.00003 0.00000 4 2PY -0.00001 -0.00008 -0.00030 -0.00018 0.00013 5 2PZ 0.00007 0.00063 -0.00047 -0.00037 0.00025 6 3S 0.00041 0.00360 -0.00719 -0.00044 0.00399 7 3PX 0.00024 0.00208 -0.00178 0.00066 0.00187 8 3PY -0.00031 -0.00274 0.00251 0.00335 -0.00154 9 3PZ -0.00055 -0.00477 0.00367 0.00134 -0.00212 10 4XX -0.00000 -0.00005 0.00044 0.00025 -0.00001 11 4YY 0.00001 0.00011 0.00031 0.00013 -0.00018 12 4ZZ -0.00001 -0.00007 0.00051 0.00035 -0.00025 13 4XY -0.00003 -0.00028 0.00011 0.00021 -0.00011 14 4XZ -0.00003 -0.00027 0.00016 0.00003 -0.00010 15 4YZ 0.00004 0.00032 0.00002 -0.00007 -0.00004 16 2 C 1S -0.00001 -0.00005 0.00002 -0.00001 0.00005 17 2S -0.00002 -0.00016 -0.00002 -0.00010 0.00021 18 2PX -0.00007 -0.00062 0.00026 0.00033 -0.00009 19 2PY 0.00004 0.00037 -0.00011 -0.00013 0.00003 20 2PZ -0.00004 -0.00032 0.00010 0.00014 -0.00015 21 3S -0.00011 -0.00106 0.00098 0.00096 -0.00207 22 3PX 0.00045 0.00389 -0.00069 -0.00177 -0.00025 23 3PY 0.00028 0.00242 -0.00197 -0.00137 0.00105 24 3PZ 0.00017 0.00148 0.00028 -0.00113 0.00072 25 4XX -0.00002 -0.00017 0.00009 0.00009 0.00006 26 4YY -0.00002 -0.00018 0.00021 0.00011 -0.00004 27 4ZZ 0.00001 0.00006 -0.00003 -0.00015 0.00013 28 4XY 0.00002 0.00014 -0.00015 -0.00014 0.00005 29 4XZ 0.00001 0.00007 0.00003 -0.00008 -0.00003 30 4YZ -0.00001 -0.00006 0.00000 0.00001 -0.00000 31 3 C 1S 0.00003 0.00022 -0.00006 -0.00009 0.00001 32 2S 0.00011 0.00094 -0.00025 -0.00038 0.00003 33 2PX 0.00000 0.00002 0.00004 -0.00004 -0.00005 34 2PY -0.00002 -0.00018 0.00002 0.00007 -0.00002 35 2PZ -0.00001 -0.00006 0.00002 0.00007 0.00003 36 3S -0.00077 -0.00653 0.00199 0.00302 -0.00021 37 3PX -0.00012 -0.00100 -0.00059 0.00064 0.00009 38 3PY 0.00044 0.00378 -0.00104 -0.00114 -0.00010 39 3PZ -0.00008 -0.00070 0.00011 0.00015 -0.00031 40 4XX 0.00005 0.00039 -0.00012 -0.00014 0.00002 41 4YY -0.00000 -0.00002 0.00000 -0.00004 0.00003 42 4ZZ 0.00006 0.00046 -0.00010 -0.00024 -0.00001 43 4XY 0.00002 0.00020 -0.00002 -0.00005 0.00000 44 4XZ 0.00001 0.00004 -0.00001 -0.00003 0.00003 45 4YZ 0.00001 0.00010 -0.00004 -0.00006 0.00002 46 4 C 1S -0.00001 -0.00012 0.00004 -0.00002 -0.00002 47 2S -0.00005 -0.00039 0.00013 -0.00014 -0.00008 48 2PX -0.00000 -0.00002 -0.00000 -0.00000 0.00003 49 2PY 0.00008 0.00071 -0.00027 -0.00023 -0.00007 50 2PZ -0.00004 -0.00031 0.00003 0.00012 0.00008 51 3S 0.00005 0.00036 0.00058 0.00052 0.00113 52 3PX -0.00031 -0.00266 0.00062 0.00130 0.00002 53 3PY -0.00020 -0.00172 0.00084 -0.00096 -0.00021 54 3PZ 0.00023 0.00197 0.00008 -0.00162 -0.00005 55 4XX -0.00002 -0.00018 0.00007 -0.00005 -0.00005 56 4YY -0.00006 -0.00048 0.00020 0.00027 0.00002 57 4ZZ -0.00000 -0.00000 -0.00003 -0.00025 -0.00003 58 4XY -0.00001 -0.00009 0.00002 -0.00004 0.00002 59 4XZ 0.00000 0.00003 -0.00002 -0.00004 -0.00002 60 4YZ 0.00000 0.00001 0.00001 -0.00007 -0.00000 61 5 C 1S -0.00000 -0.00003 0.00006 0.00015 0.00006 62 2S 0.00000 0.00001 -0.00026 0.00050 0.00012 63 2PX 0.00002 0.00021 -0.00005 0.00004 0.00003 64 2PY 0.00003 0.00027 -0.00057 -0.00037 -0.00011 65 2PZ 0.00007 0.00059 -0.00031 -0.00043 -0.00013 66 3S -0.00079 -0.00679 0.00488 -0.00323 -0.00038 67 3PX -0.00012 -0.00097 0.00029 -0.00301 0.00052 68 3PY 0.00013 0.00108 -0.00196 0.00496 -0.00031 69 3PZ -0.00063 -0.00547 0.00322 0.00376 0.00083 70 4XX -0.00003 -0.00025 0.00019 0.00027 0.00016 71 4YY -0.00001 -0.00009 0.00053 0.00007 0.00016 72 4ZZ -0.00002 -0.00015 0.00037 0.00041 0.00011 73 4XY 0.00002 0.00018 -0.00004 0.00005 -0.00011 74 4XZ -0.00001 -0.00011 0.00003 0.00009 0.00008 75 4YZ 0.00002 0.00014 0.00003 0.00011 0.00010 76 6 C 1S 0.00000 0.00001 -0.00015 -0.00030 0.00008 77 2S 0.00017 0.00142 0.00027 -0.00111 0.00045 78 2PX -0.00002 -0.00017 -0.00009 -0.00010 -0.00021 79 2PY -0.00001 -0.00007 0.00117 0.00061 -0.00004 80 2PZ -0.00001 -0.00012 0.00058 0.00031 -0.00003 81 3S 0.00069 0.00591 -0.00612 0.01178 -0.00500 82 3PX 0.00087 0.00743 -0.00747 0.00462 0.00203 83 3PY -0.00008 -0.00061 0.00121 -0.00803 0.00130 84 3PZ 0.00012 0.00094 -0.00026 0.00034 0.00014 85 4XX -0.00002 -0.00018 -0.00066 -0.00039 -0.00009 86 4YY -0.00012 -0.00102 -0.00091 -0.00015 0.00011 87 4ZZ -0.00009 -0.00072 -0.00066 -0.00086 0.00012 88 4XY 0.00000 0.00003 -0.00004 -0.00031 0.00020 89 4XZ -0.00001 -0.00007 0.00014 -0.00004 0.00003 90 4YZ -0.00010 -0.00081 -0.00038 -0.00036 -0.00007 91 7 C 1S 0.00002 0.00021 -0.00069 0.00033 -0.00008 92 2S 0.00023 0.00195 -0.00317 0.00169 -0.00037 93 2PX 0.00006 0.00050 0.00005 0.00020 -0.00016 94 2PY 0.00011 0.00092 -0.00044 -0.00028 -0.00004 95 2PZ 0.00016 0.00137 0.00113 -0.00016 0.00032 96 3S -0.00063 -0.00530 0.01463 -0.01490 0.00343 97 3PX -0.00078 -0.00675 0.00602 -0.00038 0.00136 98 3PY -0.00065 -0.00556 0.00643 -0.00599 0.00116 99 3PZ -0.00026 -0.00221 -0.00473 0.00406 -0.00130 100 4XX -0.00005 -0.00040 -0.00128 0.00030 0.00016 101 4YY -0.00003 -0.00024 -0.00099 0.00025 -0.00008 102 4ZZ -0.00016 -0.00135 -0.00041 0.00025 -0.00029 103 4XY -0.00002 -0.00020 -0.00023 0.00021 -0.00006 104 4XZ -0.00006 -0.00056 0.00056 -0.00024 0.00008 105 4YZ -0.00008 -0.00067 0.00010 0.00026 -0.00002 106 8 C 1S -0.00003 -0.00026 0.00049 -0.00015 0.00018 107 2S -0.00021 -0.00183 0.00212 -0.00080 0.00084 108 2PX -0.00002 -0.00017 -0.00002 -0.00015 -0.00005 109 2PY -0.00003 -0.00028 -0.00006 -0.00002 0.00000 110 2PZ 0.00002 0.00020 -0.00050 0.00019 -0.00028 111 3S 0.00106 0.00919 -0.01709 0.00547 -0.00511 112 3PX -0.00050 -0.00430 0.00188 -0.00074 0.00102 113 3PY 0.00061 0.00522 -0.00452 0.00249 -0.00153 114 3PZ -0.00044 -0.00389 0.00756 -0.00310 0.00292 115 4XX 0.00002 0.00018 0.00061 -0.00003 0.00013 116 4YY -0.00001 -0.00010 0.00046 -0.00009 0.00018 117 4ZZ 0.00000 0.00000 0.00072 -0.00022 0.00032 118 4XY -0.00001 -0.00011 0.00006 -0.00010 0.00004 119 4XZ 0.00005 0.00044 -0.00017 0.00015 -0.00012 120 4YZ -0.00000 -0.00003 0.00023 -0.00010 0.00006 121 9 C 1S 0.00000 0.00005 -0.00032 0.00006 -0.00010 122 2S 0.00007 0.00060 -0.00173 0.00040 -0.00059 123 2PX 0.00003 0.00024 -0.00028 0.00010 -0.00013 124 2PY 0.00003 0.00026 0.00013 -0.00005 -0.00003 125 2PZ 0.00002 0.00018 0.00017 -0.00007 0.00003 126 3S -0.00073 -0.00644 0.01537 -0.00414 0.00489 127 3PX 0.00061 0.00526 -0.00536 0.00128 -0.00247 128 3PY -0.00026 -0.00219 -0.00299 0.00126 -0.00030 129 3PZ -0.00001 0.00001 -0.00364 0.00078 -0.00110 130 4XX -0.00004 -0.00034 0.00009 -0.00003 0.00010 131 4YY -0.00002 -0.00014 -0.00024 -0.00002 -0.00005 132 4ZZ -0.00001 -0.00003 -0.00038 0.00007 -0.00014 133 4XY -0.00001 -0.00010 0.00013 -0.00009 0.00003 134 4XZ -0.00003 -0.00024 0.00014 0.00003 0.00015 135 4YZ -0.00001 -0.00005 -0.00005 0.00002 0.00003 136 10 C 1S -0.00000 -0.00000 0.00021 -0.00013 -0.00001 137 2S -0.00003 -0.00028 0.00070 -0.00074 -0.00005 138 2PX 0.00004 0.00034 -0.00054 -0.00024 -0.00036 139 2PY 0.00003 0.00029 -0.00058 -0.00004 -0.00027 140 2PZ -0.00007 -0.00061 0.00017 0.00011 0.00028 141 3S -0.00013 -0.00114 -0.00510 0.00792 0.00137 142 3PX -0.00023 -0.00201 0.00251 -0.00142 0.00185 143 3PY -0.00027 -0.00245 0.00690 0.00060 0.00266 144 3PZ 0.00102 0.00879 -0.00490 -0.00023 -0.00383 145 4XX 0.00002 0.00015 0.00055 0.00009 0.00001 146 4YY 0.00001 0.00008 0.00033 -0.00011 0.00004 147 4ZZ 0.00001 0.00009 0.00020 -0.00013 -0.00006 148 4XY -0.00001 -0.00009 0.00039 -0.00003 0.00021 149 4XZ 0.00000 0.00000 -0.00006 -0.00000 -0.00004 150 4YZ -0.00001 -0.00012 0.00003 -0.00004 0.00005 151 11 C 1S -0.00000 -0.00003 0.00007 0.00005 0.00005 152 2S -0.00004 -0.00031 0.00049 0.00029 0.00035 153 2PX -0.00002 -0.00018 0.00011 0.00005 0.00014 154 2PY -0.00003 -0.00028 0.00011 0.00007 0.00017 155 2PZ -0.00000 -0.00002 -0.00009 0.00001 0.00001 156 3S 0.00046 0.00401 -0.00464 -0.00217 -0.00355 157 3PX -0.00017 -0.00146 0.00216 0.00072 0.00110 158 3PY -0.00011 -0.00096 0.00141 0.00063 0.00093 159 3PZ -0.00011 -0.00094 0.00040 -0.00035 -0.00011 160 4XX 0.00002 0.00017 -0.00012 -0.00001 -0.00008 161 4YY 0.00002 0.00014 -0.00003 0.00001 -0.00007 162 4ZZ -0.00002 -0.00016 0.00013 0.00006 0.00009 163 4XY 0.00001 0.00012 -0.00017 -0.00009 -0.00011 164 4XZ 0.00002 0.00015 0.00002 0.00002 -0.00002 165 4YZ 0.00001 0.00009 0.00005 0.00001 0.00001 166 12 H 1S -0.00002 -0.00014 0.00023 0.00008 0.00010 167 2S -0.00008 -0.00069 0.00041 -0.00001 0.00025 168 13 H 1S 0.00000 0.00000 0.00002 0.00010 0.00007 169 2S 0.00001 0.00004 -0.00026 0.00011 0.00020 170 14 C 1S -0.00001 -0.00005 -0.00000 -0.00000 0.00002 171 2S -0.00002 -0.00019 -0.00001 -0.00003 0.00007 172 2PX -0.00001 -0.00005 0.00001 -0.00001 0.00001 173 2PY -0.00000 -0.00003 0.00012 -0.00001 0.00005 174 2PZ -0.00000 -0.00002 0.00003 0.00002 0.00001 175 3S 0.00012 0.00102 -0.00034 0.00036 -0.00044 176 3PX 0.00005 0.00048 -0.00067 -0.00023 -0.00033 177 3PY -0.00002 -0.00018 -0.00053 -0.00016 -0.00008 178 3PZ 0.00002 0.00018 -0.00062 0.00019 -0.00002 179 4XX -0.00001 -0.00011 0.00005 0.00002 0.00005 180 4YY -0.00001 -0.00007 -0.00003 -0.00002 0.00002 181 4ZZ -0.00001 -0.00010 -0.00001 0.00004 0.00006 182 4XY 0.00001 0.00007 -0.00001 -0.00001 -0.00004 183 4XZ -0.00001 -0.00004 0.00003 -0.00001 0.00001 184 4YZ -0.00001 -0.00005 0.00002 0.00000 0.00003 185 15 H 1S -0.00001 -0.00012 0.00011 0.00003 0.00009 186 2S -0.00001 -0.00006 0.00022 -0.00003 0.00006 187 16 H 1S 0.00003 0.00024 -0.00015 -0.00007 -0.00015 188 2S -0.00010 -0.00089 -0.00025 0.00014 0.00045 189 17 C 1S 0.00000 0.00001 -0.00005 0.00003 -0.00001 190 2S 0.00001 0.00007 -0.00025 0.00014 -0.00007 191 2PX 0.00000 0.00004 -0.00001 0.00001 -0.00002 192 2PY -0.00000 -0.00001 -0.00009 -0.00000 -0.00003 193 2PZ 0.00001 0.00005 -0.00002 -0.00000 -0.00002 194 3S -0.00008 -0.00069 0.00159 -0.00107 0.00047 195 3PX -0.00001 -0.00008 -0.00069 0.00052 -0.00008 196 3PY -0.00002 -0.00017 0.00042 0.00027 0.00020 197 3PZ -0.00000 -0.00003 0.00018 -0.00006 0.00008 198 4XX 0.00000 0.00001 -0.00002 -0.00001 -0.00001 199 4YY -0.00000 -0.00002 -0.00003 0.00003 0.00001 200 4ZZ -0.00000 -0.00002 -0.00007 0.00003 0.00000 201 4XY -0.00000 -0.00001 0.00008 -0.00005 0.00002 202 4XZ 0.00001 0.00005 -0.00002 0.00001 -0.00002 203 4YZ -0.00000 -0.00001 -0.00001 0.00001 0.00001 204 18 C 1S 0.00002 0.00014 -0.00002 0.00001 -0.00004 205 2S 0.00005 0.00042 0.00017 -0.00008 -0.00006 206 2PX -0.00001 -0.00010 0.00033 -0.00012 0.00012 207 2PY -0.00002 -0.00016 0.00002 -0.00007 0.00005 208 2PZ -0.00001 -0.00005 -0.00013 0.00004 -0.00001 209 3S -0.00049 -0.00412 -0.00202 0.00092 0.00056 210 3PX 0.00017 0.00141 0.00101 -0.00006 -0.00005 211 3PY 0.00005 0.00046 -0.00078 0.00081 -0.00033 212 3PZ -0.00006 -0.00055 0.00103 -0.00036 0.00040 213 4XX 0.00003 0.00021 -0.00034 0.00013 -0.00015 214 4YY 0.00004 0.00033 -0.00011 0.00005 -0.00013 215 4ZZ 0.00003 0.00023 -0.00004 0.00002 -0.00007 216 4XY -0.00000 -0.00001 -0.00000 0.00001 0.00001 217 4XZ -0.00000 -0.00000 -0.00002 -0.00002 -0.00002 218 4YZ -0.00001 -0.00006 0.00006 -0.00004 0.00004 219 19 H 1S 0.00001 0.00009 -0.00001 -0.00002 -0.00000 220 2S 0.00008 0.00068 0.00061 0.00012 -0.00006 221 20 H 1S 0.00002 0.00018 0.00001 0.00001 -0.00005 222 2S 0.00006 0.00050 -0.00069 0.00036 -0.00030 223 21 H 1S 0.00001 0.00008 -0.00016 0.00005 -0.00007 224 2S 0.00000 0.00004 -0.00013 -0.00008 -0.00006 225 22 H 1S 0.00000 0.00003 0.00002 0.00002 -0.00000 226 2S -0.00000 -0.00003 0.00014 0.00001 0.00005 227 23 H 1S -0.00002 -0.00018 0.00066 -0.00018 0.00055 228 2S 0.00096 0.00830 -0.00093 -0.00144 -0.00396 229 24 H 1S 0.00005 0.00041 -0.00016 0.00000 -0.00010 230 2S 0.00002 0.00015 0.00120 -0.00032 0.00036 231 25 H 1S -0.00011 -0.00096 0.00109 -0.00058 0.00054 232 2S 0.00047 0.00400 0.00024 0.00094 -0.00045 233 26 H 1S -0.00000 -0.00001 -0.00002 0.00009 -0.00004 234 2S 0.00015 0.00131 -0.00150 0.00066 -0.00090 235 27 H 1S -0.00005 -0.00040 0.00069 -0.00003 -0.00007 236 2S 0.00005 0.00045 0.00112 -0.00037 0.00142 237 28 Br 1S 0.99484 -0.42130 0.00005 -0.00012 -0.00008 238 2S 0.03230 1.16789 -0.00231 -0.00031 -0.00019 239 3S -0.04335 -0.28186 0.00537 0.00151 0.00096 240 4S -0.04365 -0.40194 0.00335 0.00098 0.00059 241 5S -0.02386 -0.20460 -0.00499 -0.00131 -0.00152 242 6S -0.02233 -0.19207 0.02473 0.00737 0.00584 243 7PX 0.00001 0.00017 0.21179 -0.36176 0.88256 244 7PY 0.00002 0.00036 0.44690 0.83629 0.23552 245 7PZ 0.00002 0.00079 0.84251 -0.35269 -0.34685 246 8PX -0.00003 -0.00023 0.01347 -0.02275 0.05543 247 8PY -0.00008 -0.00065 0.02834 0.05257 0.01480 248 8PZ -0.00007 -0.00054 0.05326 -0.02211 -0.02168 249 9PX 0.00014 0.00120 -0.00488 0.00715 -0.01727 250 9PY 0.00038 0.00326 -0.00999 -0.01646 -0.00472 251 9PZ 0.00034 0.00291 -0.01796 0.00665 0.00622 252 10PX -0.00030 -0.00255 0.00261 -0.00303 0.00871 253 10PY -0.00071 -0.00612 0.00614 0.00805 0.00291 254 10PZ -0.00082 -0.00711 0.00948 -0.00210 -0.00255 255 11XX 0.04165 0.36284 -0.00509 -0.00144 -0.00091 256 11YY 0.04165 0.36288 -0.00514 -0.00143 -0.00092 257 11ZZ 0.04165 0.36294 -0.00511 -0.00147 -0.00089 258 11XY 0.00000 0.00004 -0.00001 -0.00000 -0.00006 259 11XZ 0.00000 0.00004 -0.00000 -0.00002 -0.00001 260 11YZ 0.00001 0.00009 -0.00006 -0.00000 -0.00001 261 12XX 0.01153 0.09901 -0.00817 -0.00208 -0.00158 262 12YY 0.01151 0.09884 -0.00775 -0.00232 -0.00143 263 12ZZ 0.01144 0.09816 -0.00816 -0.00178 -0.00193 264 12XY -0.00003 -0.00030 0.00005 0.00009 0.00044 265 12XZ -0.00002 -0.00020 -0.00021 0.00024 0.00014 266 12YZ -0.00005 -0.00045 0.00027 0.00009 0.00012 267 29 C 1S 0.00000 -0.00000 0.00001 0.00005 -0.00000 268 2S -0.00001 -0.00008 0.00016 0.00034 0.00001 269 2PX -0.00000 -0.00002 0.00008 0.00004 -0.00002 270 2PY -0.00002 -0.00019 0.00017 0.00007 -0.00002 271 2PZ -0.00002 -0.00016 0.00010 0.00009 0.00004 272 3S 0.00033 0.00286 -0.00173 -0.00313 -0.00005 273 3PX 0.00001 0.00004 -0.00031 0.00053 0.00013 274 3PY -0.00011 -0.00095 0.00034 0.00034 0.00039 275 3PZ -0.00013 -0.00110 0.00070 0.00146 -0.00005 276 4XX -0.00000 -0.00001 -0.00003 0.00006 0.00002 277 4YY 0.00001 0.00012 -0.00007 0.00006 -0.00007 278 4ZZ 0.00000 0.00003 -0.00008 -0.00009 -0.00002 279 4XY -0.00000 -0.00001 -0.00003 -0.00006 -0.00000 280 4XZ 0.00001 0.00005 -0.00002 -0.00010 -0.00002 281 4YZ 0.00002 0.00017 -0.00014 -0.00010 -0.00003 282 30 H 1S -0.00001 -0.00011 0.00002 0.00013 0.00002 283 2S 0.00003 0.00028 -0.00014 0.00017 -0.00012 284 31 H 1S -0.00001 -0.00008 0.00005 0.00007 0.00005 285 2S 0.00001 0.00006 -0.00008 -0.00027 -0.00005 286 32 H 1S -0.00000 -0.00001 0.00006 0.00008 -0.00005 287 2S -0.00004 -0.00033 0.00045 0.00024 -0.00016 288 33 H 1S -0.00012 -0.00099 0.00029 0.00035 0.00014 289 2S 0.00035 0.00300 -0.00030 -0.00223 -0.00072 290 34 H 1S 0.00004 0.00035 -0.00015 -0.00014 -0.00004 291 2S 0.00016 0.00135 -0.00039 -0.00010 -0.00008 292 35 H 1S 0.00003 0.00022 -0.00005 -0.00008 0.00005 293 2S -0.00008 -0.00066 0.00013 0.00016 0.00012 294 36 H 1S 0.00002 0.00020 -0.00010 -0.00011 -0.00001 295 2S -0.00007 -0.00059 0.00001 0.00011 -0.00007 296 37 H 1S -0.00010 -0.00084 -0.00003 0.00045 -0.00001 297 2S 0.00064 0.00554 -0.00085 -0.00294 0.00143 298 38 H 1S 0.00005 0.00041 -0.00005 -0.00020 0.00002 299 2S 0.00015 0.00134 -0.00046 -0.00059 0.00006 300 39 H 1S 0.00004 0.00037 -0.00022 -0.00022 0.00008 301 2S 0.00025 0.00219 -0.00136 -0.00111 0.00083 302 40 H 1S -0.00009 -0.00082 0.00077 0.00042 -0.00057 303 2S 0.00023 0.00193 0.00011 0.00125 0.00064 6 7 8 9 10 O O O O O Eigenvalues -- -10.45091 -10.43646 -10.36874 -10.35810 -10.34887 1 1 C 1S 0.00134 -0.00011 -0.00057 0.99308 -0.00003 2 2S -0.00022 -0.00021 -0.00052 0.05079 -0.00006 3 2PX -0.00011 -0.00001 -0.00006 0.00050 0.00000 4 2PY -0.00000 0.00006 -0.00007 0.00004 0.00001 5 2PZ 0.00002 -0.00004 0.00002 -0.00001 0.00001 6 3S 0.00424 0.00201 0.00410 -0.02266 0.00007 7 3PX 0.00193 0.00069 0.00134 -0.00239 0.00014 8 3PY -0.00110 -0.00004 -0.00063 -0.00064 -0.00009 9 3PZ -0.00003 -0.00031 -0.00029 0.00139 -0.00005 10 4XX -0.00048 -0.00003 -0.00009 -0.00893 0.00003 11 4YY -0.00011 -0.00004 -0.00005 -0.00881 -0.00000 12 4ZZ -0.00013 -0.00010 -0.00015 -0.00893 -0.00001 13 4XY 0.00004 0.00002 -0.00008 0.00008 -0.00001 14 4XZ 0.00004 -0.00008 0.00001 0.00000 -0.00000 15 4YZ 0.00005 -0.00004 -0.00004 0.00008 -0.00001 16 2 C 1S -0.00011 -0.00001 0.00007 0.00298 0.00000 17 2S -0.00036 -0.00006 0.00026 -0.00020 0.00000 18 2PX -0.00012 -0.00001 0.00004 -0.00003 0.00001 19 2PY 0.00010 -0.00002 -0.00004 -0.00002 -0.00002 20 2PZ -0.00002 -0.00003 -0.00012 0.00002 -0.00001 21 3S 0.00158 0.00004 -0.00133 0.00511 0.00007 22 3PX 0.00078 0.00014 -0.00104 0.00126 -0.00008 23 3PY -0.00023 0.00021 0.00054 -0.00154 0.00015 24 3PZ -0.00007 0.00001 0.00036 0.00154 0.00005 25 4XX -0.00006 0.00003 0.00000 -0.00021 0.00001 26 4YY -0.00015 -0.00001 0.00005 -0.00023 -0.00000 27 4ZZ -0.00010 -0.00002 0.00006 -0.00032 0.00000 28 4XY -0.00001 -0.00000 0.00000 0.00002 0.00001 29 4XZ 0.00002 0.00000 -0.00005 -0.00003 -0.00001 30 4YZ -0.00002 -0.00002 -0.00003 0.00014 -0.00000 31 3 C 1S 0.00003 -0.00001 -0.00010 -0.00015 0.00001 32 2S 0.00015 -0.00002 -0.00019 -0.00033 0.00002 33 2PX -0.00003 -0.00002 -0.00019 0.00007 -0.00001 34 2PY 0.00009 0.00002 0.00003 0.00011 0.00001 35 2PZ 0.00000 -0.00001 -0.00004 -0.00015 0.00001 36 3S -0.00162 0.00009 0.00062 0.00119 -0.00016 37 3PX -0.00028 0.00025 0.00033 0.00029 0.00006 38 3PY 0.00035 0.00009 -0.00009 -0.00042 0.00001 39 3PZ -0.00007 -0.00003 0.00017 0.00068 -0.00008 40 4XX 0.00005 -0.00001 -0.00009 -0.00008 0.00000 41 4YY -0.00003 -0.00002 -0.00007 -0.00006 0.00000 42 4ZZ 0.00003 -0.00003 -0.00005 -0.00009 0.00000 43 4XY 0.00003 -0.00000 0.00001 -0.00001 -0.00000 44 4XZ -0.00000 -0.00000 0.00001 0.00003 0.00000 45 4YZ -0.00001 -0.00001 -0.00005 -0.00005 0.00000 46 4 C 1S -0.00010 -0.00002 0.00188 0.00006 -0.00002 47 2S -0.00036 -0.00011 -0.00026 0.00022 -0.00004 48 2PX -0.00000 0.00002 0.00013 -0.00001 0.00001 49 2PY 0.00013 -0.00001 -0.00002 -0.00002 0.00001 50 2PZ -0.00002 -0.00003 0.00012 -0.00006 0.00000 51 3S 0.00157 0.00011 0.00585 -0.00145 0.00026 52 3PX -0.00057 0.00016 0.00095 0.00062 0.00000 53 3PY -0.00023 -0.00055 -0.00245 0.00054 -0.00009 54 3PZ 0.00046 -0.00005 0.00179 -0.00056 0.00005 55 4XX -0.00009 -0.00001 -0.00023 0.00007 -0.00001 56 4YY -0.00014 0.00004 -0.00014 0.00005 -0.00001 57 4ZZ -0.00003 -0.00005 -0.00023 -0.00003 -0.00001 58 4XY 0.00006 -0.00003 0.00002 -0.00002 -0.00000 59 4XZ -0.00002 0.00000 -0.00011 0.00007 0.00000 60 4YZ -0.00006 -0.00005 0.00009 0.00002 -0.00000 61 5 C 1S 0.00151 -0.00005 0.99354 0.00038 0.00004 62 2S -0.00015 0.00005 0.05176 -0.00040 -0.00009 63 2PX 0.00001 0.00004 -0.00034 0.00017 0.00000 64 2PY 0.00014 0.00011 -0.00032 -0.00002 -0.00001 65 2PZ 0.00006 -0.00010 0.00032 -0.00011 -0.00005 66 3S 0.00423 -0.00198 -0.03420 0.00242 0.00125 67 3PX 0.00010 -0.00118 0.00124 -0.00151 0.00021 68 3PY -0.00320 0.00174 0.00361 -0.00043 -0.00042 69 3PZ -0.00086 0.00076 -0.00080 0.00069 0.00043 70 4XX -0.00020 0.00002 -0.00827 -0.00015 0.00001 71 4YY -0.00022 -0.00010 -0.00827 -0.00003 -0.00002 72 4ZZ -0.00024 -0.00004 -0.00815 -0.00013 -0.00003 73 4XY -0.00015 0.00006 0.00000 0.00005 0.00003 74 4XZ 0.00005 0.00000 0.00003 0.00003 -0.00002 75 4YZ 0.00007 0.00003 0.00000 -0.00005 0.00002 76 6 C 1S 0.99320 -0.01163 -0.00178 -0.00158 0.00003 77 2S 0.05017 -0.00085 -0.00046 -0.00019 0.00008 78 2PX 0.00005 -0.00015 -0.00014 0.00022 -0.00008 79 2PY -0.00067 0.00007 0.00002 -0.00002 0.00009 80 2PZ -0.00039 -0.00022 0.00018 -0.00006 -0.00005 81 3S -0.02218 0.00769 0.00798 0.00444 -0.00183 82 3PX -0.00084 0.00425 0.00643 -0.00481 -0.00081 83 3PY 0.00217 -0.00371 0.00400 0.00034 0.00015 84 3PZ 0.00101 0.00133 -0.00296 0.00081 0.00012 85 4XX -0.00846 0.00006 -0.00022 -0.00041 -0.00004 86 4YY -0.00847 -0.00023 -0.00023 -0.00017 -0.00001 87 4ZZ -0.00863 -0.00006 -0.00018 -0.00014 -0.00004 88 4XY -0.00004 0.00007 -0.00013 0.00001 0.00005 89 4XZ 0.00001 -0.00006 0.00006 0.00009 0.00001 90 4YZ -0.00010 0.00006 0.00004 -0.00002 -0.00003 91 7 C 1S 0.01141 0.99319 0.00002 0.00000 -0.00159 92 2S 0.00051 0.05075 -0.00010 -0.00020 -0.00050 93 2PX 0.00000 -0.00017 0.00009 0.00010 -0.00018 94 2PY -0.00010 0.00018 -0.00016 -0.00003 0.00000 95 2PZ -0.00005 -0.00105 0.00003 0.00003 0.00006 96 3S 0.00534 -0.02513 -0.00044 0.00078 0.00715 97 3PX -0.00047 -0.00183 -0.00250 0.00046 0.00346 98 3PY 0.00274 -0.00367 -0.00020 0.00056 0.00064 99 3PZ -0.00006 0.00396 0.00045 -0.00037 -0.00001 100 4XX -0.00014 -0.00860 0.00003 -0.00010 -0.00050 101 4YY -0.00046 -0.00866 -0.00008 0.00000 -0.00016 102 4ZZ -0.00030 -0.00877 -0.00007 -0.00009 -0.00025 103 4XY 0.00020 0.00001 -0.00008 0.00004 0.00008 104 4XZ -0.00010 -0.00014 -0.00001 -0.00004 -0.00007 105 4YZ 0.00009 -0.00012 0.00005 -0.00007 -0.00001 106 8 C 1S -0.00000 0.00120 -0.00007 0.00002 0.99307 107 2S 0.00002 -0.00073 -0.00007 -0.00001 0.05073 108 2PX 0.00010 0.00003 -0.00002 0.00002 -0.00050 109 2PY -0.00004 0.00002 -0.00003 -0.00000 0.00001 110 2PZ -0.00001 0.00000 -0.00002 -0.00001 -0.00000 111 3S -0.00076 0.00890 0.00156 -0.00031 -0.02281 112 3PX -0.00003 -0.00230 -0.00074 -0.00005 0.00127 113 3PY -0.00051 0.00185 -0.00006 -0.00010 -0.00190 114 3PZ 0.00017 -0.00228 -0.00041 0.00021 0.00124 115 4XX -0.00004 -0.00046 0.00004 0.00002 -0.00897 116 4YY 0.00002 -0.00015 -0.00007 -0.00000 -0.00897 117 4ZZ -0.00006 -0.00018 -0.00002 -0.00002 -0.00884 118 4XY 0.00003 -0.00003 -0.00000 -0.00002 -0.00005 119 4XZ 0.00002 0.00004 -0.00000 -0.00001 0.00000 120 4YZ -0.00002 -0.00008 0.00002 -0.00000 0.00014 121 9 C 1S -0.00000 0.00007 -0.00007 -0.00001 0.00386 122 2S 0.00002 0.00037 -0.00007 -0.00002 -0.00036 123 2PX 0.00005 0.00014 0.00012 0.00003 0.00010 124 2PY 0.00001 -0.00003 -0.00012 -0.00001 0.00013 125 2PZ -0.00003 -0.00006 -0.00006 0.00000 -0.00002 126 3S -0.00001 -0.00436 -0.00071 0.00001 0.00689 127 3PX -0.00031 0.00135 -0.00027 -0.00020 -0.00296 128 3PY -0.00028 0.00091 0.00052 -0.00008 -0.00191 129 3PZ 0.00051 0.00093 0.00103 0.00005 0.00062 130 4XX -0.00002 -0.00001 -0.00007 -0.00001 -0.00027 131 4YY 0.00002 0.00000 -0.00007 -0.00001 -0.00034 132 4ZZ -0.00003 0.00002 -0.00004 -0.00001 -0.00026 133 4XY 0.00003 -0.00002 0.00002 0.00002 -0.00005 134 4XZ 0.00000 0.00001 -0.00003 -0.00000 0.00007 135 4YZ -0.00001 -0.00000 -0.00001 -0.00001 0.00006 136 10 C 1S -0.00001 -0.00016 0.00196 -0.00006 0.00002 137 2S 0.00001 -0.00051 -0.00039 -0.00017 0.00012 138 2PX 0.00007 0.00008 -0.00001 0.00004 -0.00002 139 2PY 0.00004 0.00013 0.00003 0.00000 0.00009 140 2PZ -0.00002 -0.00006 0.00001 -0.00003 -0.00004 141 3S -0.00159 0.00396 0.00785 0.00089 -0.00199 142 3PX 0.00071 -0.00126 -0.00381 -0.00059 -0.00002 143 3PY -0.00111 -0.00141 0.00093 0.00007 0.00008 144 3PZ -0.00000 0.00107 0.00122 0.00020 -0.00080 145 4XX -0.00008 -0.00013 -0.00017 0.00001 0.00003 146 4YY 0.00001 -0.00014 -0.00019 -0.00004 -0.00001 147 4ZZ -0.00002 -0.00013 -0.00013 -0.00006 -0.00002 148 4XY 0.00003 -0.00010 0.00003 -0.00003 0.00003 149 4XZ -0.00000 0.00001 0.00002 -0.00002 0.00003 150 4YZ -0.00001 -0.00003 -0.00001 0.00000 0.00002 151 11 C 1S -0.00005 -0.00002 -0.00002 -0.00002 -0.00006 152 2S -0.00021 -0.00006 -0.00001 -0.00004 -0.00018 153 2PX 0.00002 0.00002 0.00004 0.00001 -0.00001 154 2PY 0.00002 0.00002 -0.00002 -0.00001 0.00001 155 2PZ -0.00000 0.00003 -0.00003 -0.00001 -0.00004 156 3S 0.00126 0.00053 -0.00026 0.00019 0.00103 157 3PX -0.00063 -0.00041 0.00026 -0.00012 0.00007 158 3PY -0.00032 -0.00022 0.00036 0.00001 -0.00041 159 3PZ 0.00019 -0.00025 0.00004 0.00006 0.00056 160 4XX -0.00002 -0.00000 -0.00006 -0.00002 -0.00005 161 4YY -0.00007 -0.00001 0.00002 -0.00001 -0.00002 162 4ZZ -0.00006 -0.00003 -0.00005 -0.00002 -0.00003 163 4XY 0.00003 0.00002 -0.00004 0.00001 0.00002 164 4XZ -0.00002 -0.00000 0.00001 0.00000 -0.00003 165 4YZ -0.00001 -0.00001 0.00000 -0.00001 -0.00002 166 12 H 1S -0.00008 -0.00004 0.00004 -0.00000 0.00001 167 2S -0.00001 -0.00014 -0.00026 -0.00006 0.00017 168 13 H 1S -0.00004 0.00002 0.00000 -0.00002 -0.00009 169 2S -0.00008 0.00019 -0.00026 -0.00004 -0.00017 170 14 C 1S 0.00001 -0.00000 -0.00006 -0.00001 0.00002 171 2S 0.00005 -0.00001 -0.00018 -0.00003 0.00007 172 2PX 0.00000 0.00001 0.00005 0.00001 0.00002 173 2PY -0.00002 -0.00001 0.00002 0.00001 0.00001 174 2PZ -0.00002 -0.00001 -0.00000 -0.00000 -0.00002 175 3S -0.00028 0.00004 0.00097 0.00015 -0.00073 176 3PX 0.00014 -0.00001 -0.00049 -0.00011 0.00002 177 3PY 0.00028 0.00008 -0.00049 -0.00004 0.00010 178 3PZ 0.00004 0.00026 0.00019 0.00004 -0.00034 179 4XX -0.00000 -0.00001 -0.00001 -0.00000 0.00002 180 4YY 0.00003 -0.00000 -0.00009 -0.00001 0.00002 181 4ZZ 0.00000 0.00001 -0.00004 -0.00001 -0.00002 182 4XY -0.00001 -0.00000 -0.00000 -0.00000 0.00000 183 4XZ 0.00000 -0.00001 -0.00002 -0.00001 0.00001 184 4YZ 0.00001 0.00000 -0.00001 0.00000 0.00000 185 15 H 1S -0.00002 -0.00000 0.00002 0.00000 0.00001 186 2S -0.00005 0.00002 0.00019 0.00004 0.00006 187 16 H 1S 0.00003 -0.00001 -0.00009 -0.00002 0.00002 188 2S 0.00017 0.00020 -0.00013 -0.00000 -0.00003 189 17 C 1S -0.00000 0.00001 0.00001 -0.00000 -0.00005 190 2S -0.00001 0.00006 0.00007 -0.00000 -0.00017 191 2PX 0.00000 0.00001 0.00006 0.00001 0.00001 192 2PY 0.00001 0.00001 -0.00002 -0.00000 0.00001 193 2PZ -0.00001 0.00002 -0.00002 -0.00000 -0.00002 194 3S 0.00006 -0.00041 -0.00090 -0.00008 0.00103 195 3PX -0.00009 0.00018 0.00030 0.00002 -0.00047 196 3PY -0.00003 -0.00007 0.00017 0.00003 0.00003 197 3PZ -0.00007 -0.00012 0.00027 0.00003 0.00004 198 4XX 0.00001 -0.00000 -0.00003 -0.00001 -0.00001 199 4YY -0.00001 0.00001 0.00002 -0.00000 -0.00004 200 4ZZ 0.00001 0.00001 0.00000 -0.00000 -0.00004 201 4XY -0.00000 -0.00002 -0.00001 -0.00000 0.00002 202 4XZ 0.00001 0.00000 -0.00002 -0.00000 -0.00001 203 4YZ 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 204 18 C 1S 0.00000 -0.00001 -0.00008 -0.00001 -0.00007 205 2S -0.00000 -0.00011 -0.00027 -0.00005 -0.00011 206 2PX -0.00003 -0.00009 0.00001 0.00000 0.00011 207 2PY -0.00000 -0.00000 -0.00002 0.00000 0.00001 208 2PZ 0.00000 0.00002 0.00003 0.00000 -0.00004 209 3S 0.00011 0.00092 0.00179 0.00027 -0.00003 210 3PX -0.00002 -0.00043 -0.00064 -0.00009 -0.00016 211 3PY 0.00010 0.00022 0.00053 0.00008 -0.00017 212 3PZ 0.00003 -0.00011 -0.00036 -0.00000 0.00024 213 4XX 0.00001 0.00009 0.00001 -0.00000 -0.00007 214 4YY 0.00001 -0.00000 -0.00005 -0.00001 -0.00002 215 4ZZ -0.00001 -0.00001 -0.00010 -0.00002 -0.00006 216 4XY -0.00001 -0.00001 -0.00003 -0.00001 -0.00002 217 4XZ 0.00000 -0.00001 -0.00001 -0.00001 -0.00003 218 4YZ 0.00001 -0.00003 -0.00000 0.00000 0.00001 219 19 H 1S 0.00001 0.00002 -0.00010 -0.00002 -0.00002 220 2S 0.00003 -0.00022 -0.00018 -0.00000 -0.00008 221 20 H 1S 0.00000 -0.00007 -0.00002 -0.00001 -0.00001 222 2S -0.00002 0.00025 0.00021 0.00001 -0.00018 223 21 H 1S -0.00001 0.00004 -0.00000 0.00000 -0.00006 224 2S 0.00007 0.00005 -0.00006 -0.00002 -0.00002 225 22 H 1S -0.00000 -0.00001 0.00003 0.00000 -0.00002 226 2S 0.00001 -0.00002 0.00017 0.00003 0.00008 227 23 H 1S 0.00005 -0.00017 -0.00027 -0.00002 0.00002 228 2S -0.00053 -0.00069 -0.00018 -0.00010 -0.00021 229 24 H 1S 0.00001 0.00009 -0.00007 -0.00000 -0.00021 230 2S -0.00011 -0.00042 -0.00063 0.00005 0.00009 231 25 H 1S -0.00000 -0.00029 -0.00006 0.00001 0.00018 232 2S 0.00005 -0.00022 -0.00004 0.00002 0.00272 233 26 H 1S 0.00006 -0.00021 -0.00000 -0.00001 0.00016 234 2S -0.00021 0.00030 0.00004 -0.00008 0.00276 235 27 H 1S -0.00013 -0.00010 -0.00013 0.00001 -0.00006 236 2S -0.00001 0.00140 -0.00066 0.00011 0.00019 237 28 Br 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 238 2S -0.00003 -0.00002 -0.00001 -0.00001 -0.00002 239 3S 0.00010 0.00006 0.00003 0.00004 0.00008 240 4S 0.00005 -0.00005 -0.00003 -0.00004 -0.00004 241 5S -0.00168 -0.00114 0.00018 -0.00057 -0.00079 242 6S 0.00454 0.00443 -0.00038 0.00130 0.00190 243 7PX -0.00000 0.00001 -0.00000 0.00000 -0.00001 244 7PY 0.00002 0.00000 -0.00001 -0.00001 -0.00001 245 7PZ 0.00001 0.00003 -0.00000 -0.00001 -0.00001 246 8PX 0.00001 -0.00004 0.00001 -0.00002 0.00004 247 8PY -0.00006 -0.00001 0.00003 0.00003 0.00002 248 8PZ -0.00003 -0.00009 0.00001 0.00003 0.00005 249 9PX -0.00006 0.00019 -0.00003 0.00009 -0.00023 250 9PY 0.00011 0.00010 -0.00011 -0.00018 -0.00012 251 9PZ 0.00003 0.00049 -0.00001 -0.00018 -0.00027 252 10PX 0.00005 0.00086 -0.00002 -0.00014 0.00018 253 10PY 0.00161 0.00036 -0.00022 0.00026 0.00024 254 10PZ 0.00126 0.00211 -0.00020 0.00019 0.00032 255 11XX -0.00004 -0.00002 -0.00002 -0.00002 -0.00005 256 11YY -0.00013 0.00001 -0.00000 -0.00002 -0.00003 257 11ZZ -0.00007 -0.00005 -0.00001 -0.00001 -0.00005 258 11XY 0.00001 -0.00001 0.00001 0.00001 -0.00000 259 11XZ 0.00000 -0.00004 -0.00000 0.00001 -0.00001 260 11YZ -0.00006 0.00000 0.00001 -0.00001 -0.00001 261 12XX -0.00105 -0.00047 0.00009 -0.00032 -0.00046 262 12YY 0.00002 -0.00081 -0.00017 -0.00034 -0.00054 263 12ZZ -0.00058 0.00041 -0.00004 -0.00041 -0.00055 264 12XY -0.00005 0.00013 -0.00009 -0.00006 -0.00001 265 12XZ -0.00004 0.00060 -0.00001 -0.00005 -0.00004 266 12YZ 0.00074 0.00018 -0.00015 0.00005 0.00005 267 29 C 1S -0.00010 0.00007 0.00225 -0.00008 0.00003 268 2S -0.00044 0.00024 -0.00011 0.00003 0.00005 269 2PX 0.00007 -0.00002 -0.00006 0.00010 0.00002 270 2PY 0.00010 -0.00003 -0.00016 0.00006 0.00002 271 2PZ -0.00002 0.00000 -0.00017 0.00007 0.00003 272 3S 0.00204 -0.00141 0.00585 -0.00042 -0.00052 273 3PX -0.00087 0.00046 -0.00011 0.00004 -0.00013 274 3PY -0.00086 0.00039 -0.00161 0.00024 0.00015 275 3PZ -0.00045 0.00027 -0.00191 0.00009 0.00002 276 4XX -0.00011 0.00009 -0.00007 -0.00005 0.00003 277 4YY -0.00003 0.00003 -0.00010 -0.00007 -0.00001 278 4ZZ -0.00007 0.00007 -0.00027 -0.00003 0.00002 279 4XY 0.00008 -0.00002 -0.00004 -0.00005 0.00001 280 4XZ 0.00005 -0.00004 -0.00000 -0.00005 -0.00000 281 4YZ 0.00004 -0.00001 -0.00012 -0.00000 -0.00001 282 30 H 1S -0.00012 0.00008 -0.00021 -0.00001 0.00001 283 2S -0.00043 0.00028 -0.00006 -0.00011 -0.00004 284 31 H 1S -0.00018 0.00004 -0.00023 0.00008 -0.00001 285 2S -0.00001 0.00015 -0.00029 -0.00005 0.00018 286 32 H 1S -0.00000 0.00003 -0.00023 0.00001 0.00002 287 2S 0.00046 -0.00016 -0.00024 0.00004 0.00010 288 33 H 1S -0.00008 -0.00004 -0.00030 0.00014 0.00000 289 2S -0.00022 -0.00010 -0.00042 -0.00005 -0.00007 290 34 H 1S -0.00001 0.00000 -0.00014 -0.00000 0.00001 291 2S 0.00015 0.00015 0.00026 -0.00017 -0.00001 292 35 H 1S 0.00008 0.00001 -0.00001 -0.00010 0.00001 293 2S 0.00008 -0.00009 -0.00028 -0.00031 0.00005 294 36 H 1S 0.00005 -0.00000 -0.00004 -0.00001 0.00000 295 2S 0.00010 0.00003 0.00034 0.00048 0.00000 296 37 H 1S -0.00007 0.00002 0.00019 -0.00023 0.00003 297 2S -0.00050 0.00005 0.00035 -0.00019 -0.00001 298 38 H 1S -0.00003 -0.00002 -0.00005 -0.00012 -0.00002 299 2S 0.00039 0.00010 -0.00033 -0.00006 -0.00005 300 39 H 1S -0.00016 -0.00001 -0.00008 0.00020 0.00001 301 2S 0.00003 -0.00014 -0.00031 0.00306 -0.00001 302 40 H 1S -0.00013 -0.00008 -0.00014 0.00012 -0.00004 303 2S -0.00052 -0.00007 -0.00008 0.00243 0.00013 11 12 13 14 15 O O O O O Eigenvalues -- -10.33283 -10.32712 -10.32623 -10.32605 -10.32331 1 1 C 1S 0.00006 -0.00000 -0.00324 0.00000 0.00002 2 2S -0.00005 -0.00015 -0.00040 -0.00002 0.00022 3 2PX -0.00006 -0.00004 -0.00003 0.00001 -0.00003 4 2PY -0.00005 -0.00001 -0.00001 -0.00000 0.00005 5 2PZ -0.00003 -0.00003 0.00009 0.00002 0.00007 6 3S 0.00054 0.00062 0.00476 0.00019 -0.00183 7 3PX -0.00001 0.00028 -0.00125 0.00001 -0.00068 8 3PY -0.00014 0.00018 0.00128 0.00014 -0.00082 9 3PZ -0.00011 0.00012 -0.00192 -0.00013 0.00048 10 4XX -0.00007 -0.00001 -0.00023 0.00000 0.00004 11 4YY -0.00001 -0.00005 -0.00016 -0.00002 0.00007 12 4ZZ -0.00003 -0.00005 -0.00027 0.00000 -0.00002 13 4XY -0.00007 -0.00000 0.00007 0.00002 -0.00005 14 4XZ -0.00003 0.00000 -0.00012 -0.00000 0.00006 15 4YZ 0.00002 0.00001 0.00014 -0.00001 0.00000 16 2 C 1S 0.00021 0.00044 0.99304 -0.00015 0.00086 17 2S 0.00010 0.00008 0.05039 0.00000 -0.00027 18 2PX 0.00004 -0.00001 0.00030 0.00001 -0.00015 19 2PY 0.00000 -0.00001 -0.00018 0.00000 -0.00007 20 2PZ -0.00000 0.00001 0.00018 -0.00002 0.00010 21 3S -0.00045 -0.00052 -0.02063 -0.00002 0.00123 22 3PX -0.00019 -0.00027 -0.00206 -0.00004 0.00078 23 3PY 0.00004 -0.00011 0.00016 0.00014 -0.00007 24 3PZ -0.00006 -0.00011 -0.00069 -0.00000 -0.00011 25 4XX 0.00002 -0.00001 -0.00886 0.00001 -0.00005 26 4YY 0.00004 0.00002 -0.00889 0.00001 -0.00011 27 4ZZ 0.00006 0.00001 -0.00885 -0.00001 -0.00013 28 4XY -0.00000 -0.00001 -0.00006 0.00000 -0.00001 29 4XZ -0.00002 -0.00002 -0.00008 -0.00000 0.00001 30 4YZ 0.00001 -0.00001 0.00009 -0.00000 -0.00001 31 3 C 1S -0.00008 -0.00013 0.00909 -0.00004 0.01182 32 2S 0.00004 -0.00018 0.00018 -0.00002 0.00026 33 2PX -0.00008 -0.00003 -0.00002 -0.00002 -0.00001 34 2PY -0.00002 -0.00002 0.00005 -0.00001 0.00005 35 2PZ -0.00004 -0.00002 -0.00002 0.00000 -0.00002 36 3S -0.00036 0.00111 0.00453 0.00022 0.00487 37 3PX -0.00038 0.00036 -0.00137 0.00025 0.00250 38 3PY 0.00015 -0.00023 -0.00189 0.00015 -0.00056 39 3PZ 0.00009 0.00031 0.00090 -0.00017 -0.00001 40 4XX -0.00007 -0.00002 -0.00036 0.00001 -0.00049 41 4YY -0.00001 -0.00004 -0.00035 -0.00002 -0.00027 42 4ZZ 0.00000 -0.00007 -0.00019 0.00000 -0.00026 43 4XY -0.00000 -0.00002 -0.00013 0.00000 0.00004 44 4XZ -0.00005 0.00001 0.00003 -0.00001 0.00011 45 4YZ 0.00003 0.00001 0.00006 -0.00000 0.00001 46 4 C 1S -0.00055 -0.00066 -0.00111 -0.00059 0.99303 47 2S -0.00041 -0.00012 -0.00040 -0.00029 0.05055 48 2PX 0.00000 -0.00008 0.00019 -0.00004 0.00000 49 2PY -0.00007 0.00006 0.00006 0.00002 -0.00021 50 2PZ -0.00016 0.00002 0.00003 0.00001 0.00027 51 3S 0.00161 -0.00004 0.00162 0.00149 -0.02096 52 3PX -0.00018 0.00038 -0.00056 0.00078 0.00073 53 3PY 0.00023 0.00006 -0.00077 -0.00086 0.00088 54 3PZ 0.00095 -0.00042 0.00032 0.00039 -0.00162 55 4XX -0.00013 -0.00005 -0.00008 -0.00007 -0.00889 56 4YY -0.00011 -0.00007 -0.00006 -0.00001 -0.00877 57 4ZZ -0.00006 -0.00002 -0.00008 -0.00004 -0.00885 58 4XY -0.00002 -0.00001 0.00001 -0.00004 0.00010 59 4XZ 0.00003 -0.00003 -0.00003 0.00003 0.00000 60 4YZ -0.00000 0.00002 -0.00004 -0.00005 0.00010 61 5 C 1S -0.00235 -0.00221 0.00003 0.00023 -0.00210 62 2S 0.00028 -0.00041 0.00023 0.00000 -0.00019 63 2PX 0.00000 -0.00003 -0.00006 -0.00014 0.00004 64 2PY 0.00000 -0.00002 0.00005 0.00006 0.00000 65 2PZ -0.00000 0.00001 0.00003 -0.00013 0.00003 66 3S -0.00044 0.00599 -0.00170 -0.00136 0.00359 67 3PX 0.00052 0.00278 0.00175 0.00047 -0.00080 68 3PY 0.00184 -0.00143 -0.00006 0.00040 0.00124 69 3PZ 0.00113 -0.00088 0.00026 0.00129 -0.00222 70 4XX -0.00009 -0.00023 -0.00001 -0.00001 -0.00014 71 4YY -0.00015 -0.00013 0.00008 -0.00009 -0.00018 72 4ZZ -0.00021 -0.00015 0.00005 -0.00003 -0.00026 73 4XY -0.00004 0.00009 -0.00003 0.00002 0.00000 74 4XZ 0.00000 0.00009 -0.00005 -0.00005 -0.00006 75 4YZ -0.00011 -0.00007 -0.00001 0.00002 0.00010 76 6 C 1S -0.00007 0.00002 -0.00004 -0.00000 -0.00005 77 2S -0.00047 0.00002 -0.00035 -0.00004 -0.00038 78 2PX -0.00005 -0.00006 0.00018 -0.00001 -0.00002 79 2PY -0.00014 0.00003 -0.00004 -0.00002 -0.00013 80 2PZ -0.00008 0.00008 0.00008 -0.00004 0.00016 81 3S 0.00264 -0.00185 0.00140 0.00123 0.00139 82 3PX 0.00145 -0.00086 -0.00063 0.00043 -0.00057 83 3PY 0.00145 0.00034 0.00130 -0.00051 0.00157 84 3PZ 0.00027 -0.00032 -0.00072 -0.00009 -0.00076 85 4XX -0.00008 -0.00003 -0.00008 -0.00005 -0.00006 86 4YY -0.00002 -0.00002 -0.00013 0.00004 -0.00010 87 4ZZ -0.00013 -0.00003 -0.00010 0.00002 -0.00012 88 4XY 0.00012 -0.00001 -0.00001 -0.00003 0.00002 89 4XZ 0.00001 -0.00004 -0.00001 -0.00001 0.00002 90 4YZ 0.00006 0.00000 -0.00006 -0.00004 -0.00008 91 7 C 1S 0.00004 -0.00005 -0.00001 0.00004 -0.00002 92 2S 0.00023 -0.00043 -0.00008 0.00021 -0.00012 93 2PX 0.00004 -0.00012 0.00000 -0.00013 0.00000 94 2PY 0.00001 -0.00005 -0.00002 0.00003 0.00001 95 2PZ -0.00002 0.00015 -0.00004 -0.00009 -0.00003 96 3S -0.00128 0.00312 0.00088 -0.00257 0.00132 97 3PX -0.00078 0.00129 -0.00022 -0.00089 -0.00010 98 3PY -0.00041 0.00097 0.00057 -0.00082 0.00055 99 3PZ 0.00021 -0.00071 0.00005 0.00063 -0.00001 100 4XX 0.00008 -0.00009 -0.00000 -0.00002 -0.00001 101 4YY 0.00003 -0.00013 0.00003 0.00004 0.00002 102 4ZZ 0.00010 -0.00018 -0.00002 0.00007 -0.00003 103 4XY -0.00002 -0.00003 -0.00001 0.00005 -0.00000 104 4XZ -0.00000 0.00004 0.00000 0.00000 0.00001 105 4YZ -0.00002 -0.00004 -0.00001 -0.00002 -0.00001 106 8 C 1S -0.00002 -0.00035 0.00000 -0.00421 0.00001 107 2S -0.00001 0.00010 0.00001 -0.00082 0.00002 108 2PX -0.00004 -0.00001 -0.00000 0.00005 -0.00000 109 2PY 0.00006 -0.00005 0.00001 0.00004 -0.00002 110 2PZ -0.00001 0.00011 0.00001 0.00003 0.00002 111 3S 0.00071 -0.00158 0.00001 0.00843 -0.00035 112 3PX -0.00029 0.00116 0.00003 0.00099 0.00011 113 3PY -0.00028 -0.00073 -0.00017 0.00219 -0.00030 114 3PZ -0.00022 0.00015 -0.00013 -0.00220 0.00003 115 4XX 0.00004 -0.00002 -0.00000 -0.00025 0.00000 116 4YY -0.00001 -0.00006 0.00001 -0.00030 -0.00002 117 4ZZ 0.00003 -0.00001 -0.00000 -0.00016 -0.00001 118 4XY -0.00002 0.00001 0.00001 -0.00021 0.00000 119 4XZ -0.00001 -0.00000 0.00000 0.00006 0.00000 120 4YZ 0.00001 0.00001 0.00000 0.00004 0.00001 121 9 C 1S -0.00025 0.09038 0.00011 0.98918 0.00055 122 2S 0.00005 0.00416 0.00000 0.05090 -0.00020 123 2PX 0.00008 -0.00008 -0.00001 -0.00021 0.00004 124 2PY -0.00012 0.00001 -0.00000 -0.00015 -0.00003 125 2PZ -0.00003 0.00002 -0.00002 -0.00007 -0.00001 126 3S -0.00079 0.00465 0.00017 -0.02777 0.00138 127 3PX -0.00030 -0.00191 -0.00001 0.00128 -0.00074 128 3PY 0.00009 0.00245 0.00013 0.00097 0.00056 129 3PZ 0.00050 -0.00179 0.00010 0.00259 -0.00015 130 4XX -0.00007 -0.00099 -0.00000 -0.00859 -0.00006 131 4YY -0.00007 -0.00095 0.00001 -0.00847 -0.00006 132 4ZZ 0.00002 -0.00105 0.00000 -0.00845 -0.00007 133 4XY 0.00005 0.00007 0.00000 0.00005 -0.00002 134 4XZ 0.00003 -0.00006 0.00000 0.00003 0.00003 135 4YZ -0.00000 0.00013 -0.00000 0.00012 -0.00003 136 10 C 1S -0.00097 0.98916 -0.00043 -0.09067 0.00056 137 2S -0.00048 0.05081 0.00003 -0.00505 -0.00002 138 2PX 0.00004 -0.00013 0.00001 0.00001 0.00007 139 2PY -0.00011 0.00007 0.00000 0.00007 -0.00005 140 2PZ -0.00018 0.00021 0.00001 -0.00005 0.00007 141 3S 0.00217 -0.02604 -0.00067 0.00860 -0.00055 142 3PX -0.00038 -0.00035 0.00008 0.00089 -0.00012 143 3PY 0.00061 -0.00102 -0.00026 -0.00360 0.00034 144 3PZ 0.00094 -0.00182 -0.00033 0.00248 -0.00075 145 4XX -0.00009 -0.00863 0.00002 0.00056 -0.00005 146 4YY -0.00013 -0.00851 0.00002 0.00061 -0.00005 147 4ZZ -0.00013 -0.00846 0.00001 0.00052 -0.00005 148 4XY -0.00004 0.00005 0.00002 -0.00002 -0.00000 149 4XZ -0.00003 0.00002 0.00002 -0.00001 -0.00001 150 4YZ 0.00003 0.00014 -0.00001 0.00009 0.00001 151 11 C 1S -0.00004 0.00341 -0.00000 -0.00055 -0.00004 152 2S 0.00005 -0.00025 -0.00001 -0.00042 0.00002 153 2PX 0.00000 -0.00009 -0.00002 0.00002 0.00004 154 2PY 0.00003 0.00001 0.00000 0.00008 -0.00000 155 2PZ -0.00006 -0.00001 0.00001 -0.00008 0.00006 156 3S -0.00038 0.00604 0.00025 0.00185 -0.00007 157 3PX 0.00051 -0.00197 0.00010 0.00002 0.00001 158 3PY 0.00004 -0.00193 -0.00011 -0.00057 0.00005 159 3PZ -0.00011 0.00166 -0.00000 0.00009 -0.00025 160 4XX -0.00004 -0.00028 0.00000 -0.00003 -0.00004 161 4YY 0.00002 -0.00031 0.00000 -0.00005 -0.00000 162 4ZZ -0.00005 -0.00012 0.00000 -0.00010 -0.00000 163 4XY 0.00001 -0.00010 -0.00001 -0.00001 -0.00000 164 4XZ 0.00004 0.00001 -0.00001 0.00002 -0.00001 165 4YZ 0.00004 0.00004 -0.00001 -0.00005 -0.00004 166 12 H 1S 0.00006 -0.00016 0.00002 -0.00004 0.00002 167 2S 0.00006 0.00014 -0.00004 0.00010 -0.00035 168 13 H 1S 0.00003 -0.00031 -0.00000 -0.00005 0.00004 169 2S -0.00027 -0.00027 0.00002 -0.00026 0.00013 170 14 C 1S -0.00001 -0.00011 0.00001 0.00009 0.00000 171 2S -0.00003 -0.00022 0.00004 0.00027 -0.00000 172 2PX 0.00001 0.00015 0.00000 -0.00005 -0.00001 173 2PY -0.00000 -0.00003 -0.00001 -0.00011 -0.00001 174 2PZ 0.00000 -0.00001 0.00000 -0.00004 -0.00000 175 3S 0.00002 0.00085 -0.00026 -0.00149 -0.00006 176 3PX -0.00001 -0.00033 0.00009 0.00091 0.00004 177 3PY -0.00015 -0.00005 0.00002 0.00071 0.00005 178 3PZ 0.00002 0.00001 -0.00008 -0.00027 0.00006 179 4XX 0.00001 -0.00007 0.00000 0.00006 0.00000 180 4YY -0.00002 -0.00003 0.00001 0.00009 0.00000 181 4ZZ -0.00000 -0.00009 0.00001 0.00002 0.00001 182 4XY -0.00000 0.00004 0.00000 -0.00003 -0.00000 183 4XZ 0.00000 -0.00002 0.00000 0.00003 -0.00001 184 4YZ 0.00000 -0.00003 -0.00000 -0.00000 -0.00000 185 15 H 1S 0.00001 -0.00006 0.00000 -0.00003 -0.00001 186 2S 0.00002 0.00027 -0.00001 -0.00038 -0.00001 187 16 H 1S -0.00001 -0.00001 0.00001 0.00019 0.00001 188 2S -0.00002 -0.00040 0.00000 0.00026 0.00005 189 17 C 1S 0.00001 0.00006 -0.00000 -0.00011 -0.00000 190 2S 0.00003 0.00019 -0.00000 -0.00023 -0.00000 191 2PX 0.00000 -0.00001 -0.00000 0.00009 0.00001 192 2PY 0.00000 0.00008 0.00001 0.00008 0.00000 193 2PZ -0.00001 0.00006 -0.00000 -0.00012 0.00000 194 3S -0.00027 -0.00117 0.00008 0.00091 -0.00000 195 3PX 0.00013 0.00075 -0.00001 -0.00029 -0.00004 196 3PY 0.00001 -0.00032 0.00001 -0.00004 -0.00005 197 3PZ 0.00006 -0.00044 -0.00002 0.00030 -0.00006 198 4XX -0.00000 0.00001 0.00000 -0.00003 0.00000 199 4YY 0.00002 0.00007 -0.00000 -0.00006 0.00000 200 4ZZ 0.00001 0.00005 -0.00000 -0.00010 -0.00000 201 4XY -0.00001 -0.00001 -0.00000 -0.00005 -0.00000 202 4XZ -0.00001 -0.00002 0.00000 -0.00001 0.00000 203 4YZ 0.00000 -0.00002 -0.00000 0.00001 0.00000 204 18 C 1S -0.00004 0.00013 0.00001 0.00326 -0.00001 205 2S -0.00012 -0.00028 0.00001 -0.00024 -0.00002 206 2PX -0.00001 0.00012 -0.00001 -0.00009 0.00001 207 2PY 0.00002 -0.00006 -0.00000 -0.00003 -0.00002 208 2PZ 0.00002 0.00001 0.00001 0.00008 -0.00000 209 3S 0.00084 0.00168 -0.00001 0.00612 0.00017 210 3PX -0.00034 -0.00035 -0.00000 -0.00311 -0.00011 211 3PY 0.00018 0.00053 -0.00001 0.00105 0.00008 212 3PZ -0.00005 0.00002 -0.00004 0.00036 0.00017 213 4XX 0.00002 -0.00014 0.00001 -0.00023 -0.00000 214 4YY -0.00001 -0.00007 0.00000 -0.00023 -0.00001 215 4ZZ -0.00002 -0.00007 0.00000 -0.00022 0.00000 216 4XY -0.00003 -0.00001 0.00000 0.00009 -0.00001 217 4XZ -0.00001 0.00001 0.00000 0.00013 -0.00001 218 4YZ 0.00001 -0.00005 -0.00000 -0.00002 0.00000 219 19 H 1S -0.00005 -0.00006 0.00000 -0.00031 -0.00000 220 2S -0.00007 -0.00020 -0.00002 -0.00026 0.00010 221 20 H 1S -0.00002 -0.00005 0.00000 -0.00013 -0.00001 222 2S 0.00005 0.00021 0.00002 0.00011 0.00002 223 21 H 1S -0.00000 0.00016 -0.00000 -0.00003 0.00001 224 2S 0.00001 0.00020 -0.00000 -0.00039 0.00004 225 22 H 1S 0.00000 -0.00003 -0.00000 -0.00006 -0.00000 226 2S 0.00002 -0.00029 -0.00002 0.00030 0.00000 227 23 H 1S 0.00001 0.00018 -0.00002 -0.00039 -0.00001 228 2S 0.00037 0.00316 -0.00008 -0.00044 -0.00040 229 24 H 1S -0.00006 -0.00027 -0.00002 0.00024 -0.00008 230 2S -0.00009 0.00016 -0.00007 0.00286 -0.00014 231 25 H 1S -0.00005 0.00003 -0.00002 -0.00033 -0.00000 232 2S -0.00024 -0.00032 -0.00007 -0.00054 -0.00008 233 26 H 1S 0.00003 0.00005 0.00003 -0.00022 0.00003 234 2S -0.00005 0.00017 0.00002 0.00012 -0.00002 235 27 H 1S -0.00000 0.00003 -0.00006 -0.00005 -0.00003 236 2S -0.00019 0.00047 0.00015 -0.00012 -0.00002 237 28 Br 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 238 2S 0.00000 0.00001 -0.00001 -0.00001 -0.00002 239 3S -0.00000 -0.00003 0.00003 0.00001 0.00007 240 4S -0.00001 -0.00003 0.00000 0.00004 0.00001 241 5S -0.00031 0.00021 0.00020 0.00042 0.00012 242 6S 0.00081 -0.00069 -0.00034 -0.00081 -0.00005 243 7PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 244 7PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 245 7PZ 0.00000 -0.00001 -0.00000 0.00001 -0.00000 246 8PX -0.00000 0.00001 0.00000 -0.00001 0.00000 247 8PY 0.00000 0.00001 0.00001 -0.00001 0.00000 248 8PZ -0.00000 0.00003 0.00001 -0.00002 0.00001 249 9PX 0.00001 -0.00002 -0.00004 0.00009 -0.00000 250 9PY -0.00003 -0.00001 -0.00001 0.00007 0.00001 251 9PZ -0.00001 -0.00015 -0.00001 0.00014 -0.00003 252 10PX 0.00003 -0.00026 0.00016 -0.00009 0.00001 253 10PY 0.00026 -0.00017 -0.00016 -0.00013 -0.00018 254 10PZ 0.00029 -0.00004 -0.00003 -0.00011 0.00001 255 11XX 0.00001 0.00003 -0.00002 -0.00001 -0.00006 256 11YY 0.00000 0.00002 -0.00002 -0.00002 -0.00004 257 11ZZ 0.00000 0.00003 -0.00003 -0.00002 -0.00006 258 11XY 0.00000 0.00000 -0.00001 0.00001 0.00000 259 11XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 260 11YZ -0.00001 -0.00000 0.00001 0.00000 0.00000 261 12XX -0.00014 0.00003 0.00004 0.00017 0.00001 262 12YY -0.00009 0.00010 -0.00002 0.00020 -0.00016 263 12ZZ -0.00006 0.00000 0.00005 0.00028 -0.00002 264 12XY -0.00001 -0.00005 0.00006 -0.00002 -0.00001 265 12XZ 0.00004 -0.00008 0.00004 0.00001 -0.00001 266 12YZ 0.00013 -0.00002 -0.00008 -0.00002 -0.00004 267 29 C 1S 0.99297 0.00080 -0.00017 0.00017 0.00039 268 2S 0.05024 -0.00038 0.00003 0.00008 -0.00034 269 2PX -0.00009 -0.00013 -0.00007 -0.00001 0.00005 270 2PY -0.00030 0.00013 -0.00004 0.00009 -0.00006 271 2PZ -0.00026 0.00010 -0.00005 -0.00001 0.00017 272 3S -0.01717 0.00149 0.00001 -0.00056 0.00143 273 3PX 0.00022 0.00056 -0.00009 -0.00012 -0.00018 274 3PY 0.00051 -0.00038 0.00020 0.00001 0.00037 275 3PZ 0.00078 -0.00022 0.00006 0.00041 -0.00085 276 4XX -0.00899 -0.00010 0.00004 -0.00004 -0.00014 277 4YY -0.00904 -0.00019 0.00003 -0.00004 -0.00013 278 4ZZ -0.00909 -0.00016 0.00005 -0.00000 -0.00008 279 4XY -0.00002 -0.00000 0.00002 0.00000 -0.00004 280 4XZ -0.00001 -0.00001 0.00003 0.00004 0.00005 281 4YZ -0.00008 0.00003 -0.00002 -0.00003 0.00001 282 30 H 1S -0.00003 -0.00002 0.00005 0.00001 -0.00013 283 2S 0.00296 0.00032 -0.00027 -0.00002 -0.00025 284 31 H 1S -0.00000 -0.00009 -0.00001 0.00001 0.00001 285 2S 0.00269 -0.00053 0.00007 -0.00027 0.00043 286 32 H 1S -0.00003 -0.00012 -0.00001 0.00008 -0.00010 287 2S 0.00281 -0.00040 -0.00008 0.00007 -0.00053 288 33 H 1S 0.00000 -0.00004 -0.00012 -0.00012 0.00013 289 2S 0.00041 -0.00033 -0.00031 -0.00008 0.00293 290 34 H 1S -0.00013 0.00002 -0.00002 -0.00006 0.00008 291 2S -0.00021 -0.00041 0.00052 0.00002 0.00272 292 35 H 1S 0.00002 -0.00007 -0.00024 -0.00000 -0.00024 293 2S -0.00033 -0.00015 0.00009 -0.00001 -0.00011 294 36 H 1S 0.00001 -0.00001 -0.00012 -0.00003 -0.00012 295 2S 0.00002 0.00009 0.00003 0.00000 0.00005 296 37 H 1S 0.00002 0.00001 0.00014 0.00001 -0.00009 297 2S 0.00005 -0.00001 0.00310 0.00005 -0.00024 298 38 H 1S 0.00001 0.00000 0.00004 -0.00001 -0.00002 299 2S -0.00004 0.00002 0.00239 -0.00002 0.00043 300 39 H 1S -0.00003 -0.00007 -0.00022 0.00000 0.00014 301 2S -0.00009 -0.00016 0.00021 -0.00000 0.00014 302 40 H 1S -0.00000 -0.00000 -0.00015 0.00001 -0.00001 303 2S -0.00006 0.00003 -0.00015 0.00002 -0.00029 16 17 18 19 20 O O O O O Eigenvalues -- -10.31467 -10.29930 -10.29650 -10.28519 -10.28299 1 1 C 1S 0.00004 -0.00000 -0.00001 -0.00000 0.00000 2 2S -0.00036 -0.00007 -0.00006 -0.00004 0.00000 3 2PX 0.00004 -0.00000 0.00000 -0.00001 -0.00001 4 2PY -0.00019 -0.00001 -0.00001 -0.00000 0.00000 5 2PZ 0.00007 0.00000 0.00000 -0.00000 0.00000 6 3S 0.00162 0.00080 0.00035 0.00019 -0.00004 7 3PX 0.00066 0.00035 0.00012 -0.00001 0.00003 8 3PY 0.00095 -0.00031 0.00013 -0.00002 0.00004 9 3PZ -0.00024 0.00002 -0.00006 -0.00004 0.00004 10 4XX -0.00006 -0.00000 0.00000 -0.00001 -0.00000 11 4YY -0.00009 -0.00000 -0.00002 -0.00000 -0.00000 12 4ZZ -0.00009 -0.00003 -0.00001 -0.00001 -0.00000 13 4XY 0.00005 -0.00003 -0.00000 -0.00001 0.00001 14 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 15 4YZ -0.00005 0.00000 -0.00000 -0.00000 -0.00000 16 2 C 1S -0.00935 0.00000 0.00000 0.00000 -0.00000 17 2S -0.00073 0.00002 0.00002 0.00005 -0.00001 18 2PX -0.00005 0.00000 -0.00001 -0.00000 0.00001 19 2PY -0.00000 -0.00000 0.00000 -0.00001 0.00000 20 2PZ -0.00002 -0.00001 -0.00000 0.00000 -0.00000 21 3S 0.00503 -0.00003 -0.00025 -0.00035 0.00012 22 3PX 0.00149 -0.00009 -0.00008 -0.00016 0.00002 23 3PY 0.00177 0.00006 -0.00004 -0.00001 0.00001 24 3PZ -0.00091 0.00011 -0.00006 -0.00003 0.00000 25 4XX -0.00012 0.00000 -0.00000 0.00000 -0.00000 26 4YY -0.00025 -0.00000 0.00000 0.00001 0.00000 27 4ZZ -0.00005 0.00001 0.00000 0.00001 0.00000 28 4XY -0.00012 0.00000 -0.00000 -0.00001 0.00000 29 4XZ 0.00002 -0.00000 -0.00001 -0.00001 0.00000 30 4YZ 0.00010 -0.00000 -0.00000 0.00000 -0.00000 31 3 C 1S 0.99298 0.00001 0.00001 0.00000 0.00000 32 2S 0.05045 -0.00001 -0.00004 -0.00009 0.00004 33 2PX 0.00010 -0.00002 -0.00001 0.00000 -0.00001 34 2PY -0.00021 0.00000 -0.00000 0.00000 -0.00000 35 2PZ 0.00014 0.00001 -0.00001 -0.00002 0.00000 36 3S -0.02116 -0.00011 0.00024 0.00062 -0.00032 37 3PX -0.00108 -0.00001 0.00004 0.00019 -0.00009 38 3PY 0.00188 -0.00003 -0.00009 -0.00019 0.00010 39 3PZ -0.00050 0.00002 0.00007 0.00012 0.00002 40 4XX -0.00895 -0.00000 -0.00001 -0.00000 -0.00000 41 4YY -0.00891 0.00000 -0.00001 -0.00001 0.00000 42 4ZZ -0.00873 -0.00001 -0.00001 -0.00003 0.00001 43 4XY 0.00002 -0.00001 -0.00001 -0.00001 0.00000 44 4XZ 0.00005 0.00001 -0.00000 -0.00000 0.00000 45 4YZ 0.00002 -0.00000 -0.00000 -0.00000 -0.00000 46 4 C 1S -0.01208 0.00004 0.00001 0.00000 -0.00000 47 2S -0.00093 0.00004 -0.00003 0.00005 -0.00002 48 2PX 0.00011 -0.00001 -0.00001 -0.00005 0.00003 49 2PY -0.00002 -0.00005 -0.00000 0.00002 -0.00002 50 2PZ -0.00008 0.00000 0.00001 -0.00001 0.00000 51 3S 0.00563 0.00010 0.00024 -0.00064 0.00035 52 3PX -0.00284 -0.00031 0.00012 0.00012 -0.00023 53 3PY 0.00054 0.00009 0.00003 -0.00007 -0.00004 54 3PZ 0.00040 -0.00004 0.00017 -0.00010 0.00003 55 4XX -0.00024 -0.00006 -0.00001 -0.00003 0.00000 56 4YY -0.00007 0.00003 -0.00002 0.00000 0.00001 57 4ZZ -0.00008 -0.00001 0.00002 0.00002 -0.00001 58 4XY 0.00010 0.00001 0.00000 0.00001 -0.00001 59 4XZ 0.00004 -0.00003 0.00000 -0.00002 -0.00001 60 4YZ 0.00002 -0.00003 -0.00001 -0.00001 -0.00001 61 5 C 1S 0.00004 0.00002 -0.00003 -0.00003 0.00000 62 2S -0.00014 0.00005 -0.00024 -0.00022 0.00003 63 2PX 0.00018 -0.00013 -0.00005 -0.00006 -0.00002 64 2PY -0.00016 -0.00008 0.00006 -0.00003 -0.00002 65 2PZ -0.00001 0.00002 -0.00004 0.00003 -0.00003 66 3S 0.00011 -0.00139 0.00171 0.00160 -0.00059 67 3PX -0.00185 0.00096 0.00089 0.00132 -0.00000 68 3PY 0.00075 0.00118 -0.00093 0.00006 0.00046 69 3PZ 0.00074 -0.00013 0.00010 -0.00060 0.00046 70 4XX -0.00008 -0.00004 -0.00001 -0.00000 0.00001 71 4YY -0.00009 -0.00005 -0.00006 -0.00008 -0.00001 72 4ZZ -0.00004 -0.00003 -0.00009 -0.00007 0.00001 73 4XY 0.00006 -0.00007 -0.00003 -0.00005 0.00001 74 4XZ 0.00002 0.00003 -0.00003 -0.00003 0.00002 75 4YZ -0.00003 0.00003 0.00001 0.00001 -0.00000 76 6 C 1S 0.00003 -0.00004 0.00000 0.00000 -0.00001 77 2S 0.00015 -0.00025 0.00003 0.00002 -0.00004 78 2PX -0.00002 -0.00006 -0.00004 0.00001 0.00002 79 2PY -0.00002 0.00000 -0.00003 -0.00002 0.00000 80 2PZ -0.00005 0.00004 0.00001 0.00001 0.00000 81 3S -0.00142 0.00163 -0.00067 -0.00014 0.00068 82 3PX 0.00079 0.00162 -0.00011 -0.00008 0.00015 83 3PY -0.00134 0.00082 -0.00004 0.00066 -0.00023 84 3PZ 0.00028 -0.00070 -0.00005 -0.00015 -0.00012 85 4XX 0.00004 -0.00004 -0.00002 0.00001 -0.00000 86 4YY -0.00004 -0.00002 0.00002 0.00002 0.00001 87 4ZZ 0.00005 -0.00009 -0.00000 0.00000 0.00000 88 4XY 0.00003 0.00005 -0.00001 0.00002 -0.00001 89 4XZ -0.00002 -0.00003 -0.00000 -0.00001 -0.00001 90 4YZ 0.00001 -0.00004 0.00000 0.00000 -0.00001 91 7 C 1S -0.00000 -0.00001 -0.00000 -0.00000 0.00001 92 2S -0.00002 -0.00005 -0.00002 -0.00003 0.00003 93 2PX 0.00001 -0.00001 -0.00000 -0.00000 0.00000 94 2PY -0.00002 -0.00003 0.00000 0.00001 0.00002 95 2PZ 0.00001 0.00003 -0.00005 -0.00000 -0.00003 96 3S -0.00039 -0.00013 0.00010 0.00042 -0.00015 97 3PX 0.00001 -0.00054 -0.00007 -0.00019 0.00009 98 3PY -0.00028 -0.00015 0.00011 0.00033 -0.00049 99 3PZ 0.00007 0.00002 0.00012 -0.00003 0.00035 100 4XX -0.00001 -0.00001 0.00002 -0.00001 0.00002 101 4YY -0.00001 -0.00004 0.00002 0.00001 -0.00000 102 4ZZ -0.00002 -0.00002 -0.00001 -0.00000 0.00002 103 4XY -0.00001 -0.00003 0.00001 0.00000 0.00000 104 4XZ -0.00000 -0.00001 -0.00001 0.00001 0.00000 105 4YZ -0.00000 -0.00000 -0.00000 -0.00001 0.00000 106 8 C 1S 0.00000 -0.00002 0.00001 -0.00000 -0.00002 107 2S 0.00001 -0.00018 -0.00019 0.00001 -0.00019 108 2PX -0.00001 -0.00001 -0.00007 0.00001 -0.00004 109 2PY -0.00000 0.00001 -0.00002 0.00002 -0.00000 110 2PZ -0.00001 0.00002 0.00004 0.00001 0.00000 111 3S -0.00002 0.00157 0.00054 -0.00027 0.00151 112 3PX 0.00004 0.00019 -0.00004 -0.00016 0.00097 113 3PY 0.00006 0.00044 0.00013 -0.00031 0.00071 114 3PZ 0.00006 -0.00037 -0.00011 -0.00021 -0.00037 115 4XX 0.00001 -0.00003 -0.00005 0.00002 -0.00003 116 4YY 0.00000 -0.00002 -0.00001 -0.00000 -0.00002 117 4ZZ 0.00001 -0.00005 -0.00011 0.00001 -0.00005 118 4XY 0.00000 0.00002 -0.00004 -0.00001 0.00004 119 4XZ 0.00000 -0.00001 -0.00005 -0.00002 -0.00004 120 4YZ 0.00001 -0.00003 -0.00000 -0.00001 -0.00003 121 9 C 1S 0.00003 0.00007 -0.00352 0.00002 0.00004 122 2S -0.00003 -0.00041 -0.00044 0.00026 -0.00023 123 2PX -0.00000 -0.00006 -0.00009 0.00002 -0.00019 124 2PY 0.00000 -0.00018 0.00005 0.00001 -0.00006 125 2PZ 0.00001 0.00008 0.00005 -0.00000 0.00004 126 3S 0.00021 0.00174 0.00508 -0.00195 0.00057 127 3PX 0.00003 0.00097 0.00283 -0.00069 0.00093 128 3PY 0.00004 0.00127 -0.00114 -0.00045 0.00164 129 3PZ -0.00021 -0.00089 -0.00082 0.00128 -0.00095 130 4XX -0.00002 -0.00009 -0.00026 0.00008 -0.00009 131 4YY -0.00001 -0.00011 -0.00019 0.00008 -0.00007 132 4ZZ 0.00001 -0.00007 -0.00015 -0.00003 -0.00004 133 4XY -0.00000 -0.00002 0.00012 -0.00002 -0.00004 134 4XZ -0.00000 0.00001 0.00008 0.00004 -0.00001 135 4YZ -0.00001 -0.00004 0.00001 0.00002 -0.00002 136 10 C 1S 0.00005 -0.00369 0.00006 0.00004 0.00002 137 2S -0.00022 -0.00038 -0.00025 -0.00022 0.00029 138 2PX 0.00002 -0.00007 -0.00014 -0.00017 0.00007 139 2PY -0.00004 -0.00009 0.00012 -0.00000 0.00000 140 2PZ 0.00002 0.00004 0.00000 0.00011 -0.00002 141 3S 0.00173 0.00465 0.00064 0.00040 -0.00204 142 3PX -0.00111 0.00167 0.00178 0.00176 -0.00191 143 3PY 0.00070 0.00214 -0.00043 -0.00109 0.00002 144 3PZ 0.00001 -0.00159 -0.00050 -0.00032 -0.00037 145 4XX 0.00003 -0.00019 -0.00009 -0.00008 -0.00001 146 4YY -0.00006 -0.00028 -0.00007 -0.00006 0.00009 147 4ZZ -0.00007 -0.00010 -0.00007 -0.00009 0.00007 148 4XY -0.00004 -0.00007 0.00001 0.00002 -0.00001 149 4XZ -0.00004 0.00001 0.00003 0.00003 -0.00006 150 4YZ 0.00002 0.00010 -0.00003 -0.00002 -0.00000 151 11 C 1S -0.00001 0.99309 -0.00040 -0.00733 0.00047 152 2S 0.00004 0.05061 0.00024 -0.00072 -0.00031 153 2PX 0.00007 -0.00005 0.00003 -0.00008 -0.00020 154 2PY -0.00000 -0.00019 0.00004 0.00008 0.00004 155 2PZ -0.00002 0.00015 0.00004 0.00003 -0.00004 156 3S -0.00059 -0.02196 -0.00196 0.00578 0.00138 157 3PX -0.00018 -0.00031 -0.00035 0.00248 0.00025 158 3PY 0.00009 0.00215 0.00101 -0.00118 -0.00070 159 3PZ 0.00018 -0.00032 -0.00033 -0.00087 0.00076 160 4XX -0.00003 -0.00890 0.00011 -0.00025 -0.00009 161 4YY 0.00001 -0.00887 -0.00004 -0.00015 -0.00004 162 4ZZ -0.00001 -0.00869 0.00008 -0.00013 -0.00007 163 4XY 0.00001 -0.00002 0.00002 0.00007 -0.00003 164 4XZ 0.00001 0.00011 -0.00001 0.00013 -0.00002 165 4YZ -0.00002 -0.00001 -0.00001 -0.00002 -0.00004 166 12 H 1S -0.00003 0.00005 0.00001 -0.00013 -0.00002 167 2S 0.00027 0.00277 -0.00019 -0.00015 0.00061 168 13 H 1S 0.00001 0.00016 0.00014 -0.00022 -0.00010 169 2S -0.00003 0.00318 0.00000 -0.00002 -0.00042 170 14 C 1S -0.00004 0.00707 -0.00033 0.99192 -0.04810 171 2S -0.00011 0.00000 -0.00035 0.05040 -0.00275 172 2PX -0.00001 -0.00000 -0.00003 -0.00022 0.00004 173 2PY 0.00001 0.00003 0.00017 -0.00011 0.00001 174 2PZ -0.00001 -0.00002 -0.00005 0.00012 -0.00005 175 3S 0.00070 0.00527 0.00142 -0.02110 0.00616 176 3PX -0.00020 -0.00246 -0.00049 0.00152 0.00087 177 3PY -0.00006 0.00085 -0.00053 0.00071 -0.00186 178 3PZ 0.00020 0.00077 0.00030 -0.00171 0.00171 179 4XX -0.00000 -0.00035 -0.00007 -0.00888 0.00018 180 4YY -0.00002 -0.00030 -0.00008 -0.00878 0.00021 181 4ZZ -0.00002 -0.00022 -0.00008 -0.00888 0.00019 182 4XY -0.00001 0.00013 0.00003 0.00013 0.00010 183 4XZ -0.00001 0.00007 -0.00002 0.00004 -0.00009 184 4YZ -0.00001 -0.00002 -0.00005 0.00006 0.00012 185 15 H 1S -0.00001 -0.00013 -0.00003 0.00004 -0.00014 186 2S 0.00003 -0.00004 0.00040 0.00236 -0.00013 187 16 H 1S -0.00003 -0.00025 -0.00010 0.00018 -0.00025 188 2S -0.00003 -0.00008 -0.00033 0.00302 -0.00014 189 17 C 1S 0.00001 -0.00025 0.00768 0.04784 0.99192 190 2S 0.00004 -0.00033 0.00008 0.00211 0.05044 191 2PX 0.00001 0.00007 0.00004 0.00004 -0.00026 192 2PY -0.00001 -0.00016 -0.00000 0.00001 0.00004 193 2PZ 0.00001 0.00004 0.00001 0.00001 0.00008 194 3S -0.00038 0.00137 0.00493 0.00416 -0.02160 195 3PX 0.00012 -0.00061 -0.00173 -0.00108 0.00251 196 3PY -0.00002 0.00029 -0.00158 0.00176 -0.00019 197 3PZ 0.00007 0.00017 0.00104 -0.00145 0.00011 198 4XX -0.00000 -0.00004 -0.00029 -0.00061 -0.00887 199 4YY 0.00000 -0.00011 -0.00038 -0.00066 -0.00883 200 4ZZ 0.00001 -0.00009 -0.00021 -0.00070 -0.00879 201 4XY 0.00000 -0.00003 -0.00011 0.00004 -0.00007 202 4XZ -0.00001 -0.00002 0.00005 -0.00005 -0.00005 203 4YZ 0.00000 -0.00001 0.00010 0.00017 0.00011 204 18 C 1S -0.00003 0.00052 0.99307 -0.00020 -0.00794 205 2S -0.00004 0.00029 0.05050 -0.00038 -0.00072 206 2PX 0.00002 0.00000 -0.00020 -0.00008 -0.00004 207 2PY -0.00001 -0.00004 0.00013 -0.00009 -0.00009 208 2PZ 0.00001 -0.00006 -0.00005 0.00016 0.00001 209 3S 0.00015 -0.00196 -0.02134 0.00180 0.00565 210 3PX -0.00003 0.00039 0.00099 -0.00038 0.00177 211 3PY 0.00012 -0.00094 -0.00208 0.00067 0.00194 212 3PZ -0.00009 0.00041 0.00026 -0.00067 -0.00099 213 4XX -0.00001 0.00009 -0.00892 -0.00008 -0.00023 214 4YY -0.00001 -0.00004 -0.00891 -0.00006 -0.00019 215 4ZZ -0.00001 0.00008 -0.00875 -0.00011 -0.00006 216 4XY -0.00000 0.00004 0.00002 -0.00002 -0.00010 217 4XZ -0.00000 -0.00002 0.00011 0.00003 0.00006 218 4YZ -0.00000 -0.00002 -0.00001 -0.00004 0.00005 219 19 H 1S -0.00002 0.00016 0.00018 -0.00012 -0.00021 220 2S -0.00000 0.00005 0.00298 -0.00039 0.00002 221 20 H 1S 0.00001 0.00001 0.00006 -0.00003 -0.00013 222 2S 0.00005 -0.00018 0.00245 0.00048 -0.00012 223 21 H 1S 0.00002 -0.00008 -0.00024 -0.00024 0.00020 224 2S -0.00001 -0.00035 0.00000 0.00012 0.00302 225 22 H 1S 0.00001 -0.00004 -0.00013 -0.00013 0.00005 226 2S 0.00003 0.00038 -0.00002 0.00010 0.00236 227 23 H 1S -0.00006 -0.00024 -0.00011 -0.00010 0.00008 228 2S -0.00002 -0.00002 -0.00025 -0.00042 -0.00014 229 24 H 1S 0.00000 -0.00018 -0.00021 0.00010 -0.00011 230 2S 0.00004 -0.00034 0.00002 -0.00015 -0.00035 231 25 H 1S 0.00001 -0.00004 -0.00006 -0.00003 -0.00009 232 2S 0.00004 -0.00009 0.00003 -0.00007 0.00016 233 26 H 1S -0.00001 -0.00005 0.00005 0.00004 -0.00005 234 2S -0.00001 0.00010 -0.00020 0.00006 0.00002 235 27 H 1S 0.00001 -0.00004 -0.00002 -0.00001 -0.00004 236 2S -0.00011 -0.00009 -0.00003 0.00001 -0.00012 237 28 Br 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 238 2S 0.00003 0.00000 0.00002 -0.00001 0.00000 239 3S -0.00009 -0.00001 -0.00008 0.00002 -0.00001 240 4S -0.00001 -0.00001 -0.00001 0.00000 0.00000 241 5S 0.00015 0.00005 0.00009 -0.00011 0.00011 242 6S -0.00063 -0.00017 -0.00042 0.00031 -0.00025 243 7PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 244 7PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 245 7PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 246 8PX 0.00000 0.00000 -0.00001 0.00000 -0.00000 247 8PY -0.00001 0.00001 -0.00000 0.00000 -0.00000 248 8PZ -0.00000 0.00000 -0.00001 -0.00000 -0.00001 249 9PX -0.00002 -0.00001 0.00006 -0.00002 0.00002 250 9PY 0.00006 -0.00002 0.00002 -0.00001 0.00001 251 9PZ 0.00001 -0.00001 0.00004 0.00000 0.00004 252 10PX 0.00002 0.00000 -0.00007 0.00004 -0.00002 253 10PY -0.00010 -0.00004 0.00000 0.00008 -0.00003 254 10PZ -0.00007 -0.00009 -0.00002 0.00003 -0.00004 255 11XX 0.00006 0.00000 0.00006 -0.00001 0.00000 256 11YY 0.00006 0.00001 0.00006 -0.00002 0.00001 257 11ZZ 0.00007 0.00001 0.00006 -0.00001 0.00000 258 11XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 259 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 11YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 261 12XX 0.00019 0.00007 0.00014 -0.00007 0.00007 262 12YY 0.00019 -0.00002 0.00016 -0.00005 0.00004 263 12ZZ 0.00016 -0.00001 0.00017 -0.00007 0.00008 264 12XY -0.00000 -0.00000 0.00001 0.00002 0.00000 265 12XZ -0.00001 -0.00002 -0.00001 -0.00001 0.00000 266 12YZ -0.00001 -0.00003 0.00000 0.00002 -0.00000 267 29 C 1S 0.00007 0.00004 0.00001 0.00000 0.00000 268 2S 0.00005 0.00003 -0.00003 -0.00001 0.00003 269 2PX 0.00010 -0.00004 -0.00003 -0.00003 -0.00000 270 2PY 0.00003 -0.00005 0.00004 0.00002 0.00002 271 2PZ 0.00005 0.00006 0.00002 0.00003 0.00002 272 3S -0.00054 -0.00004 -0.00002 -0.00012 -0.00044 273 3PX 0.00007 0.00004 -0.00003 -0.00010 0.00003 274 3PY -0.00004 0.00027 0.00004 -0.00007 -0.00002 275 3PZ 0.00026 0.00003 -0.00011 0.00005 0.00009 276 4XX -0.00004 -0.00001 -0.00001 0.00001 0.00001 277 4YY -0.00001 -0.00000 -0.00004 -0.00001 0.00001 278 4ZZ -0.00005 -0.00006 -0.00001 -0.00002 -0.00000 279 4XY -0.00004 0.00003 0.00001 0.00001 -0.00000 280 4XZ -0.00006 0.00002 0.00002 0.00003 -0.00000 281 4YZ 0.00002 0.00001 -0.00000 0.00000 -0.00000 282 30 H 1S -0.00001 0.00000 0.00001 0.00001 0.00002 283 2S 0.00001 -0.00003 0.00002 -0.00000 0.00006 284 31 H 1S 0.00001 0.00005 -0.00002 0.00000 -0.00000 285 2S -0.00004 0.00004 0.00015 -0.00002 0.00005 286 32 H 1S 0.00007 0.00001 0.00000 -0.00000 -0.00001 287 2S 0.00004 -0.00042 -0.00002 0.00016 0.00014 288 33 H 1S -0.00020 0.00005 -0.00002 0.00001 0.00000 289 2S -0.00003 -0.00013 0.00012 0.00003 -0.00005 290 34 H 1S -0.00011 0.00003 -0.00000 -0.00001 0.00003 291 2S -0.00014 -0.00028 -0.00008 0.00020 -0.00008 292 35 H 1S 0.00014 0.00000 -0.00001 -0.00003 0.00001 293 2S 0.00296 0.00001 -0.00004 -0.00004 -0.00001 294 36 H 1S 0.00008 -0.00000 -0.00000 -0.00000 0.00001 295 2S 0.00247 0.00002 0.00003 0.00004 0.00001 296 37 H 1S -0.00024 0.00001 0.00001 0.00002 -0.00000 297 2S -0.00005 0.00007 -0.00003 -0.00000 0.00000 298 38 H 1S -0.00012 -0.00001 0.00001 0.00000 -0.00000 299 2S -0.00004 -0.00003 0.00002 -0.00001 -0.00002 300 39 H 1S -0.00013 -0.00002 -0.00002 -0.00001 0.00000 301 2S -0.00037 0.00003 -0.00004 -0.00002 -0.00002 302 40 H 1S -0.00001 -0.00003 0.00000 -0.00000 -0.00000 303 2S 0.00060 -0.00007 0.00003 -0.00004 0.00005 21 22 23 24 25 O O O O O Eigenvalues -- -8.77216 -6.72590 -6.71413 -6.71066 -2.84148 1 1 C 1S 0.00024 -0.00015 -0.00007 0.00008 0.00003 2 2S 0.00156 -0.00068 -0.00030 0.00042 0.00016 3 2PX -0.00013 -0.00004 -0.00001 -0.00000 0.00008 4 2PY 0.00004 0.00019 0.00011 -0.00008 -0.00011 5 2PZ -0.00091 0.00030 0.00023 -0.00016 -0.00010 6 3S -0.00520 0.00441 0.00012 -0.00223 -0.00074 7 3PX -0.00293 0.00119 -0.00044 -0.00120 -0.00022 8 3PY 0.00424 -0.00169 -0.00222 0.00102 0.00011 9 3PZ 0.00692 -0.00244 -0.00086 0.00137 0.00063 10 4XX 0.00011 -0.00022 -0.00013 -0.00001 0.00005 11 4YY -0.00009 -0.00015 -0.00005 0.00008 0.00007 12 4ZZ 0.00015 -0.00026 -0.00017 0.00012 0.00004 13 4XY 0.00037 -0.00008 -0.00013 0.00007 -0.00003 14 4XZ 0.00034 -0.00009 -0.00002 0.00006 -0.00002 15 4YZ -0.00041 0.00000 0.00005 0.00001 0.00000 16 2 C 1S 0.00005 -0.00001 0.00000 -0.00003 -0.00001 17 2S 0.00016 -0.00002 0.00004 -0.00013 -0.00007 18 2PX 0.00088 -0.00017 -0.00022 0.00007 -0.00005 19 2PY -0.00051 0.00008 0.00009 -0.00003 0.00001 20 2PZ 0.00044 -0.00006 -0.00009 0.00010 -0.00001 21 3S 0.00206 -0.00056 -0.00057 0.00128 0.00046 22 3PX -0.00537 0.00044 0.00124 0.00009 0.00058 23 3PY -0.00356 0.00125 0.00089 -0.00065 -0.00021 24 3PZ -0.00223 -0.00017 0.00082 -0.00056 0.00017 25 4XX 0.00020 -0.00006 -0.00005 -0.00002 0.00000 26 4YY 0.00025 -0.00012 -0.00006 0.00003 0.00001 27 4ZZ -0.00010 0.00002 0.00008 -0.00007 -0.00001 28 4XY -0.00022 0.00009 0.00008 -0.00003 -0.00000 29 4XZ -0.00008 -0.00002 0.00005 0.00002 0.00003 30 4YZ 0.00008 0.00000 -0.00001 0.00000 -0.00001 31 3 C 1S -0.00027 0.00003 0.00006 -0.00001 0.00001 32 2S -0.00130 0.00016 0.00027 -0.00003 0.00006 33 2PX -0.00003 -0.00002 0.00002 0.00003 0.00001 34 2PY 0.00024 -0.00001 -0.00005 0.00001 -0.00000 35 2PZ 0.00009 -0.00001 -0.00004 -0.00002 -0.00002 36 3S 0.00858 -0.00126 -0.00198 0.00017 -0.00047 37 3PX 0.00132 0.00038 -0.00044 -0.00001 -0.00022 38 3PY -0.00516 0.00065 0.00082 0.00004 0.00025 39 3PZ 0.00102 -0.00008 -0.00013 0.00021 0.00000 40 4XX -0.00044 0.00006 0.00007 -0.00001 0.00001 41 4YY 0.00004 -0.00000 0.00001 -0.00002 -0.00001 42 4ZZ -0.00055 0.00006 0.00013 0.00001 0.00002 43 4XY -0.00024 0.00001 0.00003 -0.00000 0.00001 44 4XZ -0.00007 0.00001 0.00002 -0.00002 0.00000 45 4YZ -0.00014 0.00002 0.00004 -0.00001 0.00001 46 4 C 1S 0.00013 -0.00002 0.00001 0.00001 -0.00000 47 2S 0.00048 -0.00008 0.00007 0.00005 -0.00003 48 2PX 0.00002 -0.00000 0.00001 -0.00002 -0.00001 49 2PY -0.00098 0.00018 0.00016 0.00005 0.00001 50 2PZ 0.00042 -0.00002 -0.00008 -0.00005 -0.00005 51 3S 0.00030 -0.00048 -0.00032 -0.00076 0.00025 52 3PX 0.00367 -0.00043 -0.00088 -0.00000 -0.00014 53 3PY 0.00219 -0.00048 0.00052 0.00010 0.00004 54 3PZ -0.00276 -0.00010 0.00116 0.00003 0.00027 55 4XX 0.00016 -0.00004 0.00003 0.00002 0.00001 56 4YY 0.00059 -0.00011 -0.00016 -0.00001 -0.00001 57 4ZZ -0.00004 0.00002 0.00013 0.00001 0.00000 58 4XY 0.00010 -0.00001 0.00002 -0.00001 -0.00000 59 4XZ -0.00003 0.00001 0.00002 0.00001 -0.00000 60 4YZ -0.00001 0.00000 0.00003 0.00000 -0.00000 61 5 C 1S 0.00005 -0.00003 -0.00008 -0.00003 -0.00003 62 2S -0.00000 0.00005 -0.00031 -0.00010 -0.00018 63 2PX -0.00028 0.00004 -0.00002 -0.00002 0.00002 64 2PY -0.00043 0.00035 0.00024 0.00007 -0.00009 65 2PZ -0.00083 0.00021 0.00027 0.00008 -0.00003 66 3S 0.00953 -0.00279 0.00147 0.00013 0.00175 67 3PX 0.00111 -0.00021 0.00187 -0.00034 -0.00002 68 3PY -0.00143 0.00107 -0.00297 0.00025 -0.00060 69 3PZ 0.00810 -0.00220 -0.00239 -0.00055 0.00048 70 4XX 0.00034 -0.00010 -0.00015 -0.00008 -0.00001 71 4YY 0.00017 -0.00028 -0.00002 -0.00008 0.00008 72 4ZZ 0.00022 -0.00019 -0.00021 -0.00005 -0.00000 73 4XY -0.00021 0.00002 -0.00002 0.00006 0.00000 74 4XZ 0.00014 -0.00002 -0.00005 -0.00004 -0.00000 75 4YZ -0.00016 -0.00001 -0.00005 -0.00005 0.00003 76 6 C 1S -0.00006 0.00009 0.00017 -0.00005 -0.00006 77 2S -0.00176 0.00013 0.00077 -0.00032 0.00095 78 2PX 0.00019 0.00005 0.00006 0.00015 -0.00002 79 2PY 0.00016 -0.00074 -0.00039 0.00003 -0.00009 80 2PZ 0.00015 -0.00037 -0.00021 0.00002 0.00004 81 3S -0.00809 0.00351 -0.00674 0.00338 -0.00209 82 3PX -0.01021 0.00458 -0.00268 -0.00115 -0.00053 83 3PY 0.00039 -0.00062 0.00505 -0.00094 0.00084 84 3PZ -0.00095 0.00021 -0.00024 -0.00012 0.00136 85 4XX 0.00014 0.00033 0.00019 0.00007 -0.00000 86 4YY 0.00126 0.00043 0.00003 -0.00004 -0.00037 87 4ZZ 0.00084 0.00029 0.00043 -0.00007 -0.00022 88 4XY -0.00006 0.00003 0.00017 -0.00012 -0.00000 89 4XZ 0.00010 -0.00008 0.00002 -0.00002 0.00003 90 4YZ 0.00104 0.00015 0.00018 0.00005 -0.00035 91 7 C 1S -0.00029 0.00038 -0.00017 0.00005 -0.00036 92 2S -0.00263 0.00221 -0.00104 0.00028 0.00063 93 2PX -0.00068 -0.00003 -0.00011 0.00011 -0.00019 94 2PY -0.00130 0.00030 0.00016 0.00003 -0.00000 95 2PZ -0.00187 -0.00062 0.00005 -0.00022 -0.00055 96 3S 0.00639 -0.00824 0.00871 -0.00231 -0.00358 97 3PX 0.00958 -0.00359 -0.00004 -0.00088 0.00153 98 3PY 0.00771 -0.00391 0.00364 -0.00091 0.00105 99 3PZ 0.00318 0.00282 -0.00242 0.00098 0.00216 100 4XX 0.00052 0.00061 -0.00013 -0.00007 0.00010 101 4YY 0.00031 0.00047 -0.00009 0.00005 0.00017 102 4ZZ 0.00203 -0.00006 -0.00006 0.00015 0.00063 103 4XY 0.00027 0.00010 -0.00011 0.00005 -0.00002 104 4XZ 0.00083 -0.00037 0.00013 -0.00004 0.00025 105 4YZ 0.00092 -0.00013 -0.00012 0.00001 0.00008 106 8 C 1S 0.00038 -0.00027 0.00007 -0.00011 0.00009 107 2S 0.00255 -0.00133 0.00043 -0.00057 0.00039 108 2PX 0.00017 0.00000 0.00009 0.00003 -0.00022 109 2PY 0.00037 0.00003 0.00002 -0.00001 0.00005 110 2PZ -0.00034 0.00032 -0.00011 0.00019 -0.00019 111 3S -0.01311 0.00980 -0.00261 0.00315 -0.00246 112 3PX 0.00599 -0.00121 0.00043 -0.00068 0.00013 113 3PY -0.00745 0.00271 -0.00149 0.00106 -0.00112 114 3PZ 0.00589 -0.00471 0.00176 -0.00202 0.00091 115 4XX -0.00019 -0.00027 -0.00001 -0.00007 0.00017 116 4YY 0.00019 -0.00022 0.00003 -0.00009 0.00014 117 4ZZ 0.00005 -0.00034 0.00009 -0.00016 0.00016 118 4XY 0.00012 -0.00003 0.00006 -0.00002 -0.00001 119 4XZ -0.00057 0.00012 -0.00009 0.00009 0.00011 120 4YZ 0.00005 -0.00013 0.00005 -0.00004 0.00000 121 9 C 1S -0.00010 0.00017 -0.00003 0.00005 -0.00006 122 2S -0.00090 0.00098 -0.00018 0.00035 -0.00032 123 2PX -0.00033 0.00017 -0.00006 0.00009 0.00003 124 2PY -0.00035 -0.00006 0.00002 0.00004 0.00001 125 2PZ -0.00023 -0.00009 0.00004 -0.00001 -0.00003 126 3S 0.00989 -0.00880 0.00202 -0.00303 0.00253 127 3PX -0.00766 0.00321 -0.00063 0.00160 -0.00138 128 3PY 0.00278 0.00170 -0.00065 0.00013 -0.00065 129 3PZ -0.00040 0.00220 -0.00039 0.00066 -0.00022 130 4XX 0.00042 -0.00009 0.00002 -0.00007 0.00001 131 4YY 0.00012 0.00010 0.00002 0.00001 -0.00007 132 4ZZ -0.00002 0.00018 -0.00002 0.00007 -0.00006 133 4XY 0.00014 -0.00008 0.00005 -0.00002 0.00005 134 4XZ 0.00033 -0.00008 -0.00002 -0.00009 0.00004 135 4YZ 0.00004 0.00003 -0.00001 -0.00002 -0.00002 136 10 C 1S 0.00002 -0.00011 0.00007 0.00000 0.00003 137 2S 0.00029 -0.00045 0.00041 0.00003 0.00015 138 2PX -0.00054 0.00033 0.00016 0.00023 -0.00011 139 2PY -0.00045 0.00036 0.00004 0.00017 -0.00014 140 2PZ 0.00082 -0.00010 -0.00008 -0.00018 -0.00005 141 3S 0.00184 0.00278 -0.00460 -0.00092 -0.00114 142 3PX 0.00295 -0.00151 0.00074 -0.00120 0.00084 143 3PY 0.00403 -0.00420 -0.00051 -0.00166 0.00123 144 3PZ -0.01249 0.00296 0.00033 0.00254 -0.00044 145 4XX -0.00010 -0.00028 -0.00006 -0.00001 0.00008 146 4YY -0.00004 -0.00016 0.00005 -0.00003 0.00006 147 4ZZ -0.00008 -0.00009 0.00006 0.00002 0.00001 148 4XY 0.00016 -0.00020 0.00001 -0.00011 0.00006 149 4XZ -0.00001 0.00004 0.00000 0.00002 -0.00001 150 4YZ 0.00015 -0.00002 0.00002 -0.00004 -0.00001 151 11 C 1S 0.00006 -0.00004 -0.00003 -0.00003 0.00001 152 2S 0.00048 -0.00029 -0.00018 -0.00021 0.00006 153 2PX 0.00026 -0.00006 -0.00003 -0.00009 0.00003 154 2PY 0.00039 -0.00006 -0.00005 -0.00011 0.00002 155 2PZ 0.00001 0.00005 -0.00001 -0.00001 -0.00001 156 3S -0.00621 0.00286 0.00139 0.00226 -0.00077 157 3PX 0.00220 -0.00137 -0.00049 -0.00070 0.00027 158 3PY 0.00154 -0.00087 -0.00040 -0.00059 0.00023 159 3PZ 0.00123 -0.00021 0.00020 0.00007 -0.00007 160 4XX -0.00021 0.00006 0.00001 0.00004 -0.00001 161 4YY -0.00018 0.00001 -0.00000 0.00004 -0.00001 162 4ZZ 0.00022 -0.00007 -0.00004 -0.00006 0.00000 163 4XY -0.00018 0.00009 0.00005 0.00006 -0.00002 164 4XZ -0.00018 -0.00001 -0.00001 0.00001 0.00001 165 4YZ -0.00010 -0.00002 -0.00001 -0.00000 0.00001 166 12 H 1S 0.00021 -0.00014 -0.00005 -0.00006 0.00002 167 2S 0.00097 -0.00025 -0.00002 -0.00017 0.00001 168 13 H 1S 0.00000 -0.00002 -0.00006 -0.00004 0.00000 169 2S -0.00002 0.00016 -0.00007 -0.00014 0.00006 170 14 C 1S 0.00006 -0.00000 0.00000 -0.00001 0.00000 171 2S 0.00026 0.00000 0.00001 -0.00005 0.00001 172 2PX 0.00007 -0.00001 0.00000 -0.00001 -0.00000 173 2PY 0.00005 -0.00007 0.00000 -0.00003 0.00002 174 2PZ 0.00003 -0.00001 -0.00001 -0.00001 0.00000 175 3S -0.00129 0.00024 -0.00018 0.00027 -0.00011 176 3PX -0.00076 0.00038 0.00015 0.00020 -0.00008 177 3PY 0.00020 0.00033 0.00011 0.00005 -0.00006 178 3PZ -0.00025 0.00037 -0.00011 0.00000 -0.00011 179 4XX 0.00014 -0.00003 -0.00001 -0.00003 0.00000 180 4YY 0.00007 0.00002 0.00001 -0.00001 -0.00000 181 4ZZ 0.00011 0.00001 -0.00002 -0.00003 -0.00000 182 4XY -0.00009 0.00000 0.00001 0.00002 -0.00000 183 4XZ 0.00005 -0.00001 0.00001 -0.00001 -0.00000 184 4YZ 0.00006 -0.00001 -0.00000 -0.00002 0.00000 185 15 H 1S 0.00016 -0.00007 -0.00002 -0.00005 0.00002 186 2S 0.00010 -0.00013 0.00001 -0.00004 0.00002 187 16 H 1S -0.00034 0.00008 0.00004 0.00009 -0.00001 188 2S 0.00122 0.00015 -0.00010 -0.00030 -0.00007 189 17 C 1S -0.00001 0.00003 -0.00001 0.00001 -0.00001 190 2S -0.00011 0.00015 -0.00008 0.00004 -0.00004 191 2PX -0.00005 0.00000 -0.00000 0.00001 0.00003 192 2PY 0.00001 0.00005 0.00000 0.00002 -0.00001 193 2PZ -0.00008 0.00002 0.00000 0.00002 -0.00001 194 3S 0.00108 -0.00092 0.00063 -0.00031 0.00005 195 3PX 0.00004 0.00042 -0.00032 0.00006 -0.00018 196 3PY 0.00026 -0.00025 -0.00018 -0.00010 0.00021 197 3PZ 0.00007 -0.00010 0.00004 -0.00006 -0.00001 198 4XX -0.00002 0.00001 0.00001 0.00000 -0.00000 199 4YY 0.00003 0.00001 -0.00002 -0.00000 -0.00001 200 4ZZ 0.00002 0.00004 -0.00002 -0.00000 -0.00001 201 4XY 0.00002 -0.00004 0.00003 -0.00001 0.00000 202 4XZ -0.00005 0.00001 -0.00000 0.00001 0.00000 203 4YZ 0.00001 0.00000 -0.00001 -0.00000 0.00000 204 18 C 1S -0.00016 0.00001 -0.00000 0.00002 -0.00000 205 2S -0.00062 -0.00006 0.00003 0.00007 -0.00001 206 2PX 0.00016 -0.00018 0.00006 -0.00007 0.00000 207 2PY 0.00021 -0.00002 0.00005 -0.00004 -0.00001 208 2PZ 0.00006 0.00008 -0.00002 0.00000 -0.00001 209 3S 0.00528 0.00109 -0.00046 -0.00045 0.00003 210 3PX -0.00186 -0.00056 -0.00002 0.00010 0.00027 211 3PY -0.00064 0.00045 -0.00051 0.00025 0.00012 212 3PZ 0.00090 -0.00066 0.00020 -0.00025 0.00015 213 4XX -0.00025 0.00018 -0.00006 0.00008 -0.00003 214 4YY -0.00037 0.00005 -0.00003 0.00007 0.00001 215 4ZZ -0.00025 0.00001 -0.00001 0.00003 -0.00001 216 4XY -0.00000 0.00000 -0.00001 -0.00001 -0.00001 217 4XZ -0.00001 0.00001 0.00001 0.00001 -0.00001 218 4YZ 0.00009 -0.00003 0.00002 -0.00002 0.00000 219 19 H 1S -0.00012 0.00001 0.00001 0.00000 0.00003 220 2S -0.00078 -0.00039 -0.00012 0.00008 0.00007 221 20 H 1S -0.00024 0.00000 -0.00001 0.00004 -0.00001 222 2S -0.00069 0.00043 -0.00021 0.00020 -0.00007 223 21 H 1S -0.00012 0.00009 -0.00002 0.00004 -0.00002 224 2S -0.00007 0.00008 0.00005 0.00004 -0.00001 225 22 H 1S -0.00004 -0.00001 -0.00001 0.00000 0.00002 226 2S 0.00006 -0.00010 -0.00000 -0.00003 0.00011 227 23 H 1S 0.00036 -0.00035 0.00008 -0.00032 0.00008 228 2S -0.01189 0.00060 0.00104 0.00273 0.00019 229 24 H 1S -0.00053 0.00008 0.00001 0.00006 -0.00004 230 2S -0.00009 -0.00074 0.00017 -0.00022 0.00017 231 25 H 1S 0.00135 -0.00063 0.00033 -0.00034 0.00006 232 2S -0.00566 -0.00004 -0.00078 0.00039 -0.00003 233 26 H 1S -0.00002 0.00005 -0.00007 0.00004 0.00005 234 2S -0.00204 0.00104 -0.00041 0.00067 -0.00049 235 27 H 1S 0.00062 -0.00038 0.00001 0.00002 0.00045 236 2S -0.00063 -0.00061 0.00011 -0.00103 0.00017 237 28 Br 1S 0.16776 -0.00087 0.00003 0.00001 -0.00050 238 2S -0.94059 0.00575 0.00002 0.00006 0.00320 239 3S 0.86770 -0.00716 -0.00037 -0.00029 -0.00386 240 4S 1.24508 -0.00621 0.00019 0.00007 -0.00499 241 5S 0.29117 0.00332 0.00144 0.00131 -0.00304 242 6S 0.27527 -0.01664 -0.00485 -0.00380 0.01388 243 7PX -0.00055 -0.08485 0.14485 -0.39769 0.00022 244 7PY -0.00120 -0.18698 -0.37665 -0.09727 0.00053 245 7PZ -0.00223 -0.37950 0.15322 0.13688 0.00103 246 8PX 0.00143 0.20819 -0.35550 0.97609 -0.00056 247 8PY 0.00316 0.45881 0.92442 0.23873 -0.00138 248 8PZ 0.00564 0.93123 -0.37606 -0.33598 -0.00269 249 9PX -0.00162 0.00600 -0.00918 0.02489 -0.00005 250 9PY -0.00441 0.01301 0.02386 0.00617 0.00004 251 9PZ -0.00380 0.02570 -0.00949 -0.00820 0.00010 252 10PX 0.00368 -0.00192 0.00224 -0.00697 0.00116 253 10PY 0.00877 -0.00455 -0.00659 -0.00210 0.00223 254 10PZ 0.01027 -0.00776 0.00182 0.00185 0.00480 255 11XX -0.44111 0.00262 0.00004 0.00092 -0.36689 256 11YY -0.44027 0.00314 0.00162 0.00056 -0.28320 257 11ZZ -0.43903 0.00529 -0.00082 -0.00088 0.65517 258 11XY 0.00001 0.00038 0.00009 0.00099 0.19936 259 11XZ 0.00064 0.00071 -0.00077 0.00166 0.25398 260 11YZ 0.00096 0.00166 0.00136 0.00015 0.67596 261 12XX -0.14054 0.00542 0.00128 0.00099 -0.01166 262 12YY -0.14026 0.00522 0.00144 0.00088 -0.00922 263 12ZZ -0.13919 0.00554 0.00108 0.00118 0.01295 264 12XY 0.00043 -0.00001 -0.00007 -0.00025 0.00452 265 12XZ 0.00034 0.00016 -0.00015 -0.00005 0.00621 266 12YZ 0.00072 -0.00006 -0.00004 -0.00008 0.01592 267 29 C 1S 0.00002 -0.00001 -0.00003 0.00000 0.00004 268 2S 0.00018 -0.00011 -0.00019 -0.00000 0.00021 269 2PX 0.00003 -0.00005 -0.00002 0.00001 -0.00001 270 2PY 0.00026 -0.00011 -0.00005 0.00001 -0.00004 271 2PZ 0.00024 -0.00005 -0.00005 -0.00003 0.00001 272 3S -0.00444 0.00126 0.00194 0.00005 -0.00097 273 3PX 0.00003 0.00021 -0.00031 -0.00010 0.00025 274 3PY 0.00147 -0.00021 -0.00021 -0.00026 0.00061 275 3PZ 0.00166 -0.00050 -0.00093 0.00004 0.00022 276 4XX 0.00003 0.00001 -0.00003 -0.00001 0.00006 277 4YY -0.00015 0.00003 -0.00003 0.00004 0.00000 278 4ZZ -0.00005 0.00004 0.00006 0.00001 0.00004 279 4XY 0.00001 0.00001 0.00003 0.00000 -0.00001 280 4XZ -0.00007 0.00001 0.00006 0.00001 -0.00002 281 4YZ -0.00024 0.00008 0.00006 0.00001 -0.00004 282 30 H 1S 0.00016 -0.00002 -0.00008 -0.00002 0.00003 283 2S -0.00032 0.00007 -0.00009 0.00006 0.00013 284 31 H 1S 0.00015 -0.00003 -0.00003 -0.00003 0.00012 285 2S -0.00010 0.00003 0.00018 0.00003 -0.00006 286 32 H 1S 0.00003 -0.00004 -0.00005 0.00003 0.00001 287 2S 0.00047 -0.00032 -0.00017 0.00011 -0.00018 288 33 H 1S 0.00132 -0.00016 -0.00024 -0.00009 -0.00005 289 2S -0.00441 0.00015 0.00159 0.00047 0.00024 290 34 H 1S -0.00047 0.00009 0.00009 0.00002 -0.00001 291 2S -0.00194 0.00026 0.00013 0.00006 0.00006 292 35 H 1S -0.00028 0.00003 0.00005 -0.00003 0.00001 293 2S 0.00095 -0.00007 -0.00014 -0.00007 -0.00008 294 36 H 1S -0.00025 0.00006 0.00007 0.00000 0.00001 295 2S 0.00090 -0.00002 -0.00010 0.00006 -0.00000 296 37 H 1S 0.00116 0.00002 -0.00029 0.00003 -0.00015 297 2S -0.00810 0.00051 0.00206 -0.00107 0.00028 298 38 H 1S -0.00055 0.00003 0.00012 -0.00002 0.00002 299 2S -0.00192 0.00030 0.00041 -0.00004 0.00021 300 39 H 1S -0.00054 0.00014 0.00014 -0.00006 -0.00002 301 2S -0.00330 0.00097 0.00077 -0.00058 -0.00040 302 40 H 1S 0.00119 -0.00048 -0.00025 0.00035 0.00010 303 2S -0.00261 0.00002 -0.00082 -0.00051 -0.00014 26 27 28 29 30 O O O O O Eigenvalues -- -2.83899 -2.83620 -2.82684 -2.82666 -1.06253 1 1 C 1S 0.00008 -0.00008 -0.00006 0.00001 0.05591 2 2S 0.00032 -0.00035 -0.00021 0.00007 -0.10477 3 2PX 0.00014 -0.00004 -0.00009 -0.00007 -0.04397 4 2PY -0.00021 0.00016 0.00019 0.00000 0.00994 5 2PZ -0.00021 0.00025 0.00020 -0.00000 0.00957 6 3S -0.00111 0.00189 0.00018 -0.00113 -0.06614 7 3PX -0.00034 0.00023 -0.00020 -0.00033 -0.00560 8 3PY 0.00070 -0.00035 -0.00050 -0.00002 -0.00138 9 3PZ 0.00045 -0.00191 -0.00105 0.00072 -0.00192 10 4XX 0.00010 -0.00006 -0.00008 -0.00003 -0.00485 11 4YY 0.00015 -0.00017 -0.00014 0.00000 0.00110 12 4ZZ 0.00022 -0.00012 -0.00015 -0.00005 0.00183 13 4XY -0.00003 0.00001 0.00003 0.00001 0.00170 14 4XZ -0.00007 -0.00001 -0.00000 0.00004 0.00121 15 4YZ 0.00004 -0.00008 -0.00006 0.00003 -0.00039 16 2 C 1S -0.00003 0.00003 0.00003 -0.00001 0.02264 17 2S -0.00017 0.00018 0.00017 -0.00004 -0.04225 18 2PX 0.00003 -0.00003 -0.00009 -0.00007 -0.01554 19 2PY -0.00004 0.00002 0.00003 0.00005 0.00714 20 2PZ 0.00001 -0.00004 -0.00006 0.00000 -0.00992 21 3S 0.00099 -0.00146 -0.00143 0.00032 -0.02541 22 3PX 0.00027 -0.00039 0.00019 0.00059 -0.00083 23 3PY -0.00027 0.00083 0.00059 -0.00029 0.00135 24 3PZ -0.00021 -0.00031 0.00028 0.00024 -0.00324 25 4XX 0.00001 0.00002 0.00003 -0.00003 -0.00061 26 4YY 0.00001 -0.00002 -0.00001 0.00000 -0.00029 27 4ZZ -0.00007 0.00004 0.00007 0.00002 -0.00054 28 4XY -0.00004 0.00005 0.00004 0.00001 0.00089 29 4XZ 0.00000 -0.00003 0.00001 0.00004 -0.00129 30 4YZ -0.00000 0.00002 -0.00000 -0.00002 0.00135 31 3 C 1S -0.00000 0.00000 0.00000 0.00001 0.01627 32 2S 0.00002 0.00002 0.00000 0.00006 -0.02989 33 2PX -0.00002 -0.00005 -0.00001 0.00002 -0.00599 34 2PY 0.00005 -0.00001 -0.00002 -0.00004 0.01093 35 2PZ -0.00001 0.00001 0.00000 -0.00004 -0.00436 36 3S -0.00033 -0.00017 0.00003 -0.00042 -0.02189 37 3PX -0.00000 0.00024 0.00009 -0.00032 -0.00042 38 3PY 0.00011 0.00000 0.00007 0.00036 0.00240 39 3PZ 0.00005 -0.00012 -0.00007 0.00016 0.00139 40 4XX -0.00001 -0.00000 0.00001 0.00001 -0.00076 41 4YY -0.00003 0.00001 0.00000 -0.00000 -0.00063 42 4ZZ -0.00002 0.00001 0.00000 0.00005 0.00048 43 4XY 0.00001 -0.00000 0.00000 0.00001 0.00024 44 4XZ -0.00001 -0.00001 0.00001 0.00000 0.00014 45 4YZ -0.00000 -0.00000 0.00001 0.00001 0.00053 46 4 C 1S -0.00004 -0.00002 -0.00002 0.00002 0.02617 47 2S -0.00018 -0.00012 -0.00012 0.00009 -0.04914 48 2PX -0.00001 0.00003 -0.00003 0.00001 -0.00191 49 2PY -0.00001 -0.00001 -0.00004 0.00002 0.01465 50 2PZ -0.00003 0.00002 0.00005 -0.00002 -0.01637 51 3S 0.00085 0.00102 0.00107 -0.00009 -0.02786 52 3PX -0.00001 0.00021 0.00037 -0.00029 -0.00173 53 3PY -0.00038 -0.00048 -0.00026 0.00020 0.00035 54 3PZ -0.00007 0.00042 -0.00014 0.00060 -0.00180 55 4XX -0.00005 -0.00003 -0.00003 0.00004 0.00001 56 4YY 0.00001 0.00000 0.00002 -0.00002 -0.00070 57 4ZZ -0.00008 -0.00000 -0.00005 0.00008 -0.00097 58 4XY -0.00001 -0.00001 -0.00000 -0.00001 0.00082 59 4XZ -0.00001 0.00002 0.00001 0.00001 -0.00088 60 4YZ -0.00001 -0.00002 -0.00001 -0.00000 0.00192 61 5 C 1S 0.00001 -0.00001 -0.00001 -0.00002 0.06848 62 2S -0.00007 -0.00013 -0.00014 -0.00006 -0.12642 63 2PX -0.00002 -0.00005 -0.00005 0.00001 0.02366 64 2PY -0.00023 -0.00009 -0.00017 0.00011 0.03584 65 2PZ -0.00012 -0.00018 -0.00015 0.00004 -0.01403 66 3S 0.00080 0.00117 0.00189 0.00037 -0.09185 67 3PX -0.00052 0.00058 0.00011 0.00093 0.00581 68 3PY 0.00041 -0.00101 -0.00053 -0.00098 0.00434 69 3PZ 0.00089 0.00150 0.00138 -0.00025 -0.00754 70 4XX 0.00003 0.00001 0.00003 -0.00001 0.00047 71 4YY 0.00015 0.00014 0.00011 -0.00002 -0.00126 72 4ZZ 0.00008 0.00001 0.00004 -0.00006 0.00233 73 4XY 0.00005 -0.00002 0.00002 -0.00007 -0.00335 74 4XZ 0.00006 -0.00000 0.00001 -0.00003 0.00181 75 4YZ 0.00010 0.00010 0.00006 -0.00002 0.00209 76 6 C 1S -0.00005 0.00002 0.00002 -0.00002 0.12388 77 2S 0.00076 0.00008 0.00010 -0.00050 -0.24195 78 2PX -0.00013 0.00008 0.00021 0.00004 -0.01910 79 2PY -0.00002 0.00003 0.00003 -0.00004 0.03997 80 2PZ -0.00036 -0.00005 -0.00006 0.00014 0.00106 81 3S -0.00106 -0.00186 -0.00115 0.00235 -0.16460 82 3PX 0.00032 0.00018 -0.00169 -0.00079 0.00340 83 3PY 0.00027 -0.00023 -0.00076 -0.00030 0.00953 84 3PZ 0.00229 0.00047 0.00044 -0.00068 0.00672 85 4XX 0.00003 0.00001 0.00000 -0.00002 0.00223 86 4YY -0.00008 0.00000 0.00002 0.00001 -0.00354 87 4ZZ -0.00022 -0.00002 0.00003 0.00002 0.01001 88 4XY -0.00010 0.00004 -0.00001 0.00001 0.00223 89 4XZ 0.00000 0.00009 -0.00000 0.00001 0.00148 90 4YZ -0.00026 0.00001 0.00002 0.00008 0.00167 91 7 C 1S 0.00011 0.00000 0.00001 0.00004 0.10861 92 2S -0.00031 0.00001 0.00002 -0.00019 -0.20845 93 2PX 0.00008 0.00036 -0.00020 -0.00001 0.01966 94 2PY 0.00034 0.00012 -0.00004 0.00016 -0.04942 95 2PZ 0.00045 0.00002 -0.00001 0.00006 0.04211 96 3S 0.00134 0.00012 -0.00005 0.00159 -0.15888 97 3PX -0.00051 -0.00196 0.00133 0.00100 0.00486 98 3PY -0.00194 -0.00060 0.00056 -0.00118 -0.00745 99 3PZ -0.00110 -0.00027 0.00012 0.00025 0.01658 100 4XX -0.00013 0.00003 0.00001 0.00001 0.00177 101 4YY -0.00015 0.00008 0.00001 -0.00002 -0.00005 102 4ZZ -0.00044 -0.00005 -0.00001 -0.00017 0.00145 103 4XY 0.00002 0.00009 -0.00001 0.00000 0.00266 104 4XZ -0.00016 0.00005 0.00004 -0.00005 -0.00298 105 4YZ -0.00004 -0.00002 0.00000 0.00002 0.00588 106 8 C 1S -0.00005 0.00006 -0.00003 0.00003 0.04598 107 2S -0.00021 0.00024 -0.00010 0.00018 -0.08659 108 2PX 0.00012 -0.00020 0.00011 0.00003 0.03353 109 2PY -0.00003 -0.00007 0.00001 -0.00004 -0.01332 110 2PZ 0.00020 -0.00032 0.00022 0.00001 0.01276 111 3S 0.00081 -0.00051 -0.00055 -0.00192 -0.05183 112 3PX 0.00004 -0.00049 0.00006 0.00079 0.00548 113 3PY 0.00109 0.00027 -0.00032 0.00029 -0.00006 114 3PZ -0.00072 0.00194 -0.00094 0.00021 -0.00559 115 4XX -0.00009 0.00012 -0.00007 -0.00003 -0.00435 116 4YY -0.00007 0.00008 -0.00005 0.00004 0.00097 117 4ZZ -0.00015 0.00018 -0.00012 0.00005 0.00105 118 4XY -0.00007 -0.00003 0.00000 -0.00003 0.00130 119 4XZ -0.00007 0.00006 -0.00001 -0.00001 -0.00147 120 4YZ -0.00004 -0.00001 0.00000 -0.00001 0.00049 121 9 C 1S 0.00002 -0.00008 0.00001 -0.00003 0.02716 122 2S 0.00013 -0.00043 0.00003 -0.00017 -0.04900 123 2PX 0.00001 -0.00000 0.00001 -0.00001 0.01833 124 2PY -0.00002 0.00006 0.00000 -0.00001 0.00178 125 2PZ -0.00000 0.00007 -0.00002 0.00000 0.00192 126 3S -0.00124 0.00302 -0.00004 0.00103 -0.03934 127 3PX 0.00039 -0.00131 -0.00012 -0.00068 0.00349 128 3PY 0.00036 -0.00068 0.00006 0.00023 0.00431 129 3PZ 0.00001 -0.00166 0.00045 -0.00038 0.00374 130 4XX 0.00000 0.00002 0.00000 0.00001 -0.00100 131 4YY 0.00000 -0.00009 0.00001 -0.00002 -0.00026 132 4ZZ 0.00003 -0.00012 0.00001 -0.00004 0.00059 133 4XY -0.00003 0.00001 -0.00002 -0.00001 -0.00089 134 4XZ 0.00001 0.00009 -0.00000 0.00005 -0.00003 135 4YZ 0.00001 -0.00001 -0.00000 -0.00000 0.00126 136 10 C 1S -0.00002 0.00003 -0.00002 -0.00000 0.03354 137 2S -0.00014 0.00010 -0.00013 -0.00001 -0.06183 138 2PX -0.00013 -0.00023 -0.00014 -0.00010 0.01921 139 2PY -0.00009 -0.00024 -0.00006 -0.00009 0.00385 140 2PZ 0.00001 -0.00001 0.00009 0.00012 -0.01145 141 3S 0.00144 -0.00084 0.00120 -0.00005 -0.03873 142 3PX 0.00037 0.00124 0.00088 0.00108 0.00446 143 3PY 0.00045 0.00224 0.00009 0.00058 -0.00203 144 3PZ -0.00014 -0.00147 -0.00112 -0.00160 -0.00259 145 4XX 0.00006 0.00011 0.00002 -0.00003 -0.00220 146 4YY 0.00003 0.00009 0.00002 0.00004 0.00075 147 4ZZ -0.00001 -0.00001 -0.00004 -0.00004 0.00057 148 4XY 0.00005 0.00016 0.00006 0.00009 0.00071 149 4XZ -0.00000 0.00000 0.00004 -0.00000 0.00109 150 4YZ -0.00003 -0.00001 -0.00002 0.00001 0.00021 151 11 C 1S 0.00002 0.00003 0.00002 0.00002 0.00936 152 2S 0.00014 0.00021 0.00010 0.00013 -0.01736 153 2PX 0.00004 0.00006 0.00005 0.00004 0.00621 154 2PY 0.00002 0.00005 0.00005 0.00004 0.00579 155 2PZ 0.00001 -0.00001 -0.00001 -0.00000 -0.00317 156 3S -0.00107 -0.00203 -0.00104 -0.00127 -0.01009 157 3PX 0.00014 0.00065 0.00015 0.00029 -0.00071 158 3PY 0.00036 0.00064 0.00039 0.00043 0.00115 159 3PZ -0.00027 -0.00020 0.00007 0.00003 -0.00014 160 4XX 0.00000 -0.00002 -0.00000 -0.00001 -0.00043 161 4YY -0.00001 -0.00002 -0.00003 -0.00003 -0.00050 162 4ZZ 0.00002 0.00004 0.00003 0.00004 0.00022 163 4XY -0.00003 -0.00006 -0.00003 -0.00003 -0.00086 164 4XZ 0.00002 0.00002 0.00000 -0.00000 0.00038 165 4YZ 0.00001 0.00002 0.00000 0.00000 0.00040 166 12 H 1S 0.00001 0.00006 0.00002 0.00004 -0.00420 167 2S -0.00004 0.00000 0.00006 0.00007 -0.00082 168 13 H 1S 0.00004 0.00003 0.00001 0.00002 -0.00435 169 2S 0.00015 0.00010 0.00002 0.00002 -0.00066 170 14 C 1S -0.00000 0.00000 0.00001 0.00001 0.00339 171 2S -0.00001 0.00001 0.00004 0.00004 -0.00616 172 2PX -0.00002 -0.00000 -0.00002 -0.00001 0.00245 173 2PY -0.00000 0.00004 -0.00001 0.00000 0.00023 174 2PZ 0.00001 0.00000 0.00001 0.00001 -0.00179 175 3S 0.00020 -0.00017 -0.00005 -0.00009 -0.00305 176 3PX -0.00004 -0.00025 -0.00007 -0.00011 0.00029 177 3PY 0.00000 -0.00008 0.00016 0.00009 0.00089 178 3PZ 0.00012 -0.00007 -0.00003 0.00001 0.00017 179 4XX 0.00001 0.00002 0.00002 0.00002 -0.00022 180 4YY -0.00000 -0.00001 0.00001 0.00001 0.00008 181 4ZZ 0.00001 0.00001 0.00001 0.00002 0.00003 182 4XY -0.00000 -0.00000 -0.00001 -0.00001 0.00013 183 4XZ -0.00001 -0.00000 -0.00000 0.00000 0.00018 184 4YZ 0.00000 0.00001 0.00001 0.00001 0.00002 185 15 H 1S 0.00000 0.00004 0.00000 0.00002 -0.00108 186 2S -0.00005 0.00005 -0.00008 -0.00004 -0.00031 187 16 H 1S -0.00001 -0.00004 -0.00002 -0.00004 -0.00150 188 2S 0.00007 0.00004 0.00014 0.00019 0.00036 189 17 C 1S 0.00001 -0.00001 -0.00000 0.00000 0.00309 190 2S 0.00003 -0.00006 -0.00000 0.00002 -0.00541 191 2PX 0.00000 -0.00000 -0.00001 -0.00001 0.00274 192 2PY -0.00000 -0.00003 -0.00000 -0.00000 0.00047 193 2PZ 0.00000 0.00001 -0.00001 -0.00001 -0.00032 194 3S -0.00024 0.00040 0.00002 -0.00009 -0.00469 195 3PX 0.00010 -0.00020 0.00003 0.00008 0.00101 196 3PY 0.00003 0.00011 0.00013 0.00011 0.00011 197 3PZ -0.00001 -0.00013 -0.00005 -0.00009 -0.00039 198 4XX -0.00000 0.00000 -0.00000 0.00000 -0.00020 199 4YY 0.00000 0.00000 -0.00000 0.00001 -0.00004 200 4ZZ 0.00000 -0.00002 0.00000 0.00001 0.00011 201 4XY -0.00001 0.00001 -0.00001 -0.00001 -0.00020 202 4XZ 0.00000 0.00000 0.00000 0.00000 0.00007 203 4YZ 0.00001 0.00000 0.00000 0.00001 0.00015 204 18 C 1S -0.00000 0.00000 0.00002 0.00000 0.00772 205 2S -0.00001 0.00003 0.00006 0.00001 -0.01452 206 2PX -0.00002 0.00007 -0.00004 0.00000 0.00646 207 2PY -0.00002 -0.00000 -0.00002 -0.00002 -0.00287 208 2PZ 0.00000 -0.00006 0.00001 -0.00000 -0.00159 209 3S 0.00020 -0.00057 -0.00011 0.00012 -0.00465 210 3PX -0.00001 0.00036 0.00012 0.00017 -0.00042 211 3PY 0.00013 -0.00016 0.00020 0.00014 0.00065 212 3PZ -0.00001 0.00063 -0.00004 0.00017 -0.00092 213 4XX 0.00002 -0.00007 0.00003 -0.00001 -0.00060 214 4YY -0.00000 -0.00002 0.00003 -0.00000 0.00008 215 4ZZ 0.00000 0.00002 0.00002 0.00001 0.00017 216 4XY 0.00001 -0.00000 0.00001 0.00001 0.00055 217 4XZ -0.00001 -0.00002 0.00000 -0.00001 0.00041 218 4YZ -0.00000 0.00001 -0.00000 0.00001 -0.00020 219 19 H 1S 0.00000 0.00004 0.00000 0.00001 -0.00365 220 2S 0.00002 0.00031 0.00017 0.00016 -0.00152 221 20 H 1S -0.00000 -0.00005 0.00002 0.00000 -0.00312 222 2S 0.00003 -0.00020 0.00007 -0.00008 0.00044 223 21 H 1S 0.00001 -0.00002 -0.00000 -0.00000 -0.00125 224 2S -0.00001 0.00001 -0.00004 0.00001 0.00006 225 22 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00092 226 2S 0.00001 0.00003 0.00001 -0.00001 0.00002 227 23 H 1S 0.00007 0.00035 0.00014 0.00030 -0.01799 228 2S -0.00036 -0.00073 -0.00126 -0.00161 -0.00462 229 24 H 1S 0.00003 0.00006 -0.00004 -0.00002 -0.01199 230 2S -0.00008 0.00055 -0.00005 0.00003 -0.00252 231 25 H 1S -0.00012 0.00027 -0.00021 0.00002 -0.01982 232 2S 0.00045 0.00038 0.00003 0.00043 -0.00170 233 26 H 1S 0.00003 -0.00015 0.00011 0.00007 -0.01878 234 2S 0.00043 -0.00082 0.00048 0.00002 0.00154 235 27 H 1S -0.00032 -0.00030 0.00023 -0.00011 -0.04859 236 2S -0.00033 -0.00040 0.00020 -0.00032 -0.00199 237 28 Br 1S -0.00000 -0.00000 0.00000 0.00016 0.01890 238 2S 0.00000 -0.00002 -0.00002 -0.00107 -0.12223 239 3S 0.00003 0.00009 0.00001 0.00136 0.14107 240 4S -0.00007 -0.00004 0.00005 0.00158 0.25022 241 5S -0.00083 -0.00063 -0.00006 0.00018 -0.21771 242 6S 0.00181 0.00155 0.00014 -0.00219 -0.07886 243 7PX -0.00033 0.00094 -0.00002 -0.00003 -0.00248 244 7PY 0.00087 0.00023 -0.00000 -0.00003 -0.00677 245 7PZ -0.00034 -0.00034 0.00001 -0.00010 -0.01162 246 8PX 0.00088 -0.00247 0.00006 0.00008 0.00751 247 8PY -0.00227 -0.00059 0.00001 0.00007 0.02055 248 8PZ 0.00091 0.00089 -0.00003 0.00027 0.03525 249 9PX -0.00015 0.00038 -0.00017 -0.00013 -0.01239 250 9PY 0.00020 0.00004 -0.00002 0.00009 -0.03394 251 9PZ -0.00027 -0.00033 0.00010 0.00007 -0.05788 252 10PX -0.00066 0.00131 0.00044 0.00019 -0.00342 253 10PY 0.00199 0.00049 0.00011 -0.00056 -0.01080 254 10PZ -0.00054 -0.00029 -0.00003 -0.00083 -0.01694 255 11XX -0.11588 0.31241 -0.52473 0.68419 -0.07040 256 11YY 0.65018 0.16923 0.33187 -0.59086 -0.06521 257 11ZZ -0.53434 -0.48181 0.19286 -0.09516 -0.05554 258 11XY 0.02630 0.44160 0.73111 0.47047 0.00130 259 11XZ -0.36363 0.74384 -0.22482 -0.43647 0.00417 260 11YZ 0.61385 0.06192 -0.35295 0.16944 0.00920 261 12XX -0.00318 0.00649 -0.01107 0.01504 -0.01828 262 12YY 0.01443 0.00333 0.00703 -0.01206 -0.02710 263 12ZZ -0.01275 -0.01118 0.00416 -0.00178 -0.04286 264 12XY 0.00053 0.00982 0.01555 0.00998 -0.00236 265 12XZ -0.00829 0.01641 -0.00472 -0.00930 -0.00659 266 12YZ 0.01397 0.00138 -0.00745 0.00329 -0.01556 267 29 C 1S 0.00005 0.00002 0.00000 -0.00002 0.02524 268 2S 0.00029 0.00012 0.00004 -0.00010 -0.04716 269 2PX -0.00004 0.00002 0.00001 -0.00000 0.00534 270 2PY -0.00002 0.00002 0.00004 0.00002 0.01692 271 2PZ 0.00003 0.00002 0.00005 -0.00000 0.01587 272 3S -0.00156 -0.00078 -0.00073 0.00055 -0.02619 273 3PX 0.00056 -0.00023 -0.00007 -0.00019 0.00144 274 3PY 0.00063 0.00059 0.00029 -0.00019 0.00206 275 3PZ 0.00036 0.00026 0.00024 -0.00028 -0.00108 276 4XX 0.00006 0.00004 0.00001 -0.00001 0.00056 277 4YY 0.00002 -0.00005 -0.00003 -0.00003 -0.00119 278 4ZZ 0.00002 0.00000 -0.00003 0.00001 -0.00127 279 4XY -0.00002 0.00000 0.00000 0.00001 -0.00064 280 4XZ -0.00003 0.00000 -0.00001 0.00002 -0.00055 281 4YZ -0.00006 -0.00005 -0.00004 0.00002 -0.00202 282 30 H 1S 0.00009 0.00003 0.00002 -0.00005 -0.01199 283 2S 0.00026 -0.00030 -0.00008 0.00005 -0.00146 284 31 H 1S 0.00008 0.00007 0.00003 -0.00002 -0.01288 285 2S 0.00008 0.00007 0.00004 0.00003 -0.00079 286 32 H 1S 0.00002 0.00002 0.00001 -0.00001 -0.00994 287 2S -0.00023 0.00002 0.00007 0.00005 -0.00152 288 33 H 1S 0.00001 -0.00004 0.00007 -0.00012 -0.01243 289 2S -0.00041 -0.00002 -0.00054 0.00086 -0.00251 290 34 H 1S -0.00003 -0.00001 -0.00004 0.00003 -0.00973 291 2S 0.00006 0.00009 -0.00015 0.00005 0.00049 292 35 H 1S 0.00002 0.00001 -0.00000 -0.00001 -0.00725 293 2S -0.00003 0.00009 -0.00002 -0.00022 -0.00156 294 36 H 1S 0.00001 0.00001 -0.00000 0.00001 -0.00509 295 2S 0.00007 -0.00000 -0.00003 0.00002 0.00145 296 37 H 1S -0.00000 0.00010 -0.00013 -0.00018 -0.01062 297 2S -0.00050 0.00016 0.00108 0.00049 -0.00335 298 38 H 1S -0.00002 0.00002 0.00006 0.00005 -0.00769 299 2S 0.00002 -0.00001 0.00017 0.00021 0.00116 300 39 H 1S -0.00003 0.00006 0.00009 -0.00001 -0.02548 301 2S -0.00042 0.00083 0.00057 -0.00016 0.00038 302 40 H 1S 0.00017 -0.00025 -0.00017 0.00012 -0.02592 303 2S 0.00025 0.00010 -0.00008 -0.00025 -0.00355 31 32 33 34 35 O O O O O Eigenvalues -- -0.97951 -0.96756 -0.92147 -0.91361 -0.89663 1 1 C 1S -0.04200 0.07599 -0.09532 -0.00002 0.06152 2 2S 0.07914 -0.14387 0.18220 0.00089 -0.11941 3 2PX 0.00889 -0.01994 -0.01260 0.02128 -0.05458 4 2PY 0.02607 -0.00517 0.01464 -0.00731 0.03433 5 2PZ -0.01412 0.01584 -0.01882 0.01695 -0.02815 6 3S 0.06688 -0.11715 0.16100 -0.00046 -0.10870 7 3PX 0.00207 -0.00393 -0.00109 0.00472 -0.01308 8 3PY 0.00889 -0.00178 0.00148 -0.00020 0.00706 9 3PZ -0.00266 0.00005 0.00200 0.00782 -0.01180 10 4XX -0.00008 -0.00009 -0.00383 0.00261 -0.00410 11 4YY -0.00115 0.00049 0.00051 -0.00099 0.00199 12 4ZZ 0.00073 0.00037 0.00109 -0.00149 0.00403 13 4XY 0.00147 0.00042 -0.00027 0.00016 -0.00043 14 4XZ 0.00030 -0.00011 0.00203 -0.00012 0.00177 15 4YZ -0.00153 0.00073 -0.00198 0.00083 -0.00363 16 2 C 1S -0.04731 0.05515 -0.08941 0.02735 -0.04857 17 2S 0.08838 -0.10341 0.16912 -0.05196 0.09226 18 2PX 0.02438 -0.02217 0.01877 -0.00637 0.01526 19 2PY 0.00607 0.00806 -0.01196 -0.00644 0.05198 20 2PZ 0.00793 -0.01736 0.02597 0.00449 -0.03504 21 3S 0.06573 -0.07920 0.14152 -0.04057 0.07962 22 3PX 0.00276 -0.00355 0.00347 -0.00434 0.00719 23 3PY -0.00030 0.00194 -0.00459 -0.00186 0.01072 24 3PZ -0.00199 -0.00241 0.00445 0.00042 -0.00745 25 4XX 0.00092 -0.00018 -0.00082 -0.00003 0.00093 26 4YY -0.00007 0.00008 -0.00064 -0.00029 0.00142 27 4ZZ -0.00057 -0.00043 0.00067 0.00083 -0.00376 28 4XY 0.00092 0.00082 -0.00134 -0.00083 0.00578 29 4XZ 0.00047 -0.00147 0.00157 0.00072 -0.00394 30 4YZ -0.00102 0.00172 -0.00174 -0.00022 0.00164 31 3 C 1S -0.05438 0.03494 -0.03902 0.02976 -0.10880 32 2S 0.10058 -0.06530 0.07354 -0.05638 0.20731 33 2PX 0.01739 0.00514 -0.03430 0.00030 0.02103 34 2PY -0.02212 0.01996 -0.02615 0.00927 -0.01629 35 2PZ 0.00632 -0.00789 0.01207 0.00049 -0.00726 36 3S 0.07778 -0.04854 0.05996 -0.04539 0.16847 37 3PX 0.00484 0.00084 -0.00706 0.00034 0.00350 38 3PY -0.00516 0.00270 -0.00439 -0.00067 0.00094 39 3PZ 0.00374 -0.00249 0.00286 0.00018 0.00017 40 4XX 0.00179 0.00061 -0.00303 -0.00009 0.00121 41 4YY 0.00008 -0.00134 0.00281 -0.00019 -0.00152 42 4ZZ -0.00144 0.00064 -0.00028 0.00041 -0.00113 43 4XY -0.00067 -0.00119 0.00375 -0.00044 -0.00099 44 4XZ -0.00049 0.00037 -0.00069 0.00039 -0.00052 45 4YZ -0.00075 0.00115 -0.00189 0.00017 0.00044 46 4 C 1S -0.07178 0.01219 0.02992 0.02005 -0.09008 47 2S 0.13420 -0.02241 -0.05722 -0.03795 0.17046 48 2PX -0.00124 0.02306 -0.04073 0.01058 -0.04259 49 2PY -0.01678 -0.00140 0.01728 -0.00385 0.01609 50 2PZ 0.03071 -0.00250 -0.02095 0.00583 -0.00164 51 3S 0.09792 -0.01924 -0.04340 -0.02866 0.14949 52 3PX 0.00044 0.00569 -0.00750 0.00248 -0.01005 53 3PY -0.00385 0.00100 0.00400 0.00106 0.00207 54 3PZ 0.00155 0.00019 -0.00278 0.00021 0.00053 55 4XX 0.00057 -0.00101 0.00341 -0.00143 0.00337 56 4YY -0.00039 0.00048 -0.00121 0.00050 -0.00195 57 4ZZ 0.00071 0.00076 -0.00230 0.00139 -0.00309 58 4XY -0.00108 -0.00043 0.00084 -0.00009 -0.00018 59 4XZ 0.00099 0.00160 -0.00331 0.00091 -0.00218 60 4YZ -0.00229 -0.00026 0.00236 -0.00109 0.00230 61 5 C 1S -0.09676 -0.01813 0.08602 -0.01661 0.00343 62 2S 0.18236 0.03392 -0.16575 0.03171 -0.00740 63 2PX -0.01582 0.05390 -0.00554 -0.01491 -0.00259 64 2PY 0.01431 -0.00612 -0.00822 -0.01700 0.04758 65 2PZ 0.00220 -0.00340 -0.01342 0.03642 -0.04815 66 3S 0.15071 0.03040 -0.13791 0.03296 -0.00578 67 3PX -0.00748 0.00921 -0.00173 0.00007 -0.00102 68 3PY 0.00301 -0.00775 -0.00374 -0.00451 0.00553 69 3PZ 0.00281 -0.00216 -0.00375 0.01477 -0.01607 70 4XX -0.00053 0.00102 0.00456 -0.00255 -0.00104 71 4YY -0.00413 -0.00098 0.00194 0.00072 -0.00047 72 4ZZ -0.00062 -0.00085 -0.00023 -0.00001 0.00192 73 4XY -0.00144 -0.00392 0.00026 0.00230 -0.00587 74 4XZ 0.00034 -0.00101 -0.00030 -0.00090 0.00534 75 4YZ -0.00021 0.00168 -0.00168 -0.00055 -0.00177 76 6 C 1S -0.01946 0.04309 0.00211 -0.03603 0.07870 77 2S 0.03804 -0.08479 -0.00318 0.07543 -0.16032 78 2PX -0.00821 0.06794 -0.09713 0.03386 0.04188 79 2PY 0.11556 -0.00554 -0.02301 0.00304 0.00110 80 2PZ -0.01430 -0.00192 0.03237 0.04093 -0.03102 81 3S 0.03249 -0.07572 -0.01378 0.04775 -0.14263 82 3PX 0.00035 0.01154 -0.02263 0.00508 0.00423 83 3PY 0.01327 -0.00017 -0.00081 0.00577 0.00885 84 3PZ 0.00390 0.00333 0.00639 0.01098 -0.00648 85 4XX 0.00485 -0.00132 0.00621 0.00042 -0.00144 86 4YY -0.00423 0.00214 -0.00450 -0.00014 0.00400 87 4ZZ -0.00229 0.00370 -0.00088 -0.00421 0.00746 88 4XY 0.00561 0.00146 -0.00675 -0.00153 -0.00020 89 4XZ -0.00276 0.00100 0.00099 0.00048 0.00245 90 4YZ -0.00278 -0.00090 -0.00014 -0.00521 0.00012 91 7 C 1S 0.07718 -0.01489 -0.01357 -0.05831 -0.00868 92 2S -0.15063 0.02872 0.02655 0.11637 0.01552 93 2PX 0.00671 0.06116 0.02015 0.05618 0.07389 94 2PY 0.01482 -0.01594 -0.00980 0.02722 -0.06556 95 2PZ 0.03025 0.01524 0.03232 0.05783 0.00582 96 3S -0.13826 0.02887 0.02418 0.10343 0.03073 97 3PX 0.00785 0.01622 0.00087 0.01290 0.01862 98 3PY 0.00014 -0.00144 0.00289 0.01107 -0.01038 99 3PZ 0.01178 0.00279 0.00596 0.01452 -0.00116 100 4XX 0.00025 0.00427 0.00499 0.00508 0.00437 101 4YY 0.00544 -0.00286 -0.00176 0.00053 -0.00630 102 4ZZ -0.00159 -0.00201 -0.00369 -0.00933 0.00151 103 4XY -0.00076 0.00192 -0.00151 -0.00158 0.00325 104 4XZ -0.00206 -0.00070 -0.00049 -0.00170 0.00044 105 4YZ 0.00146 0.00019 -0.00035 -0.00432 0.00243 106 8 C 1S 0.03540 -0.07264 -0.05179 -0.08287 -0.07038 107 2S -0.06744 0.13816 0.09905 0.16047 0.13640 108 2PX 0.03588 0.01078 0.01128 -0.03363 -0.00575 109 2PY 0.00711 0.02389 0.00574 0.00767 -0.00511 110 2PZ 0.00434 -0.01399 -0.00036 0.00848 -0.00204 111 3S -0.04902 0.10485 0.08646 0.13174 0.11355 112 3PX 0.00766 0.00456 0.00007 -0.00600 -0.00041 113 3PY 0.00459 0.00362 -0.00161 -0.00526 -0.00479 114 3PZ -0.00149 0.00016 0.00140 0.00677 0.00044 115 4XX -0.00322 -0.00058 -0.00025 0.00071 -0.00142 116 4YY 0.00219 0.00129 -0.00004 -0.00142 -0.00049 117 4ZZ 0.00057 -0.00064 -0.00041 -0.00113 0.00020 118 4XY 0.00128 0.00245 0.00148 -0.00188 0.00084 119 4XZ -0.00182 -0.00174 -0.00170 -0.00037 -0.00013 120 4YZ -0.00096 -0.00157 -0.00014 0.00037 0.00072 121 9 C 1S -0.01302 -0.10011 -0.05269 -0.01098 -0.02575 122 2S 0.02515 0.18759 0.09977 0.02066 0.04873 123 2PX 0.00370 -0.00862 0.02026 -0.04018 -0.02150 124 2PY 0.02242 -0.00141 -0.02884 -0.03036 -0.03081 125 2PZ -0.01512 -0.01595 0.00481 0.03311 0.02142 126 3S 0.01344 0.13892 0.08153 0.02103 0.04194 127 3PX -0.00004 -0.00428 0.00446 -0.01540 -0.00624 128 3PY 0.00675 0.00200 -0.00602 -0.00404 -0.00581 129 3PZ -0.00257 -0.00167 0.00263 0.00984 0.00728 130 4XX -0.00080 -0.00036 0.00066 0.00043 -0.00043 131 4YY -0.00009 -0.00031 -0.00088 0.00110 0.00078 132 4ZZ 0.00089 -0.00100 -0.00147 -0.00161 -0.00123 133 4XY -0.00294 0.00020 0.00176 0.00439 0.00350 134 4XZ 0.00161 -0.00042 -0.00296 -0.00105 -0.00101 135 4YZ -0.00069 -0.00197 0.00100 -0.00058 -0.00039 136 10 C 1S -0.05167 -0.08402 0.01953 0.02919 0.01310 137 2S 0.09650 0.15649 -0.03786 -0.05513 -0.02459 138 2PX -0.01860 0.02368 0.05294 -0.03242 -0.01354 139 2PY 0.01937 -0.01285 -0.02926 -0.01895 -0.01651 140 2PZ 0.00655 0.01854 0.00182 0.02639 0.00878 141 3S 0.07263 0.11954 -0.02522 -0.04643 -0.02500 142 3PX -0.00278 0.00300 0.01415 -0.00477 -0.00389 143 3PY 0.00075 -0.00641 -0.00146 -0.00320 -0.00549 144 3PZ -0.00239 0.00373 0.00124 -0.00079 0.00368 145 4XX 0.00256 -0.00134 -0.00282 -0.00036 -0.00127 146 4YY -0.00153 -0.00034 0.00183 -0.00012 0.00079 147 4ZZ -0.00139 -0.00024 0.00167 0.00158 0.00103 148 4XY -0.00180 -0.00019 0.00113 -0.00283 -0.00241 149 4XZ -0.00166 0.00126 0.00310 -0.00005 0.00187 150 4YZ 0.00109 -0.00258 -0.00345 -0.00035 -0.00079 151 11 C 1S -0.02966 -0.05574 -0.00593 0.06318 0.04038 152 2S 0.05544 0.10298 0.01110 -0.11887 -0.07636 153 2PX -0.01228 -0.00603 0.02357 -0.01402 -0.01552 154 2PY -0.01202 -0.02910 -0.00736 0.02048 0.01136 155 2PZ 0.00602 0.00967 -0.00394 0.00365 0.00299 156 3S 0.03742 0.07940 0.00693 -0.09673 -0.06168 157 3PX -0.00398 -0.00313 0.00719 -0.00103 -0.00452 158 3PY -0.00159 -0.00576 -0.00086 0.00273 0.00013 159 3PZ 0.00229 0.00168 -0.00255 -0.00003 0.00073 160 4XX 0.00082 0.00054 -0.00031 -0.00072 -0.00028 161 4YY 0.00039 0.00120 0.00020 -0.00004 0.00029 162 4ZZ -0.00046 -0.00123 -0.00031 0.00113 0.00046 163 4XY 0.00128 0.00143 -0.00201 0.00130 0.00134 164 4XZ -0.00074 -0.00118 0.00009 0.00037 0.00048 165 4YZ -0.00073 -0.00122 0.00042 -0.00028 -0.00041 166 12 H 1S 0.01526 0.02404 -0.00108 -0.03251 -0.01953 167 2S 0.00345 0.00128 -0.00170 -0.00449 0.00017 168 13 H 1S 0.01531 0.02784 0.00232 -0.03338 -0.02261 169 2S 0.00296 0.00451 -0.00065 -0.00404 -0.00352 170 14 C 1S -0.01444 -0.04135 -0.03010 0.06634 0.04762 171 2S 0.02653 0.07690 0.05677 -0.12401 -0.08981 172 2PX -0.00820 -0.01530 0.00226 0.01462 0.00841 173 2PY 0.00015 -0.00647 -0.01202 0.00560 0.00250 174 2PZ 0.00591 0.01854 0.01358 -0.02149 -0.01365 175 3S 0.02056 0.05423 0.04146 -0.09954 -0.07114 176 3PX -0.00237 -0.00272 0.00121 0.00415 0.00287 177 3PY 0.00053 -0.00070 -0.00288 0.00217 0.00131 178 3PZ 0.00175 0.00320 0.00199 -0.00383 -0.00128 179 4XX 0.00072 0.00090 -0.00080 -0.00048 -0.00021 180 4YY -0.00023 -0.00024 0.00031 0.00046 0.00034 181 4ZZ -0.00010 0.00012 0.00053 0.00021 0.00018 182 4XY -0.00057 -0.00096 -0.00017 0.00108 0.00062 183 4XZ -0.00064 -0.00098 0.00056 0.00069 0.00039 184 4YZ 0.00004 -0.00077 -0.00150 0.00078 0.00035 185 15 H 1S 0.00566 0.01645 0.01376 -0.03190 -0.02444 186 2S 0.00027 0.00116 0.00157 -0.00433 -0.00385 187 16 H 1S 0.00671 0.01993 0.01543 -0.03433 -0.02509 188 2S 0.00151 0.00322 0.00238 -0.00429 -0.00354 189 17 C 1S -0.00990 -0.04250 -0.04545 0.05558 0.03581 190 2S 0.01877 0.07873 0.08464 -0.10484 -0.06762 191 2PX -0.00640 -0.02607 -0.02053 0.02181 0.01097 192 2PY 0.00169 -0.00272 -0.00698 -0.00903 -0.01071 193 2PZ -0.00127 0.00045 0.00183 0.01057 0.01056 194 3S 0.01100 0.05706 0.06780 -0.07842 -0.05327 195 3PX 0.00015 -0.00484 -0.00519 0.00283 0.00148 196 3PY 0.00024 -0.00067 -0.00134 -0.00257 -0.00340 197 3PZ -0.00091 0.00030 0.00206 0.00140 0.00200 198 4XX 0.00030 0.00124 0.00067 -0.00027 0.00018 199 4YY 0.00004 0.00022 0.00011 0.00001 0.00011 200 4ZZ -0.00004 -0.00068 -0.00073 0.00020 -0.00005 201 4XY -0.00019 0.00085 0.00120 0.00105 0.00137 202 4XZ 0.00015 -0.00026 -0.00053 -0.00099 -0.00106 203 4YZ -0.00032 -0.00133 -0.00094 0.00131 0.00080 204 18 C 1S -0.00914 -0.06276 -0.05924 0.03080 0.00641 205 2S 0.01659 0.11638 0.11130 -0.05848 -0.01206 206 2PX -0.00189 -0.02609 -0.01027 -0.01677 -0.02052 207 2PY 0.00698 0.02391 0.01663 -0.02159 -0.01351 208 2PZ -0.00170 0.00480 0.00284 0.01504 0.01398 209 3S 0.01580 0.08748 0.08634 -0.04273 -0.01002 210 3PX -0.00057 -0.00607 -0.00411 -0.00547 -0.00525 211 3PY 0.00200 0.00321 0.00020 -0.00478 -0.00335 212 3PZ 0.00011 0.00203 0.00029 0.00433 0.00337 213 4XX 0.00016 0.00216 0.00062 0.00114 0.00124 214 4YY 0.00027 -0.00004 -0.00012 -0.00153 -0.00130 215 4ZZ -0.00030 -0.00125 -0.00073 0.00060 0.00027 216 4XY -0.00026 -0.00170 -0.00003 -0.00180 -0.00174 217 4XZ -0.00021 -0.00184 -0.00107 -0.00026 -0.00043 218 4YZ -0.00009 0.00016 -0.00032 0.00144 0.00117 219 19 H 1S 0.00415 0.03108 0.03109 -0.01629 -0.00282 220 2S -0.00017 0.00445 0.00400 -0.00291 0.00022 221 20 H 1S 0.00288 0.02814 0.03072 -0.01241 -0.00024 222 2S -0.00022 0.00179 0.00430 -0.00139 0.00035 223 21 H 1S 0.00486 0.02027 0.02287 -0.02866 -0.01898 224 2S 0.00080 0.00272 0.00303 -0.00405 -0.00266 225 22 H 1S 0.00367 0.01683 0.02126 -0.02639 -0.01791 226 2S -0.00011 0.00116 0.00292 -0.00308 -0.00249 227 23 H 1S 0.02342 0.04377 -0.01086 -0.02221 -0.00480 228 2S -0.00362 0.00190 -0.00189 -0.01266 0.00162 229 24 H 1S 0.00893 0.05200 0.02791 0.00542 0.01267 230 2S 0.00222 0.00570 0.00224 -0.00011 -0.00044 231 25 H 1S -0.02020 0.03822 0.03130 0.04408 0.04623 232 2S -0.00235 0.00439 0.00409 0.00141 0.00865 233 26 H 1S -0.01803 0.03740 0.03194 0.05320 0.04402 234 2S -0.00107 0.00353 0.00467 0.00764 0.00837 235 27 H 1S -0.04532 0.00230 0.01348 0.03255 0.00341 236 2S -0.00354 -0.00022 0.00449 0.00473 0.00075 237 28 Br 1S 0.02356 0.00497 0.01290 0.03345 -0.01175 238 2S -0.15281 -0.03222 -0.08385 -0.21736 0.07638 239 3S 0.17695 0.03731 0.09743 0.25231 -0.08866 240 4S 0.31469 0.06647 0.17327 0.44995 -0.15833 241 5S -0.27283 -0.05844 -0.15080 -0.38501 0.13282 242 6S -0.12830 -0.02633 -0.08063 -0.22965 0.09014 243 7PX -0.00247 0.00180 -0.00118 0.00060 0.00206 244 7PY -0.00226 -0.00182 -0.00109 -0.00122 -0.00246 245 7PZ -0.00946 -0.00135 -0.00091 -0.00076 -0.00045 246 8PX 0.00751 -0.00547 0.00359 -0.00181 -0.00627 247 8PY 0.00692 0.00554 0.00333 0.00376 0.00748 248 8PZ 0.02881 0.00410 0.00282 0.00241 0.00132 249 9PX -0.01280 0.00858 -0.00610 0.00227 0.01070 250 9PY -0.01239 -0.00931 -0.00609 -0.00726 -0.01236 251 9PZ -0.04880 -0.00705 -0.00587 -0.00655 -0.00140 252 10PX -0.00420 0.00611 -0.00416 0.00102 0.00530 253 10PY -0.00452 -0.00321 -0.00329 -0.00706 -0.00203 254 10PZ -0.01987 -0.00293 -0.00304 -0.00687 0.00143 255 11XX -0.08441 -0.01862 -0.04546 -0.11599 0.03925 256 11YY -0.08368 -0.01590 -0.04360 -0.11362 0.04167 257 11ZZ -0.07174 -0.01606 -0.04308 -0.11248 0.03923 258 11XY 0.00074 -0.00118 0.00137 -0.00023 -0.00043 259 11XZ 0.00412 -0.00132 0.00112 0.00011 -0.00247 260 11YZ 0.00478 0.00214 0.00131 0.00179 0.00232 261 12XX -0.02401 -0.00376 -0.01381 -0.03497 0.01294 262 12YY -0.02746 -0.00835 -0.01812 -0.04173 0.01093 263 12ZZ -0.04887 -0.00895 -0.02065 -0.04747 0.01567 264 12XY -0.00136 0.00225 -0.00276 0.00011 0.00068 265 12XZ -0.00753 0.00178 -0.00271 -0.00220 0.00485 266 12YZ -0.01094 -0.00380 -0.00376 -0.00696 -0.00234 267 29 C 1S -0.05547 -0.01029 0.06476 -0.02153 0.01001 268 2S 0.10409 0.01902 -0.12179 0.04095 -0.01912 269 2PX -0.00742 0.01024 0.00051 -0.00425 0.00014 270 2PY -0.01951 -0.00521 0.01727 -0.01160 0.01165 271 2PZ -0.03123 -0.00571 0.02784 -0.00154 -0.00443 272 3S 0.07758 0.01832 -0.10862 0.03256 -0.01479 273 3PX -0.00107 0.00280 0.00169 -0.00193 0.00187 274 3PY -0.00389 -0.00023 0.00237 -0.00032 0.00456 275 3PZ -0.00327 -0.00298 0.00262 0.00209 -0.00663 276 4XX -0.00051 -0.00049 0.00124 -0.00033 0.00012 277 4YY 0.00050 0.00041 -0.00053 0.00089 -0.00080 278 4ZZ 0.00238 0.00065 -0.00188 -0.00037 0.00095 279 4XY 0.00078 -0.00053 -0.00049 0.00030 -0.00050 280 4XZ 0.00073 -0.00071 -0.00019 0.00034 0.00032 281 4YZ 0.00277 0.00056 -0.00221 0.00029 -0.00024 282 30 H 1S 0.03013 0.00069 -0.03318 0.01226 -0.00374 283 2S 0.00591 -0.00324 0.00064 0.00015 0.00206 284 31 H 1S 0.02639 0.00760 -0.03431 0.01606 -0.00953 285 2S 0.00179 0.00377 -0.00278 0.00434 0.00107 286 32 H 1S 0.02840 0.00829 -0.03719 0.00847 -0.00362 287 2S 0.00452 0.00152 -0.00530 -0.00079 -0.00276 288 33 H 1S 0.03477 -0.00526 -0.01587 -0.01379 0.05197 289 2S 0.00058 0.00076 -0.00275 -0.00618 0.00999 290 34 H 1S 0.03475 -0.00253 -0.02009 -0.01232 0.05182 291 2S 0.00390 0.00093 -0.00426 -0.00439 0.00792 292 35 H 1S 0.02693 -0.01724 0.02016 -0.01532 0.06021 293 2S 0.00333 -0.00131 0.00097 -0.00068 0.00846 294 36 H 1S 0.02319 -0.01530 0.02006 -0.01646 0.06288 295 2S 0.00269 -0.00147 0.00280 -0.00171 0.01055 296 37 H 1S 0.02221 -0.02791 0.04775 -0.01703 0.02794 297 2S -0.00252 -0.00294 0.00419 -0.00762 0.00724 298 38 H 1S 0.02045 -0.02536 0.04848 -0.01482 0.02692 299 2S 0.00148 -0.00188 0.00690 -0.00362 0.00603 300 39 H 1S 0.02599 -0.04096 0.05575 0.00378 -0.04039 301 2S 0.00299 -0.00314 0.00528 -0.00048 -0.00504 302 40 H 1S 0.01372 -0.03892 0.05556 -0.00090 -0.04141 303 2S -0.00056 -0.00441 0.00717 -0.00149 -0.00711 36 37 38 39 40 O O O O O Eigenvalues -- -0.85710 -0.85238 -0.83242 -0.78915 -0.77259 1 1 C 1S 0.04182 0.03743 -0.01648 -0.07651 0.03509 2 2S -0.08066 -0.07244 0.03126 0.15230 -0.07046 3 2PX 0.00685 0.03062 -0.05150 0.02220 -0.02726 4 2PY -0.01006 -0.00746 0.02761 -0.01678 0.06380 5 2PZ 0.00113 0.01050 -0.00495 0.04682 -0.06894 6 3S -0.08184 -0.07521 0.03418 0.16128 -0.07387 7 3PX 0.00044 0.00558 -0.00936 0.00762 -0.01249 8 3PY -0.00421 0.00100 0.00627 -0.00564 0.02720 9 3PZ 0.00450 0.00073 -0.00739 0.01703 -0.02509 10 4XX 0.00182 0.00326 -0.00469 -0.00252 0.00148 11 4YY 0.00058 -0.00066 0.00165 -0.00108 -0.00269 12 4ZZ -0.00037 -0.00135 0.00256 -0.00204 0.00366 13 4XY -0.00191 -0.00030 0.00079 0.00563 -0.00075 14 4XZ 0.00006 -0.00116 0.00303 -0.00310 0.00136 15 4YZ -0.00097 0.00080 -0.00133 0.00493 -0.00366 16 2 C 1S 0.01175 0.03907 -0.04948 0.06620 -0.06521 17 2S -0.02311 -0.07531 0.09682 -0.13093 0.12989 18 2PX 0.00535 0.00737 -0.01362 0.02079 -0.02237 19 2PY 0.03060 0.02066 -0.00446 -0.06363 -0.00693 20 2PZ -0.02535 -0.01746 0.01185 0.05583 -0.01235 21 3S -0.01536 -0.06926 0.08384 -0.12863 0.12567 22 3PX 0.00135 0.00095 -0.00681 0.00977 -0.00427 23 3PY 0.00659 0.00572 -0.00143 -0.01575 -0.00538 24 3PZ -0.00371 -0.00446 0.00268 0.01380 -0.00898 25 4XX 0.00072 0.00105 -0.00111 -0.00010 0.00030 26 4YY 0.00141 0.00119 -0.00099 -0.00139 -0.00291 27 4ZZ -0.00168 -0.00090 0.00033 0.00443 -0.00190 28 4XY 0.00311 0.00219 -0.00085 -0.00385 -0.00172 29 4XZ -0.00196 -0.00087 -0.00005 0.00464 -0.00114 30 4YZ 0.00047 0.00006 0.00093 -0.00444 0.00446 31 3 C 1S -0.04253 -0.01704 0.00098 0.06444 0.02569 32 2S 0.08145 0.03293 -0.00211 -0.12681 -0.04968 33 2PX 0.02247 0.03407 -0.04465 0.08699 -0.06385 34 2PY 0.00591 0.01264 -0.00851 0.00439 -0.04547 35 2PZ -0.01288 -0.00748 0.01918 -0.00862 0.02226 36 3S 0.07503 0.02712 -0.00126 -0.12132 -0.05648 37 3PX 0.00559 0.00816 -0.00880 0.02340 -0.02118 38 3PY 0.00166 0.00176 -0.00546 0.00027 -0.00907 39 3PZ -0.00410 0.00061 0.00617 -0.00142 0.00851 40 4XX 0.00108 0.00156 -0.00267 0.00660 -0.00200 41 4YY -0.00184 -0.00228 0.00209 -0.00238 0.00434 42 4ZZ -0.00029 -0.00007 0.00063 -0.00151 -0.00118 43 4XY -0.00202 -0.00293 0.00409 -0.00487 0.00450 44 4XZ -0.00016 0.00058 0.00053 -0.00176 0.00007 45 4YZ 0.00093 0.00112 -0.00107 0.00062 -0.00211 46 4 C 1S -0.04821 -0.03834 0.05691 -0.07654 0.05504 47 2S 0.09282 0.07363 -0.10984 0.15007 -0.10962 48 2PX -0.01599 -0.01232 -0.00543 0.05622 0.01349 49 2PY 0.01090 0.00720 0.02099 -0.01640 -0.06296 50 2PZ -0.01225 0.01235 0.01319 -0.00151 0.03587 51 3S 0.08598 0.06831 -0.10596 0.14700 -0.10536 52 3PX 0.00186 -0.00511 -0.00148 0.01648 -0.00768 53 3PY 0.00181 0.00251 0.00729 -0.00771 -0.02082 54 3PZ -0.00320 0.00161 0.00657 -0.00370 0.00931 55 4XX 0.00133 -0.00150 0.00243 -0.00733 -0.00097 56 4YY -0.00039 -0.00041 -0.00193 0.00159 0.00105 57 4ZZ -0.00209 0.00054 0.00150 0.00100 0.00273 58 4XY 0.00011 0.00068 0.00018 0.00327 -0.00270 59 4XZ -0.00128 -0.00023 0.00054 0.00102 0.00195 60 4YZ 0.00167 -0.00011 0.00022 -0.00015 -0.00508 61 5 C 1S 0.01415 -0.01328 0.01923 -0.01587 -0.06775 62 2S -0.02839 0.02502 -0.03914 0.03228 0.14057 63 2PX -0.01016 -0.07663 0.03722 -0.05782 -0.03694 64 2PY 0.00186 0.03778 0.07880 0.06058 -0.10981 65 2PZ -0.04742 0.03798 0.09455 -0.06433 0.01873 66 3S -0.02205 0.02975 -0.03303 0.03127 0.12786 67 3PX 0.00064 -0.01379 0.01077 -0.02128 -0.00583 68 3PY -0.00278 0.01047 0.01430 0.01745 -0.02158 69 3PZ -0.00733 0.00998 0.02202 -0.02295 0.00696 70 4XX 0.00049 -0.00659 -0.00333 -0.00042 -0.00179 71 4YY 0.00144 0.00136 -0.00064 -0.00303 -0.00171 72 4ZZ -0.00047 0.00377 0.00684 0.00149 -0.00696 73 4XY -0.00070 0.00343 -0.00001 -0.00093 0.00393 74 4XZ 0.00099 0.00326 0.00043 0.00322 -0.00312 75 4YZ -0.00467 -0.00070 0.00962 -0.00374 -0.00135 76 6 C 1S -0.01080 -0.02194 0.05904 0.02015 -0.01890 77 2S 0.02545 0.04541 -0.12306 -0.04467 0.03635 78 2PX 0.04123 0.02961 -0.02150 -0.11972 0.12541 79 2PY -0.07515 0.00275 0.01075 0.11337 0.12756 80 2PZ 0.02553 0.00808 0.02807 -0.02089 -0.08547 81 3S 0.00181 0.04421 -0.12182 -0.03465 0.07153 82 3PX 0.00222 0.00275 -0.00467 -0.02953 0.04145 83 3PY -0.00569 0.00546 0.00859 0.02273 0.02436 84 3PZ 0.00105 0.00277 0.01581 -0.00341 -0.02681 85 4XX -0.00493 -0.00534 0.00292 0.00760 0.00056 86 4YY 0.00446 0.00345 0.00206 -0.00591 -0.00261 87 4ZZ -0.00058 -0.00159 0.00354 0.00226 -0.00129 88 4XY -0.00373 0.00118 -0.00053 0.00172 0.00453 89 4XZ 0.00172 0.00095 0.00305 -0.00353 -0.00104 90 4YZ -0.00510 -0.00127 0.00302 0.00144 -0.00066 91 7 C 1S -0.08427 -0.01939 -0.01317 0.05167 0.04014 92 2S 0.17005 0.03948 0.02655 -0.10699 -0.08322 93 2PX -0.00797 -0.01911 0.05297 0.08961 0.12790 94 2PY 0.00757 0.01185 -0.07151 -0.07979 0.01924 95 2PZ 0.03118 0.00262 0.03297 0.03279 -0.02575 96 3S 0.17977 0.04259 0.03027 -0.12531 -0.10139 97 3PX -0.00699 -0.00575 0.00883 0.02243 0.06205 98 3PY 0.00826 0.00120 -0.01737 -0.02380 0.00134 99 3PZ 0.00584 0.00217 0.00923 0.01169 -0.00597 100 4XX -0.00073 -0.00162 0.00438 0.00856 0.00082 101 4YY -0.00145 0.00127 -0.00464 -0.00333 0.00119 102 4ZZ -0.00507 -0.00081 -0.00015 0.00080 0.00056 103 4XY 0.00017 -0.00065 0.00212 -0.00196 -0.00091 104 4XZ -0.00139 0.00008 -0.00027 0.00147 0.00236 105 4YZ -0.00512 -0.00144 0.00269 0.00523 0.00149 106 8 C 1S -0.00776 0.00800 -0.04811 -0.08175 -0.04615 107 2S 0.01718 -0.01511 0.09356 0.16032 0.09322 108 2PX -0.08757 -0.00930 -0.03308 0.02852 -0.00949 109 2PY -0.02561 -0.01480 -0.02835 -0.04657 -0.01030 110 2PZ 0.01710 0.00679 0.01926 0.02955 0.00607 111 3S 0.00694 -0.01755 0.09356 0.17718 0.08434 112 3PX -0.01901 0.00007 -0.01095 0.00155 0.00420 113 3PY -0.01354 -0.00277 -0.00782 -0.01495 -0.00366 114 3PZ 0.00998 0.00275 0.00627 0.00611 0.00250 115 4XX 0.00429 0.00220 -0.00104 -0.00693 -0.00557 116 4YY -0.00379 -0.00148 -0.00168 0.00012 0.00043 117 4ZZ -0.00084 -0.00035 0.00039 0.00258 0.00141 118 4XY -0.00470 -0.00121 -0.00114 0.00024 -0.00259 119 4XZ 0.00266 0.00024 0.00090 -0.00092 0.00135 120 4YZ 0.00188 0.00123 0.00227 0.00295 0.00066 121 9 C 1S 0.08013 0.02518 0.02910 0.01064 0.03111 122 2S -0.15649 -0.04881 -0.05612 -0.02026 -0.06088 123 2PX -0.02539 0.06574 -0.02518 -0.01846 -0.06239 124 2PY 0.01250 -0.04656 -0.00733 -0.05731 -0.01971 125 2PZ -0.00019 0.01776 0.02740 0.04463 0.01880 126 3S -0.12277 -0.04210 -0.05395 -0.02309 -0.06488 127 3PX -0.00670 0.01419 -0.00974 0.00036 -0.01744 128 3PY -0.00118 -0.01120 -0.00213 -0.01639 -0.00451 129 3PZ -0.00496 0.00212 0.00517 0.01209 0.00572 130 4XX 0.00117 0.00553 -0.00048 -0.00038 0.00190 131 4YY 0.00184 -0.00146 0.00270 0.00277 0.00105 132 4ZZ 0.00154 -0.00240 0.00004 -0.00057 -0.00047 133 4XY 0.00265 -0.00082 0.00384 0.00563 0.00362 134 4XZ 0.00011 -0.00552 -0.00133 -0.00283 0.00004 135 4YZ -0.00308 0.00492 -0.00136 -0.00132 -0.00260 136 10 C 1S 0.00623 0.10302 0.02779 0.03787 0.00689 137 2S -0.01104 -0.19728 -0.05305 -0.07438 -0.01485 138 2PX 0.01294 -0.01847 0.02768 -0.00671 -0.08539 139 2PY 0.04950 -0.00895 0.03620 0.02477 -0.01935 140 2PZ -0.04779 0.01193 0.00043 -0.02307 0.01110 141 3S -0.01511 -0.18511 -0.05499 -0.07022 -0.00891 142 3PX 0.00455 0.00496 0.01430 0.00191 -0.03118 143 3PY 0.01492 0.00318 0.01281 0.01229 -0.01256 144 3PZ -0.01600 0.00230 0.00042 -0.00370 0.00333 145 4XX 0.00193 0.00423 -0.00066 0.00214 0.00419 146 4YY 0.00074 0.00102 0.00220 0.00226 -0.00338 147 4ZZ -0.00219 0.00106 0.00039 -0.00021 -0.00045 148 4XY 0.00606 -0.00394 0.00266 -0.00023 -0.00154 149 4XZ -0.00332 -0.00061 -0.00269 -0.00036 -0.00339 150 4YZ 0.00085 0.00019 -0.00001 -0.00107 0.00229 151 11 C 1S -0.07964 0.06927 -0.04178 -0.01506 0.04140 152 2S 0.15201 -0.13172 0.08044 0.03016 -0.08203 153 2PX 0.03075 0.05287 0.02707 0.02283 0.03635 154 2PY -0.00139 0.01724 0.01035 0.01759 -0.00804 155 2PZ -0.02191 -0.01508 -0.00700 -0.02156 -0.01925 156 3S 0.13098 -0.12111 0.06866 0.02311 -0.07002 157 3PX 0.00558 0.01378 0.00108 0.00421 0.01627 158 3PY 0.00268 0.00240 0.00678 0.00722 -0.00825 159 3PZ -0.00198 -0.00421 0.00047 -0.00553 -0.00868 160 4XX 0.00082 0.00259 -0.00037 0.00105 0.00444 161 4YY -0.00188 -0.00113 -0.00184 -0.00163 -0.00050 162 4ZZ -0.00066 0.00050 0.00067 0.00019 -0.00091 163 4XY -0.00343 -0.00587 -0.00291 -0.00307 -0.00213 164 4XZ 0.00016 -0.00046 -0.00024 0.00064 -0.00246 165 4YZ 0.00166 0.00229 0.00151 0.00146 0.00135 166 12 H 1S 0.05225 -0.04358 0.02631 0.01976 -0.03391 167 2S 0.01259 -0.00719 0.00288 0.00959 -0.01221 168 13 H 1S 0.04537 -0.03893 0.03244 0.00956 -0.03556 169 2S 0.00617 -0.00516 0.01148 0.00103 -0.01191 170 14 C 1S -0.08400 -0.03430 -0.04543 -0.03209 -0.04957 171 2S 0.15991 0.06539 0.08703 0.06213 0.09777 172 2PX -0.02238 0.05272 -0.01206 -0.00160 0.04540 173 2PY 0.01713 -0.04422 0.01598 0.01257 -0.02151 174 2PZ 0.00808 0.01948 0.00097 -0.00700 -0.00263 175 3S 0.13582 0.05658 0.07911 0.06034 0.08518 176 3PX -0.00651 0.01161 -0.00482 -0.00015 0.01454 177 3PY 0.00361 -0.00984 0.00614 0.00432 -0.00701 178 3PZ -0.00076 0.00329 -0.00240 -0.00202 -0.00334 179 4XX 0.00121 -0.00488 0.00065 -0.00009 -0.00329 180 4YY -0.00118 0.00207 -0.00068 -0.00024 0.00057 181 4ZZ -0.00154 0.00217 -0.00096 -0.00076 0.00063 182 4XY -0.00075 0.00046 -0.00022 0.00034 0.00194 183 4XZ -0.00146 0.00478 -0.00114 -0.00016 0.00334 184 4YZ 0.00166 -0.00491 0.00156 0.00104 -0.00169 185 15 H 1S 0.05032 0.02015 0.03011 0.02534 0.03994 186 2S 0.00980 0.00358 0.00584 0.00626 0.01188 187 16 H 1S 0.04771 0.01934 0.02622 0.02136 0.03558 188 2S 0.00819 0.00282 0.00409 0.00516 0.00990 189 17 C 1S -0.01805 -0.10845 0.00129 0.00337 -0.04607 190 2S 0.03424 0.20652 -0.00331 -0.00710 0.09057 191 2PX 0.00436 -0.01669 0.00597 0.00624 0.02231 192 2PY 0.04496 -0.02219 0.03110 0.02198 0.03444 193 2PZ -0.03552 0.00429 -0.02217 -0.01769 -0.03292 194 3S 0.02889 0.17782 0.00168 -0.00306 0.08213 195 3PX 0.00058 -0.00278 -0.00006 0.00047 0.00910 196 3PY 0.01110 -0.00499 0.00779 0.00400 0.00926 197 3PZ -0.00767 0.00354 -0.00560 -0.00362 -0.00756 198 4XX -0.00160 -0.00048 -0.00114 -0.00093 -0.00207 199 4YY -0.00023 -0.00035 -0.00008 0.00022 -0.00104 200 4ZZ 0.00148 -0.00129 0.00107 0.00102 0.00144 201 4XY -0.00521 0.00209 -0.00329 -0.00192 -0.00387 202 4XZ 0.00374 -0.00131 0.00228 0.00148 0.00230 203 4YZ -0.00129 0.00014 -0.00088 -0.00095 0.00048 204 18 C 1S 0.06343 -0.08686 0.04399 0.02254 0.04167 205 2S -0.12067 0.16601 -0.08450 -0.04326 -0.08217 206 2PX 0.03787 0.04892 0.01063 -0.00310 0.03580 207 2PY 0.00308 0.01750 -0.00172 -0.01078 0.00950 208 2PZ -0.02367 -0.01612 -0.00483 0.00600 -0.01960 209 3S -0.10820 0.14473 -0.07489 -0.04604 -0.07566 210 3PX 0.01204 0.00804 0.00214 -0.00219 0.01000 211 3PY 0.00315 -0.00070 0.00062 -0.00484 0.00728 212 3PZ -0.00551 -0.00264 0.00011 0.00124 -0.00611 213 4XX -0.00125 -0.00284 0.00022 0.00069 0.00124 214 4YY 0.00221 0.00096 0.00091 -0.00019 0.00139 215 4ZZ 0.00038 -0.00015 0.00041 0.00067 -0.00017 216 4XY 0.00354 0.00539 0.00130 0.00112 0.00437 217 4XZ 0.00050 0.00024 -0.00061 -0.00100 -0.00149 218 4YZ -0.00197 -0.00239 -0.00067 -0.00050 -0.00197 219 19 H 1S -0.03671 0.05076 -0.02733 -0.01367 -0.02840 220 2S -0.00603 0.00865 -0.00525 -0.00294 -0.00591 221 20 H 1S -0.04074 0.05428 -0.02735 -0.01068 -0.03052 222 2S -0.00808 0.01054 -0.00589 -0.00096 -0.00793 223 21 H 1S 0.01002 0.06187 -0.00042 -0.00248 0.03121 224 2S 0.00179 0.01066 -0.00044 -0.00068 0.00757 225 22 H 1S 0.01030 0.06519 -0.00109 -0.00151 0.03796 226 2S 0.00223 0.01259 0.00020 -0.00033 0.01030 227 23 H 1S -0.00122 -0.06671 -0.02880 -0.02211 0.00360 228 2S -0.00188 -0.01036 -0.00612 0.00071 -0.00094 229 24 H 1S -0.05201 -0.01398 -0.01201 -0.00939 -0.02909 230 2S -0.01067 0.00009 0.00460 -0.00363 -0.01136 231 25 H 1S 0.00196 -0.00092 0.03655 0.07568 0.03560 232 2S -0.00491 0.00222 0.00907 0.02348 0.01022 233 26 H 1S 0.00949 -0.00264 0.04040 0.07458 0.03680 234 2S -0.00051 -0.00017 0.01102 0.02436 0.01076 235 27 H 1S 0.06702 0.01602 0.02072 -0.03635 -0.07998 236 2S 0.01374 0.00128 0.00595 -0.00764 -0.02680 237 28 Br 1S 0.01687 0.00261 -0.00656 -0.00902 -0.00385 238 2S -0.10981 -0.01690 0.04271 0.05881 0.02512 239 3S 0.12773 0.01951 -0.04975 -0.06856 -0.02927 240 4S 0.22835 0.03541 -0.08887 -0.12297 -0.05265 241 5S -0.19297 -0.02637 0.07361 0.10017 0.04321 242 6S -0.13785 -0.03058 0.05892 0.09332 0.04156 243 7PX 0.00168 -0.00011 0.00018 -0.00186 0.00249 244 7PY 0.00103 0.00018 -0.00514 -0.00440 0.00125 245 7PZ 0.00628 0.00198 -0.00126 -0.00881 -0.00741 246 8PX -0.00511 0.00034 -0.00055 0.00568 -0.00761 247 8PY -0.00313 -0.00056 0.01568 0.01343 -0.00383 248 8PZ -0.01911 -0.00604 0.00382 0.02691 0.02263 249 9PX 0.00828 -0.00048 0.00121 -0.00968 0.01319 250 9PY 0.00496 0.00117 -0.02665 -0.02318 0.00657 251 9PZ 0.03128 0.01016 -0.00657 -0.04656 -0.03875 252 10PX 0.00283 -0.00150 -0.00035 -0.00356 0.00781 253 10PY -0.00040 -0.00156 -0.01087 -0.00956 0.00419 254 10PZ 0.00878 0.00338 0.00157 -0.01610 -0.01782 255 11XX -0.05605 -0.00759 0.02106 0.02794 0.01091 256 11YY -0.05568 -0.00846 0.02508 0.02974 0.00988 257 11ZZ -0.06148 -0.01037 0.02130 0.03530 0.01889 258 11XY -0.00070 0.00016 0.00099 0.00182 -0.00132 259 11XZ -0.00158 -0.00038 -0.00105 0.00136 -0.00162 260 11YZ -0.00114 -0.00083 0.00322 0.00427 0.00097 261 12XX -0.01952 -0.00317 0.00783 0.01138 0.00669 262 12YY -0.02079 -0.00138 0.00166 0.00822 0.00823 263 12ZZ -0.01359 0.00173 0.00947 0.00016 -0.00704 264 12XY 0.00119 -0.00053 -0.00216 -0.00365 0.00252 265 12XZ 0.00152 0.00056 0.00245 -0.00157 0.00337 266 12YZ 0.00034 0.00145 -0.00451 -0.00776 -0.00235 267 29 C 1S 0.05107 -0.05339 -0.14069 0.02684 0.04768 268 2S -0.09683 0.10228 0.26996 -0.05267 -0.09260 269 2PX -0.00009 -0.01665 0.00746 -0.01539 -0.01248 270 2PY 0.00709 0.00086 0.01834 0.00591 -0.05121 271 2PZ -0.00253 -0.00066 0.02249 -0.02225 -0.03303 272 3S -0.09910 0.09918 0.27667 -0.05352 -0.10423 273 3PX 0.00070 -0.00872 -0.00254 -0.00740 -0.00311 274 3PY 0.00565 0.00192 -0.00164 0.00084 -0.01125 275 3PZ -0.00184 0.00214 0.00492 -0.00773 -0.00231 276 4XX -0.00023 0.00042 0.00207 -0.00001 -0.00277 277 4YY -0.00035 -0.00018 -0.00105 -0.00136 0.00263 278 4ZZ 0.00094 -0.00069 -0.00290 0.00178 0.00215 279 4XY 0.00012 0.00053 -0.00069 0.00080 0.00112 280 4XZ 0.00006 0.00119 -0.00138 0.00082 0.00195 281 4YZ 0.00022 -0.00080 -0.00454 0.00152 0.00576 282 30 H 1S -0.03273 0.04120 0.10001 -0.01473 -0.04661 283 2S -0.00676 0.00697 0.02404 -0.00405 -0.02017 284 31 H 1S -0.03620 0.03306 0.10060 -0.03090 -0.03766 285 2S -0.00800 0.00663 0.02506 -0.00957 -0.01570 286 32 H 1S -0.03004 0.02953 0.10178 -0.01968 -0.05372 287 2S -0.00430 0.00400 0.02757 -0.00307 -0.02257 288 33 H 1S 0.03239 0.01796 -0.04707 0.05875 -0.03778 289 2S 0.00606 0.00024 -0.00978 0.01518 -0.01212 290 34 H 1S 0.03296 0.02292 -0.03161 0.06159 -0.06343 291 2S 0.00750 0.00297 -0.00385 0.01946 -0.02152 292 35 H 1S 0.02415 0.01226 0.00533 -0.04815 -0.02482 293 2S 0.00371 0.00478 0.00704 -0.01518 -0.01185 294 36 H 1S 0.02863 0.01063 -0.00149 -0.05462 -0.02394 295 2S 0.00582 0.00358 0.00101 -0.01571 -0.00785 296 37 H 1S -0.00782 -0.02526 0.03077 -0.04933 0.05399 297 2S -0.00315 -0.00553 0.00789 -0.01261 0.01530 298 38 H 1S -0.00884 -0.02738 0.03854 -0.05593 0.05402 299 2S -0.00247 -0.00678 0.00884 -0.01484 0.01878 300 39 H 1S -0.03110 -0.02267 0.01979 0.06892 -0.03751 301 2S -0.01021 -0.00288 0.01444 0.01965 -0.01560 302 40 H 1S -0.02540 -0.02791 0.01286 0.06078 -0.05175 303 2S -0.00630 -0.00528 0.00506 0.01780 -0.01901 41 42 43 44 45 O O O O O Eigenvalues -- -0.74961 -0.72077 -0.70280 -0.67713 -0.66530 1 1 C 1S 0.02061 0.03721 -0.02527 -0.00795 -0.00370 2 2S -0.04170 -0.07368 0.04908 0.01540 0.00877 3 2PX 0.11007 0.02445 0.06375 -0.02071 -0.00399 4 2PY -0.00715 0.03132 0.02540 0.01124 -0.06579 5 2PZ 0.01722 -0.06988 0.09083 0.02467 -0.02957 6 3S -0.04082 -0.09899 0.08120 0.02439 0.00770 7 3PX 0.03219 -0.00073 0.03142 -0.00264 -0.00860 8 3PY 0.00720 0.01588 0.01831 0.00679 -0.02994 9 3PZ 0.00095 -0.02554 0.03072 0.00976 -0.01213 10 4XX 0.00669 0.00415 -0.00038 -0.00200 0.00171 11 4YY -0.00316 -0.00304 -0.00058 0.00107 0.00033 12 4ZZ -0.00338 0.00098 -0.00174 0.00055 -0.00110 13 4XY -0.00081 -0.00265 0.00354 0.00121 -0.00185 14 4XZ -0.00344 0.00054 -0.00282 0.00000 -0.00079 15 4YZ 0.00241 -0.00299 0.00513 0.00093 -0.00048 16 2 C 1S 0.05168 -0.03727 0.06129 0.00664 -0.00174 17 2S -0.10229 0.07551 -0.12293 -0.01316 0.00346 18 2PX 0.05039 -0.01444 0.06378 0.00228 -0.01298 19 2PY 0.06498 -0.00978 0.09183 0.00916 -0.03882 20 2PZ -0.02592 -0.02599 0.02924 0.01798 -0.02923 21 3S -0.11403 0.07847 -0.14735 -0.01814 0.00760 22 3PX 0.01359 -0.00331 0.01556 -0.00214 -0.00398 23 3PY 0.02036 -0.00586 0.03196 0.00266 -0.01224 24 3PZ -0.01094 -0.01179 0.00898 0.00589 -0.01134 25 4XX 0.00139 0.00094 0.00016 -0.00011 -0.00118 26 4YY 0.00392 -0.00214 0.00457 0.00011 0.00118 27 4ZZ -0.00220 -0.00194 -0.00055 0.00050 0.00087 28 4XY 0.00462 -0.00150 0.00506 0.00040 -0.00136 29 4XZ -0.00010 -0.00073 0.00173 0.00018 -0.00091 30 4YZ -0.00225 0.00428 -0.00633 -0.00117 0.00054 31 3 C 1S -0.06855 0.02511 -0.07781 -0.00446 0.00548 32 2S 0.13598 -0.05059 0.15524 0.00847 -0.01150 33 2PX 0.00616 -0.02672 -0.03164 -0.00051 0.01349 34 2PY 0.04311 -0.04367 0.08400 0.01018 0.00365 35 2PZ -0.00533 0.01319 0.02649 0.00935 -0.05511 36 3S 0.14066 -0.05146 0.18225 0.01259 -0.01124 37 3PX 0.00248 -0.00704 -0.00652 0.00082 0.00641 38 3PY 0.01356 -0.01414 0.02618 0.00043 0.00202 39 3PZ 0.00440 0.00584 0.01666 0.00592 -0.02695 40 4XX -0.00523 0.00076 -0.00942 -0.00080 0.00182 41 4YY -0.00236 0.00254 -0.00207 -0.00029 -0.00066 42 4ZZ 0.00257 -0.00214 0.00547 0.00065 0.00010 43 4XY -0.00322 0.00252 -0.00296 -0.00058 -0.00012 44 4XZ 0.00272 -0.00020 0.00416 0.00018 -0.00146 45 4YZ 0.00135 -0.00132 0.00166 0.00040 -0.00016 46 4 C 1S 0.02522 0.01454 0.06343 0.00416 -0.02061 47 2S -0.05006 -0.02929 -0.12523 -0.00716 0.04187 48 2PX -0.09323 0.02059 -0.07063 -0.00547 -0.00316 49 2PY 0.03211 -0.03742 0.02193 -0.01021 0.02933 50 2PZ 0.00566 0.02854 0.04860 0.00454 -0.10506 51 3S -0.05654 -0.03289 -0.16241 -0.01910 0.04885 52 3PX -0.03091 0.00577 -0.02209 -0.00301 0.00499 53 3PY 0.00848 -0.01737 0.01129 0.00387 0.00467 54 3PZ -0.00136 0.00625 0.00907 -0.00058 -0.03499 55 4XX 0.00412 -0.00188 0.00781 -0.00023 -0.00027 56 4YY -0.00115 0.00000 -0.00178 0.00014 0.00252 57 4ZZ -0.00151 0.00196 -0.00142 0.00026 -0.00279 58 4XY -0.00158 0.00061 -0.00631 -0.00134 0.00267 59 4XZ -0.00365 0.00101 -0.00146 -0.00037 -0.00208 60 4YZ 0.00019 -0.00290 -0.00221 0.00030 0.00582 61 5 C 1S 0.03294 -0.02231 -0.01010 -0.00003 0.06530 62 2S -0.06493 0.04924 0.02170 -0.00324 -0.13703 63 2PX -0.09049 -0.08604 0.02501 -0.00354 0.04563 64 2PY -0.05493 -0.00664 -0.05040 -0.01198 -0.04330 65 2PZ 0.08356 0.01516 0.04163 -0.01855 -0.04548 66 3S -0.08103 0.04164 0.02162 0.01940 -0.17266 67 3PX -0.03155 -0.02146 -0.00922 -0.00399 0.02548 68 3PY -0.00069 0.01005 -0.00389 -0.01152 -0.00600 69 3PZ 0.02652 0.00573 0.00481 -0.01924 -0.01847 70 4XX 0.00081 -0.00220 0.00470 -0.00135 0.00048 71 4YY 0.00334 -0.00029 -0.00281 0.00079 0.00664 72 4ZZ -0.00055 -0.00097 -0.00400 0.00089 0.00348 73 4XY 0.00660 0.00747 0.00069 -0.00311 0.00105 74 4XZ -0.00093 -0.00103 -0.00681 -0.00195 -0.00014 75 4YZ -0.00199 -0.00191 0.00303 0.00312 0.00119 76 6 C 1S -0.06941 -0.03232 -0.00283 0.01531 -0.03408 77 2S 0.14545 0.06773 0.00681 -0.03161 0.07134 78 2PX -0.00602 0.04417 -0.03621 0.00584 0.00492 79 2PY 0.03527 0.05028 0.10912 0.00710 -0.15634 80 2PZ 0.00257 -0.04196 0.01724 -0.00852 -0.01701 81 3S 0.18230 0.10241 0.00303 -0.05777 0.12072 82 3PX 0.01036 0.00642 0.00615 -0.00060 0.01045 83 3PY -0.00026 0.01591 0.02274 0.00397 -0.06111 84 3PZ 0.00080 -0.01826 0.01507 0.00058 -0.01741 85 4XX -0.00369 -0.00516 0.00479 0.00056 0.00037 86 4YY -0.00436 0.00182 -0.00475 0.00107 -0.00505 87 4ZZ -0.00561 -0.00216 -0.00037 0.00129 -0.00256 88 4XY -0.00023 0.00185 0.00114 -0.00021 -0.00783 89 4XZ -0.00005 0.00136 -0.00404 -0.00208 0.00103 90 4YZ 0.00299 -0.00134 0.00159 0.00057 0.00594 91 7 C 1S 0.05466 0.00391 0.01639 -0.01056 0.03508 92 2S -0.11182 -0.00760 -0.03477 0.02025 -0.06949 93 2PX 0.00556 0.00957 0.07854 -0.00005 0.10593 94 2PY 0.11331 0.00682 -0.06033 -0.04519 0.20946 95 2PZ -0.05598 -0.01178 0.04047 -0.01086 -0.16621 96 3S -0.14894 -0.00797 -0.05485 0.03875 -0.12184 97 3PX 0.01078 0.01274 0.02808 0.00266 0.06179 98 3PY 0.02610 -0.00598 -0.02343 -0.00903 0.07329 99 3PZ -0.01310 0.00204 0.01548 -0.01031 -0.05776 100 4XX -0.00088 -0.00115 0.00337 -0.00026 -0.00060 101 4YY 0.00556 0.00193 -0.00051 -0.00125 0.00104 102 4ZZ 0.00054 0.00060 -0.00124 0.00052 0.00086 103 4XY -0.00559 -0.00244 -0.00179 0.00080 -0.01372 104 4XZ 0.00408 0.00162 -0.00095 -0.00322 0.00913 105 4YZ 0.00147 -0.00096 0.00258 -0.00031 0.00077 106 8 C 1S -0.01214 -0.01220 -0.02976 0.00981 -0.03944 107 2S 0.02221 0.02575 0.06051 -0.01752 0.08067 108 2PX 0.09617 0.01216 -0.05261 -0.01382 0.03117 109 2PY 0.05627 -0.06121 -0.08759 -0.04957 -0.00887 110 2PZ -0.00657 0.01148 0.02188 -0.07099 -0.04588 111 3S 0.03303 0.02175 0.07168 -0.03788 0.10136 112 3PX 0.02946 0.01372 -0.02026 -0.00390 0.02109 113 3PY 0.02329 -0.01990 -0.03243 -0.02817 -0.00438 114 3PZ -0.00509 0.00414 0.00584 -0.03164 -0.02076 115 4XX -0.00506 0.00029 -0.00303 0.00215 -0.00769 116 4YY 0.00363 -0.00139 -0.00143 -0.00027 0.00206 117 4ZZ 0.00056 0.00086 0.00222 -0.00146 0.00138 118 4XY 0.00261 -0.00240 -0.00439 -0.00180 -0.00636 119 4XZ -0.00160 -0.00048 0.00079 -0.00125 0.00258 120 4YZ -0.00199 0.00318 0.00309 0.00052 0.00017 121 9 C 1S -0.06330 0.03841 0.06808 0.02153 0.04048 122 2S 0.12910 -0.07706 -0.13868 -0.04222 -0.08077 123 2PX -0.01156 0.09261 -0.01881 0.00635 -0.07041 124 2PY -0.01606 -0.09267 -0.01146 -0.07750 -0.07412 125 2PZ 0.05617 0.00912 -0.05989 -0.12242 -0.03287 126 3S 0.11407 -0.08500 -0.14993 -0.06304 -0.10827 127 3PX -0.00683 0.03183 0.00267 -0.00549 -0.02031 128 3PY 0.00379 -0.02865 -0.01310 -0.04067 -0.01814 129 3PZ 0.02153 -0.00248 -0.02291 -0.03311 -0.01859 130 4XX -0.00470 0.00484 0.00387 0.00294 0.00286 131 4YY -0.00083 0.00231 0.00264 -0.00091 0.00171 132 4ZZ -0.00096 -0.00288 0.00077 -0.00050 -0.00074 133 4XY 0.00430 -0.00243 -0.00178 -0.00504 0.00274 134 4XZ -0.00035 -0.00626 -0.00088 -0.00074 -0.00117 135 4YZ 0.00267 0.00252 -0.00570 -0.00202 -0.00526 136 10 C 1S 0.05078 0.05782 -0.04749 -0.02828 -0.01810 137 2S -0.10368 -0.11662 0.09405 0.05510 0.03705 138 2PX 0.06377 0.02277 -0.01619 -0.03778 -0.01252 139 2PY -0.03748 0.09112 0.02942 -0.10157 -0.02267 140 2PZ 0.04514 -0.04775 -0.06041 -0.08482 -0.08652 141 3S -0.08976 -0.12128 0.12133 0.07901 0.04115 142 3PX 0.01852 0.01325 -0.01304 0.00188 -0.01930 143 3PY -0.00579 0.03203 0.00583 -0.04495 -0.02193 144 3PZ 0.01682 -0.01389 -0.01074 -0.02867 -0.03177 145 4XX 0.00049 0.00595 -0.00137 -0.00238 -0.00477 146 4YY 0.00166 0.00457 -0.00073 -0.00159 0.00206 147 4ZZ 0.00281 -0.00361 -0.00236 0.00113 0.00015 148 4XY 0.00203 0.00484 0.00401 -0.00261 0.00561 149 4XZ 0.00054 -0.00431 -0.00342 0.00033 0.00010 150 4YZ -0.00611 -0.00169 0.00524 0.00557 0.00263 151 11 C 1S -0.02477 -0.09176 -0.02084 0.05190 -0.01180 152 2S 0.04915 0.18392 0.04114 -0.10314 0.02294 153 2PX 0.07487 -0.00512 -0.06699 0.03925 -0.04308 154 2PY 0.01470 0.07780 -0.00961 -0.08466 0.00985 155 2PZ -0.02076 -0.01603 0.02134 -0.08949 -0.01405 156 3S 0.04791 0.18434 0.04953 -0.12549 0.03482 157 3PX 0.02668 -0.00819 -0.01904 0.01325 -0.02230 158 3PY 0.00446 0.03302 -0.00064 -0.02340 0.00097 159 3PZ -0.00810 -0.00347 0.00206 -0.03937 -0.00511 160 4XX -0.00120 -0.00606 -0.00216 0.00638 -0.00104 161 4YY -0.00138 -0.00247 0.00162 0.00174 0.00123 162 4ZZ 0.00150 0.00322 -0.00099 -0.00399 -0.00077 163 4XY -0.00498 -0.00246 0.00470 -0.00128 0.00197 164 4XZ -0.00048 0.00578 0.00220 -0.00622 0.00263 165 4YZ 0.00195 0.00104 -0.00139 0.00065 -0.00051 166 12 H 1S 0.01336 0.09641 0.01532 -0.04463 0.02757 167 2S 0.00160 0.03444 -0.00172 -0.02162 0.01437 168 13 H 1S 0.02266 0.08351 0.01253 -0.09765 0.00313 169 2S 0.00751 0.02782 0.00168 -0.04887 0.00274 170 14 C 1S -0.05422 0.03422 0.05265 -0.07690 0.02658 171 2S 0.10794 -0.06895 -0.10583 0.15402 -0.05432 172 2PX -0.02384 -0.08667 -0.01217 -0.01404 -0.00101 173 2PY 0.04191 0.06353 -0.02286 -0.00678 -0.01635 174 2PZ -0.02243 -0.00496 0.03334 -0.11086 0.01636 175 3S 0.09787 -0.06373 -0.10859 0.17179 -0.05427 176 3PX -0.00440 -0.02703 -0.00376 -0.00967 -0.00092 177 3PY 0.01153 0.01944 -0.01126 -0.00910 -0.00535 178 3PZ -0.01053 0.00145 0.01429 -0.03345 0.01026 179 4XX -0.00007 0.00457 0.00237 -0.00377 0.00177 180 4YY -0.00111 -0.00002 0.00020 -0.00043 0.00046 181 4ZZ -0.00161 -0.00238 0.00058 -0.00193 -0.00006 182 4XY 0.00240 -0.00384 -0.00412 0.00924 -0.00302 183 4XZ -0.00258 -0.00537 0.00050 -0.00030 0.00137 184 4YZ 0.00365 0.00397 -0.00214 0.00468 -0.00137 185 15 H 1S 0.04737 -0.02911 -0.05465 0.06778 -0.02938 186 2S 0.01450 -0.00982 -0.01904 0.03023 -0.01178 187 16 H 1S 0.03919 -0.02966 -0.04561 0.10904 -0.02285 188 2S 0.01034 -0.00979 -0.01532 0.05144 -0.00595 189 17 C 1S 0.05160 0.06080 -0.03439 0.07700 -0.02832 190 2S -0.10198 -0.12225 0.06868 -0.15432 0.05751 191 2PX -0.01423 -0.04318 0.01924 -0.07327 0.03684 192 2PY 0.04940 -0.06691 -0.04819 -0.01127 -0.02407 193 2PZ -0.03003 0.04236 0.03143 -0.08535 0.00730 194 3S -0.09756 -0.11284 0.07101 -0.17054 0.06272 195 3PX -0.00679 -0.01763 0.00805 -0.01693 0.01736 196 3PY 0.01461 -0.02235 -0.01532 -0.00833 -0.01243 197 3PZ -0.00940 0.01085 0.01294 -0.02922 0.00284 198 4XX -0.00032 0.00182 0.00044 0.00126 -0.00014 199 4YY 0.00079 0.00428 -0.00024 0.00370 -0.00023 200 4ZZ 0.00205 -0.00235 -0.00234 0.00084 -0.00104 201 4XY -0.00284 0.00628 0.00195 0.00197 -0.00018 202 4XZ 0.00259 -0.00258 -0.00194 0.00270 -0.00058 203 4YZ -0.00359 -0.00309 0.00375 -0.00954 0.00330 204 18 C 1S 0.03452 -0.08946 -0.01915 -0.04615 0.00338 205 2S -0.06920 0.17891 0.03928 0.09140 -0.00695 206 2PX -0.06932 -0.00820 0.06785 -0.07489 0.04145 207 2PY 0.00203 -0.08110 -0.01760 -0.08944 -0.02644 208 2PZ 0.03425 0.02131 -0.03888 -0.04439 -0.03440 209 3S -0.06025 0.17900 0.03309 0.11174 -0.00583 210 3PX -0.02111 -0.00832 0.01928 -0.03352 0.00794 211 3PY 0.00372 -0.03655 -0.00864 -0.02586 -0.01040 212 3PZ 0.00962 0.01060 -0.01405 -0.02022 -0.01041 213 4XX 0.00295 -0.00630 -0.00223 -0.00415 0.00094 214 4YY -0.00120 -0.00255 0.00098 -0.00288 -0.00026 215 4ZZ 0.00006 0.00322 0.00010 0.00285 0.00026 216 4XY -0.00478 -0.00184 0.00492 -0.00358 0.00479 217 4XZ -0.00306 0.00548 0.00344 0.00562 0.00143 218 4YZ 0.00186 0.00094 -0.00198 0.00195 -0.00160 219 19 H 1S -0.03028 0.08295 0.02711 0.09014 0.01471 220 2S -0.01088 0.02864 0.01294 0.04687 0.01084 221 20 H 1S -0.02732 0.09371 0.02059 0.03189 0.00178 222 2S -0.00846 0.03398 0.01002 0.01445 0.00230 223 21 H 1S -0.03692 -0.05201 0.02775 -0.10764 0.02443 224 2S -0.01007 -0.01682 0.00778 -0.05088 0.00835 225 22 H 1S -0.04547 -0.05459 0.03688 -0.07013 0.04007 226 2S -0.01360 -0.01891 0.01372 -0.03106 0.01536 227 23 H 1S -0.05091 -0.05187 0.05408 0.09356 0.06345 228 2S -0.01700 -0.01694 0.02199 0.05370 0.03067 229 24 H 1S 0.06130 -0.04021 -0.08186 -0.08983 -0.07621 230 2S 0.02070 -0.01393 -0.03306 -0.05178 -0.03456 231 25 H 1S -0.00210 0.03890 0.05340 0.02854 0.05094 232 2S -0.00128 0.02143 0.02472 0.01659 0.02044 233 26 H 1S 0.00830 0.01756 0.03562 -0.04343 0.01119 234 2S 0.00429 0.00725 0.01502 -0.02114 0.00034 235 27 H 1S -0.09327 -0.01339 -0.01046 0.02106 -0.18407 236 2S -0.03892 -0.01033 -0.00072 0.01408 -0.10098 237 28 Br 1S -0.00339 0.00060 -0.00420 0.00248 0.00408 238 2S 0.02230 -0.00388 0.02765 -0.01635 -0.02696 239 3S -0.02639 0.00447 -0.03262 0.01939 0.03207 240 4S -0.04622 0.00829 -0.05788 0.03397 0.05620 241 5S 0.04693 -0.00458 0.04682 -0.03627 -0.05189 242 6S 0.01467 -0.01156 0.04961 -0.00910 -0.03187 243 7PX -0.00195 -0.00035 0.00214 0.00534 0.00525 244 7PY 0.00342 0.00199 -0.00645 0.00017 0.01770 245 7PZ -0.00504 0.00049 -0.00810 0.00384 0.00270 246 8PX 0.00596 0.00107 -0.00654 -0.01636 -0.01607 247 8PY -0.01048 -0.00611 0.01977 -0.00051 -0.05427 248 8PZ 0.01541 -0.00149 0.02481 -0.01175 -0.00830 249 9PX -0.01015 -0.00169 0.01067 0.02803 0.02814 250 9PY 0.01887 0.01097 -0.03474 0.00044 0.09590 251 9PZ -0.02602 0.00291 -0.04428 0.02030 0.01598 252 10PX -0.00540 -0.00221 0.01192 0.02122 0.01911 253 10PY 0.00606 0.00388 -0.01972 0.00304 0.05828 254 10PZ -0.01358 0.00069 -0.01841 0.01188 0.00705 255 11XX 0.01192 -0.00113 0.01189 -0.00935 -0.01458 256 11YY 0.00836 -0.00334 0.01494 -0.00727 -0.01857 257 11ZZ 0.01567 -0.00157 0.01764 -0.00971 -0.01061 258 11XY 0.00016 0.00053 -0.00032 -0.00144 -0.00202 259 11XZ 0.00142 -0.00058 -0.00022 -0.00156 -0.00206 260 11YZ -0.00294 -0.00099 0.00392 0.00074 -0.00844 261 12XX 0.00669 -0.00113 0.00840 -0.00383 -0.00517 262 12YY 0.01300 0.00292 0.00160 -0.00796 0.00304 263 12ZZ 0.00089 0.00027 -0.00228 -0.00443 -0.01236 264 12XY -0.00053 -0.00127 0.00090 0.00349 0.00464 265 12XZ -0.00246 0.00127 0.00107 0.00308 0.00434 266 12YZ 0.00573 0.00185 -0.00803 -0.00135 0.01835 267 29 C 1S -0.00176 0.01016 0.01386 -0.01644 -0.03531 268 2S 0.00405 -0.01903 -0.02771 0.03198 0.07053 269 2PX -0.02281 -0.01657 -0.02021 -0.03012 0.03625 270 2PY -0.01207 -0.00952 -0.02151 0.02002 0.07464 271 2PZ 0.03048 -0.02366 -0.01181 0.02236 0.10299 272 3S -0.00275 -0.02881 -0.03422 0.05044 0.09207 273 3PX -0.00761 -0.00833 -0.00814 -0.01854 0.00955 274 3PY -0.00859 -0.00254 -0.01470 0.00973 0.02676 275 3PZ 0.01081 -0.00153 -0.00231 0.00959 0.03699 276 4XX 0.00118 -0.00032 -0.00012 0.00132 0.00333 277 4YY 0.00144 0.00020 0.00066 -0.00039 0.00030 278 4ZZ -0.00287 0.00079 -0.00034 -0.00080 -0.00371 279 4XY -0.00025 0.00163 0.00009 -0.00093 -0.00116 280 4XZ 0.00156 0.00107 -0.00003 0.00006 -0.00252 281 4YZ -0.00111 0.00213 0.00247 -0.00059 -0.00801 282 30 H 1S 0.01323 -0.00859 -0.00350 0.03540 0.04307 283 2S 0.01101 -0.00872 0.00972 0.01459 0.01589 284 31 H 1S 0.01420 -0.01931 -0.01677 0.00871 0.05742 285 2S 0.00859 -0.01387 -0.01333 -0.00257 0.02685 286 32 H 1S -0.01192 -0.01024 -0.02333 0.00199 0.06047 287 2S -0.00211 0.00260 -0.00609 -0.00737 0.03124 288 33 H 1S -0.03155 -0.01321 -0.07634 -0.00046 0.05781 289 2S -0.01425 -0.00745 -0.03175 0.00345 0.03443 290 34 H 1S -0.02975 -0.01894 -0.06301 -0.01212 0.03990 291 2S -0.00961 -0.00111 -0.02402 -0.01177 0.02393 292 35 H 1S 0.06199 -0.02893 0.09886 0.01155 -0.02314 293 2S 0.01952 -0.01284 0.03947 0.00815 -0.00866 294 36 H 1S 0.05970 -0.02823 0.07401 0.00229 0.01560 295 2S 0.02152 -0.01028 0.03067 0.00173 0.00631 296 37 H 1S -0.04893 0.04189 -0.09024 -0.01581 0.02717 297 2S -0.01752 0.01484 -0.03929 -0.00902 0.01533 298 38 H 1S -0.05358 0.03101 -0.06089 -0.00296 -0.00182 299 2S -0.01888 0.01220 -0.02493 -0.00146 -0.00147 300 39 H 1S -0.01209 -0.05133 0.06641 0.02279 -0.02883 301 2S -0.00479 -0.02309 0.03002 0.01365 -0.01433 302 40 H 1S -0.03984 -0.05570 0.00245 0.01056 0.02426 303 2S -0.01587 -0.02341 0.00164 0.00674 0.00344 46 47 48 49 50 O O O O O Eigenvalues -- -0.64526 -0.62919 -0.61603 -0.59812 -0.58671 1 1 C 1S -0.02832 -0.00393 -0.00516 0.02599 0.00630 2 2S 0.05441 0.00742 0.01130 -0.05329 -0.01356 3 2PX -0.19476 -0.01294 -0.01106 0.06516 0.02603 4 2PY 0.02256 0.19648 -0.02307 0.13791 -0.08869 5 2PZ 0.15976 0.02699 -0.08375 0.04083 -0.07275 6 3S 0.09338 0.01511 0.01939 -0.08422 -0.01951 7 3PX -0.06479 0.00026 -0.00697 0.02801 0.00325 8 3PY 0.00463 0.09393 0.00155 0.07190 -0.04308 9 3PZ 0.06819 0.01314 -0.03957 0.02118 -0.04252 10 4XX -0.00891 -0.00350 -0.00163 0.00261 0.00516 11 4YY 0.00840 -0.00356 0.00210 -0.00143 -0.00171 12 4ZZ 0.00314 0.00640 -0.00276 0.00099 -0.00415 13 4XY 0.00433 -0.00011 -0.00095 -0.00928 -0.00087 14 4XZ 0.00396 0.00244 -0.00365 0.00408 0.00187 15 4YZ 0.00420 0.00354 -0.00308 0.00311 -0.00375 16 2 C 1S 0.00827 -0.00727 0.00622 -0.02268 -0.00952 17 2S -0.01528 0.01690 -0.01005 0.04846 0.01989 18 2PX -0.09699 0.03333 0.04182 -0.07372 -0.04722 19 2PY 0.03807 0.00140 -0.00043 0.10909 -0.08017 20 2PZ 0.09814 0.08679 0.05738 0.08810 -0.04040 21 3S -0.02604 0.00802 -0.03011 0.05425 0.02112 22 3PX -0.04871 0.00993 0.00765 -0.04396 -0.02292 23 3PY 0.01840 -0.00112 0.00267 0.04650 -0.03215 24 3PZ 0.04770 0.02746 0.01727 0.04389 -0.01878 25 4XX -0.00030 0.00234 0.00057 0.00608 -0.00056 26 4YY -0.00014 -0.00673 0.00211 -0.00444 0.00171 27 4ZZ 0.00320 0.00167 -0.00276 -0.00418 -0.00046 28 4XY 0.00001 -0.00049 -0.00016 -0.00174 -0.00206 29 4XZ -0.00229 0.00247 0.00248 -0.00036 0.00058 30 4YZ -0.00388 -0.00029 -0.00175 0.00332 0.00451 31 3 C 1S -0.00913 0.02837 -0.00801 0.01863 0.00916 32 2S 0.01724 -0.05785 0.01477 -0.04107 -0.01992 33 2PX -0.01557 0.07080 0.01148 -0.04372 0.05765 34 2PY 0.09465 -0.06810 0.02953 0.01341 0.05040 35 2PZ 0.02412 0.05087 0.10993 0.15712 0.02222 36 3S 0.03338 -0.07318 0.03003 -0.03180 -0.02335 37 3PX -0.00781 0.02744 0.01012 -0.00716 0.02398 38 3PY 0.02847 -0.02971 0.00725 -0.00355 0.01788 39 3PZ 0.00592 0.03017 0.05223 0.06933 0.01320 40 4XX 0.00059 0.00363 -0.00223 0.00170 0.00384 41 4YY -0.00282 -0.00006 0.00141 0.00075 -0.00082 42 4ZZ 0.00410 -0.00315 -0.00041 -0.00026 -0.00156 43 4XY 0.00074 -0.00031 0.00022 0.00488 0.00235 44 4XZ -0.00043 -0.00437 0.00171 -0.00282 0.00189 45 4YZ 0.00160 -0.00066 0.00269 0.00311 0.00226 46 4 C 1S -0.00272 -0.03021 0.01712 -0.00314 -0.00842 47 2S 0.00595 0.06159 -0.03248 0.00803 0.01794 48 2PX 0.05724 -0.03473 0.02798 0.11549 0.03179 49 2PY 0.07269 -0.00987 0.01517 0.02315 0.16102 50 2PZ 0.01003 -0.01938 0.15451 0.06863 0.09512 51 3S 0.00997 0.07541 -0.05816 -0.00013 0.02759 52 3PX 0.03074 -0.01815 0.01190 0.06257 0.01392 53 3PY 0.03815 -0.00601 0.01140 0.01751 0.07568 54 3PZ 0.00501 -0.00951 0.05562 0.02831 0.04581 55 4XX 0.00115 -0.00514 0.00160 -0.00272 0.00114 56 4YY 0.00188 0.00003 -0.00118 0.00182 0.00025 57 4ZZ -0.00054 0.00146 -0.00069 0.00026 -0.00256 58 4XY -0.00056 0.00419 -0.00180 0.00214 0.00552 59 4XZ 0.00174 -0.00482 0.00142 -0.00110 0.00052 60 4YZ -0.00095 0.00165 -0.00578 -0.00176 -0.00443 61 5 C 1S -0.03458 0.04043 -0.02184 0.01669 0.00018 62 2S 0.07428 -0.08185 0.04820 -0.03400 -0.00304 63 2PX 0.08406 -0.14981 -0.01094 -0.02859 -0.01747 64 2PY 0.00464 -0.02805 0.10403 0.07605 0.13246 65 2PZ 0.03324 0.02293 -0.05194 -0.08808 0.10189 66 3S 0.08673 -0.13874 0.06070 -0.05990 0.02174 67 3PX 0.04358 -0.05239 -0.02649 -0.02044 0.01274 68 3PY -0.00543 0.00745 0.05755 0.02857 0.05490 69 3PZ 0.01423 -0.00051 -0.00904 -0.03804 0.05628 70 4XX -0.00730 -0.00005 0.00059 -0.00164 -0.00159 71 4YY 0.00278 0.00288 0.00281 0.00364 0.00357 72 4ZZ -0.00113 0.00225 -0.00628 0.00119 -0.00121 73 4XY -0.00254 0.00098 -0.00195 -0.00285 -0.00100 74 4XZ 0.00058 0.00039 0.00317 -0.00429 -0.00102 75 4YZ -0.00319 -0.00391 0.00380 -0.00131 -0.00182 76 6 C 1S 0.03260 0.00721 0.01157 -0.01853 -0.01864 77 2S -0.07008 -0.01707 -0.02620 0.04408 0.04417 78 2PX 0.19901 0.08701 -0.06897 -0.01501 -0.03265 79 2PY -0.08600 0.09496 -0.06167 -0.09651 -0.03292 80 2PZ 0.05614 -0.01068 -0.11264 0.06759 0.08385 81 3S -0.10182 -0.00938 -0.04381 0.05112 0.05496 82 3PX 0.07614 0.04003 -0.03425 -0.01770 -0.01720 83 3PY -0.02286 0.06602 -0.03382 -0.02532 -0.00539 84 3PZ 0.02727 -0.00370 -0.06169 0.02436 0.03608 85 4XX 0.00232 -0.00235 -0.00116 -0.00937 0.00164 86 4YY 0.00426 0.00224 0.00771 0.00457 -0.00129 87 4ZZ 0.00090 0.00034 -0.00229 0.00121 -0.00438 88 4XY -0.00196 -0.00975 -0.00050 -0.00657 -0.00124 89 4XZ -0.00269 0.00042 -0.00128 -0.00081 0.00694 90 4YZ 0.00149 0.00086 0.00531 -0.00127 -0.00148 91 7 C 1S -0.01321 -0.03530 -0.00100 0.00601 0.00169 92 2S 0.02948 0.07454 -0.00200 -0.01038 0.00275 93 2PX 0.08392 0.17396 -0.03555 -0.12465 0.10466 94 2PY 0.12885 -0.01777 -0.07119 0.11759 0.11999 95 2PZ -0.08152 -0.04029 -0.18189 0.01858 0.03937 96 3S 0.04640 0.13078 0.01678 -0.01385 -0.02441 97 3PX 0.04770 0.08744 -0.02225 -0.05052 0.03745 98 3PY 0.05374 -0.00171 -0.03073 0.04801 0.05373 99 3PZ -0.03891 -0.02625 -0.10095 0.02012 0.02673 100 4XX -0.00483 -0.00258 0.00020 -0.00216 0.00187 101 4YY 0.00094 -0.00275 -0.00525 0.00359 0.00144 102 4ZZ -0.00105 -0.00090 0.00817 0.00073 -0.00674 103 4XY -0.00006 0.00241 -0.00283 -0.00257 -0.00660 104 4XZ 0.00109 -0.00314 0.00164 0.00370 0.00384 105 4YZ 0.00177 0.00254 0.00076 -0.00247 0.00141 106 8 C 1S 0.01090 0.02006 -0.00503 -0.00730 -0.01373 107 2S -0.02045 -0.03592 0.00990 0.01387 0.02679 108 2PX -0.02823 -0.15530 0.07118 0.11044 -0.09049 109 2PY 0.08843 0.05397 -0.08286 0.04742 0.02491 110 2PZ -0.05543 -0.12121 -0.17117 0.12801 0.04942 111 3S -0.04226 -0.08318 0.03077 0.02559 0.04982 112 3PX 0.00484 -0.04027 0.02660 0.04210 -0.04204 113 3PY 0.03814 0.01995 -0.04387 0.02266 0.01380 114 3PZ -0.02162 -0.05061 -0.07467 0.05920 0.01815 115 4XX 0.00347 0.00895 -0.00145 -0.00466 -0.00039 116 4YY -0.00102 -0.00239 0.00758 -0.00177 -0.00404 117 4ZZ -0.00409 -0.00738 -0.00584 0.00764 0.00236 118 4XY -0.00184 -0.00062 0.00231 0.00089 -0.00511 119 4XZ 0.00243 0.00329 0.00175 -0.00201 -0.00001 120 4YZ -0.00213 -0.00180 0.00268 -0.00168 -0.00189 121 9 C 1S 0.00182 -0.01615 -0.02022 -0.00610 0.01136 122 2S -0.00224 0.03208 0.04484 0.01308 -0.02347 123 2PX -0.01753 -0.00329 -0.00364 0.01754 -0.02009 124 2PY -0.03030 0.04827 -0.04601 -0.04713 0.04710 125 2PZ 0.04743 -0.08419 -0.03058 0.07296 -0.09482 126 3S -0.01432 0.04636 0.04281 0.01545 -0.03270 127 3PX -0.01271 0.00201 0.01414 0.01795 -0.00519 128 3PY -0.00012 0.02226 -0.01596 -0.02505 0.02099 129 3PZ 0.01959 -0.03724 -0.01418 0.02828 -0.03833 130 4XX 0.00432 0.00148 -0.00162 -0.00265 -0.00009 131 4YY -0.00041 -0.00469 0.00304 -0.00151 -0.00088 132 4ZZ -0.00427 -0.00066 -0.00410 0.00463 0.00121 133 4XY -0.00072 0.00195 0.00280 0.00283 -0.00006 134 4XZ -0.00113 0.00060 0.00174 -0.00107 -0.00431 135 4YZ 0.00371 0.00090 0.00033 -0.00143 -0.00421 136 10 C 1S 0.03546 0.01218 0.00816 -0.01105 -0.00464 137 2S -0.07169 -0.02686 -0.01968 0.02069 0.01338 138 2PX -0.08186 0.12258 0.00378 -0.00010 0.13153 139 2PY 0.04985 -0.08682 0.00660 0.00086 0.01048 140 2PZ 0.07363 -0.00427 0.03096 -0.13395 0.04448 141 3S -0.09993 -0.02661 0.00342 0.04312 -0.00357 142 3PX -0.02787 0.02430 -0.01125 -0.00961 0.07093 143 3PY 0.00598 -0.03811 -0.00130 -0.00025 -0.00446 144 3PZ 0.02695 0.00146 0.01980 -0.05326 0.01300 145 4XX 0.00322 -0.00179 0.00099 -0.00328 -0.00163 146 4YY 0.00084 0.00151 0.00348 0.00087 0.00143 147 4ZZ -0.00175 0.00093 -0.00323 0.00292 -0.00202 148 4XY -0.00232 0.00424 -0.00283 0.00090 -0.00093 149 4XZ -0.00459 0.00352 0.00115 0.00244 -0.00157 150 4YZ -0.00256 -0.00399 -0.00137 0.00212 -0.00222 151 11 C 1S -0.00903 -0.02185 0.00066 0.00511 0.00386 152 2S 0.01734 0.04332 -0.00183 -0.01051 -0.00706 153 2PX 0.02562 0.03166 0.01081 -0.06740 -0.00709 154 2PY 0.07964 -0.01210 0.02429 -0.03378 -0.09730 155 2PZ -0.01389 0.02124 0.04034 -0.07600 0.05101 156 3S 0.02958 0.06551 0.00290 -0.01417 -0.01499 157 3PX -0.00287 0.01964 -0.00210 -0.02860 -0.00987 158 3PY 0.02838 -0.01401 0.01179 -0.01208 -0.03039 159 3PZ -0.00117 0.01018 0.01839 -0.03343 0.02611 160 4XX 0.00084 -0.00485 -0.00013 0.00143 -0.00202 161 4YY -0.00331 0.00262 -0.00061 0.00120 0.00254 162 4ZZ 0.00314 -0.00031 0.00066 -0.00300 -0.00255 163 4XY -0.00321 -0.00038 0.00002 0.00068 0.00037 164 4XZ 0.00043 0.00297 0.00047 0.00122 -0.00300 165 4YZ 0.00106 -0.00007 0.00110 -0.00284 0.00001 166 12 H 1S 0.03318 0.00167 -0.01124 0.03163 -0.05154 167 2S 0.01933 0.00335 -0.01080 0.02363 -0.03371 168 13 H 1S 0.02871 0.02567 0.02702 -0.05792 -0.01593 169 2S 0.01511 0.01035 0.01984 -0.03928 -0.01640 170 14 C 1S -0.01308 0.02469 0.00292 0.00459 0.00120 171 2S 0.02622 -0.04936 -0.00688 -0.01031 -0.00360 172 2PX 0.01089 -0.04590 0.03289 -0.00440 -0.05217 173 2PY 0.04071 -0.00210 0.01057 -0.02863 -0.09510 174 2PZ -0.02695 0.06186 0.03385 -0.03012 0.02426 175 3S 0.03403 -0.06700 -0.00170 -0.00712 0.00737 176 3PX 0.00457 -0.01402 0.01077 -0.00362 -0.02831 177 3PY 0.02109 -0.00782 0.00611 -0.01288 -0.04319 178 3PZ -0.00861 0.02144 0.01251 -0.00806 0.01168 179 4XX -0.00071 0.00134 -0.00006 0.00159 -0.00207 180 4YY 0.00171 -0.00109 -0.00018 -0.00086 -0.00142 181 4ZZ -0.00095 0.00026 0.00020 0.00014 0.00169 182 4XY 0.00042 -0.00326 -0.00063 -0.00025 -0.00090 183 4XZ -0.00057 -0.00180 0.00011 0.00266 -0.00104 184 4YZ 0.00151 -0.00139 -0.00142 -0.00016 0.00012 185 15 H 1S 0.03157 -0.04404 0.00731 -0.01250 -0.05927 186 2S 0.01385 -0.02015 0.00450 -0.00618 -0.03513 187 16 H 1S 0.00996 -0.04165 -0.02457 0.01830 0.01980 188 2S 0.00502 -0.02286 -0.01630 0.01462 0.01151 189 17 C 1S 0.01502 -0.00833 -0.01272 -0.01114 0.00309 190 2S -0.03057 0.01834 0.02508 0.02337 -0.00494 191 2PX 0.00072 -0.02666 0.02695 0.03567 -0.08956 192 2PY -0.01466 0.00402 0.04808 -0.00323 -0.03338 193 2PZ -0.00051 0.03279 0.00507 0.00189 -0.05573 194 3S -0.03260 0.01014 0.03677 0.02348 -0.01624 195 3PX -0.00051 -0.00879 0.00715 0.01784 -0.03192 196 3PY -0.00785 0.00801 0.01689 -0.00272 -0.01156 197 3PZ -0.00489 0.01551 0.00575 0.00102 -0.01994 198 4XX -0.00095 0.00152 -0.00057 0.00004 0.00297 199 4YY 0.00248 -0.00141 -0.00119 -0.00190 -0.00162 200 4ZZ 0.00040 -0.00183 0.00084 0.00157 -0.00373 201 4XY 0.00117 0.00052 -0.00168 -0.00103 0.00068 202 4XZ -0.00051 0.00008 0.00047 -0.00041 0.00137 203 4YZ -0.00213 0.00245 0.00212 0.00153 -0.00170 204 18 C 1S -0.02352 0.00681 0.02226 0.01354 -0.00525 205 2S 0.04687 -0.01365 -0.04483 -0.02701 0.01142 206 2PX 0.01627 -0.01675 -0.04750 0.00417 -0.01628 207 2PY -0.05022 0.06589 0.02504 0.01337 0.03991 208 2PZ 0.01752 -0.03075 0.01725 0.03766 -0.12356 209 3S 0.06374 -0.01734 -0.06348 -0.04196 0.01389 210 3PX 0.00347 0.00151 -0.01809 0.00514 -0.00832 211 3PY -0.01912 0.02985 0.00249 0.00867 0.01946 212 3PZ 0.01368 -0.01698 0.00602 0.01053 -0.05695 213 4XX -0.00179 0.00172 0.00424 0.00175 -0.00210 214 4YY -0.00097 0.00132 -0.00046 -0.00113 0.00161 215 4ZZ 0.00228 -0.00365 -0.00250 0.00049 -0.00097 216 4XY -0.00032 -0.00052 0.00048 0.00027 0.00135 217 4XZ 0.00149 -0.00018 -0.00247 -0.00250 0.00053 218 4YZ 0.00022 0.00105 0.00031 -0.00150 0.00208 219 19 H 1S 0.02533 -0.01281 -0.02772 -0.03246 0.04491 220 2S 0.01209 -0.00651 -0.01410 -0.01849 0.02842 221 20 H 1S 0.04245 -0.04179 -0.03088 0.00037 -0.05977 222 2S 0.01732 -0.02658 -0.01779 0.00654 -0.03822 223 21 H 1S -0.01577 0.01694 0.03066 0.01553 -0.05291 224 2S -0.00362 0.00695 0.01653 0.00712 -0.03785 225 22 H 1S -0.00912 -0.01032 0.01004 0.02531 -0.02129 226 2S -0.00388 -0.00514 0.00531 0.01255 -0.01258 227 23 H 1S -0.06848 0.00664 -0.02701 0.07096 -0.03696 228 2S -0.03955 0.00409 -0.02376 0.04698 -0.02845 229 24 H 1S 0.00584 -0.00762 -0.01234 0.02114 -0.04488 230 2S -0.00019 -0.00900 -0.01411 0.01061 -0.03762 231 25 H 1S -0.04403 -0.04493 0.09064 -0.02830 -0.02596 232 2S -0.02225 -0.02737 0.04907 -0.02038 -0.02021 233 26 H 1S -0.04554 -0.09654 -0.08769 0.08793 0.03576 234 2S -0.02699 -0.05863 -0.06158 0.06009 0.01953 235 27 H 1S -0.07767 -0.03403 -0.02314 0.00061 -0.07184 236 2S -0.04048 -0.02499 -0.01838 -0.00699 -0.05288 237 28 Br 1S -0.00160 0.00016 0.00830 -0.00180 -0.00388 238 2S 0.01053 -0.00090 -0.05461 0.01201 0.02563 239 3S -0.01245 0.00081 0.06448 -0.01456 -0.03055 240 4S -0.02194 0.00227 0.11512 -0.02459 -0.05369 241 5S 0.03072 0.00153 -0.08647 0.02929 0.04936 242 6S -0.01185 -0.01144 -0.13095 0.00142 0.04057 243 7PX 0.00748 0.01504 0.00940 -0.00331 -0.00922 244 7PY -0.00340 -0.00449 0.01210 0.00300 -0.00523 245 7PZ 0.00035 0.00123 0.03621 -0.00585 -0.01883 246 8PX -0.02298 -0.04616 -0.02885 0.01018 0.02833 247 8PY 0.01042 0.01378 -0.03718 -0.00922 0.01606 248 8PZ -0.00111 -0.00378 -0.11121 0.01795 0.05788 249 9PX 0.04120 0.08186 0.05179 -0.01872 -0.05054 250 9PY -0.01753 -0.02465 0.06772 0.01706 -0.02825 251 9PZ 0.00287 0.00720 0.20032 -0.03138 -0.10465 252 10PX 0.02260 0.05282 0.02981 -0.00690 -0.03625 253 10PY -0.01647 -0.01424 0.03230 0.00962 -0.02264 254 10PZ -0.00189 0.00071 0.10980 -0.02094 -0.06150 255 11XX 0.00445 -0.00200 -0.02490 0.00830 0.01049 256 11YY 0.00771 0.00173 -0.02557 0.00490 0.01264 257 11ZZ 0.00470 -0.00070 -0.03714 0.00667 0.01845 258 11XY -0.00317 -0.00289 -0.00010 -0.00157 0.00220 259 11XZ -0.00392 -0.00697 -0.00481 0.00315 0.00191 260 11YZ -0.00148 0.00197 -0.00657 -0.00246 -0.00015 261 12XX 0.00860 0.00518 -0.00883 0.00167 0.01207 262 12YY 0.00208 -0.00167 -0.00785 0.00968 0.00557 263 12ZZ 0.00844 0.00210 0.01460 0.00683 -0.00489 264 12XY 0.00678 0.00638 0.00039 0.00440 -0.00581 265 12XZ 0.00764 0.01464 0.00919 -0.00626 -0.00401 266 12YZ 0.00349 -0.00404 0.01478 0.00662 0.00001 267 29 C 1S 0.02033 -0.00332 0.00204 0.00220 0.00866 268 2S -0.04050 0.00622 -0.00212 -0.00475 -0.01495 269 2PX 0.02391 -0.09638 -0.00961 -0.10134 -0.03390 270 2PY -0.04688 0.01812 0.09758 0.09547 0.00278 271 2PZ -0.06877 0.07304 -0.11534 -0.00388 -0.15414 272 3S -0.05642 0.01025 -0.01575 -0.00559 -0.03828 273 3PX 0.00834 -0.04501 0.00641 -0.05206 -0.01899 274 3PY -0.01582 -0.00217 0.05240 0.03990 0.01614 275 3PZ -0.02972 0.02976 -0.04629 -0.01276 -0.06466 276 4XX -0.00382 0.00453 0.00291 0.00554 -0.00093 277 4YY 0.00105 -0.00046 -0.00294 -0.00303 -0.00091 278 4ZZ 0.00276 -0.00340 -0.00005 -0.00201 0.00001 279 4XY 0.00095 -0.00279 0.00257 -0.00231 0.00287 280 4XZ -0.00020 0.00189 -0.00262 -0.00214 -0.00035 281 4YZ 0.00373 -0.00177 0.00396 0.00054 0.00582 282 30 H 1S -0.04588 0.06706 0.01535 0.08060 -0.01437 283 2S -0.02000 0.04663 0.01591 0.06221 -0.01481 284 31 H 1S -0.02846 0.01319 -0.08883 -0.04847 -0.08718 285 2S -0.01110 0.00549 -0.06587 -0.02275 -0.05532 286 32 H 1S -0.01743 -0.03258 0.04654 -0.00498 -0.00162 287 2S -0.00586 -0.01337 0.02485 -0.00188 -0.00023 288 33 H 1S -0.02345 0.03674 -0.09256 -0.03109 -0.08898 289 2S -0.01555 0.01574 -0.06382 -0.01720 -0.06133 290 34 H 1S 0.04949 0.01408 -0.01211 0.04491 0.08495 291 2S 0.02339 0.00521 -0.00401 0.02534 0.05202 292 35 H 1S 0.05080 -0.02880 0.06176 0.05737 0.01821 293 2S 0.03221 -0.01244 0.03799 0.04778 0.01462 294 36 H 1S 0.02163 -0.07581 -0.03638 -0.07607 -0.01901 295 2S 0.01055 -0.03715 -0.02095 -0.04335 -0.00920 296 37 H 1S -0.05529 -0.03388 -0.03390 -0.05115 0.05826 297 2S -0.02630 -0.02457 -0.02694 -0.03638 0.03885 298 38 H 1S 0.05759 0.00331 -0.01794 0.08992 0.01453 299 2S 0.02907 0.00147 -0.01258 0.04968 0.00675 300 39 H 1S 0.11110 0.08338 -0.04498 0.04421 -0.07585 301 2S 0.06396 0.05418 -0.03446 0.03919 -0.05146 302 40 H 1S 0.08452 -0.08429 0.01132 -0.10981 0.01775 303 2S 0.04619 -0.05198 0.00896 -0.06743 0.00971 51 52 53 54 55 O O O O O Eigenvalues -- -0.58111 -0.57473 -0.56699 -0.55460 -0.54802 1 1 C 1S -0.02252 0.00241 -0.00305 0.00272 0.00391 2 2S 0.04771 -0.00477 0.00923 -0.00980 -0.00489 3 2PX -0.03444 0.21955 0.01451 0.02092 -0.06100 4 2PY 0.02509 0.16135 0.11642 -0.03443 0.03212 5 2PZ -0.14442 0.00935 0.04069 0.12272 -0.12345 6 3S 0.07621 0.00670 -0.00480 0.00645 -0.02665 7 3PX -0.00680 0.09804 -0.00915 0.02290 -0.02879 8 3PY 0.00993 0.06641 0.06466 -0.02164 0.01291 9 3PZ -0.06515 0.00988 0.02904 0.07005 -0.05692 10 4XX -0.00624 0.00394 -0.00202 -0.00190 0.00070 11 4YY 0.00081 -0.00923 -0.00028 0.00187 0.00115 12 4ZZ 0.00042 0.00320 0.00295 0.00160 -0.00286 13 4XY 0.00099 -0.00980 -0.00488 0.00117 -0.00285 14 4XZ -0.00415 0.00273 -0.00025 -0.00021 0.00076 15 4YZ -0.00531 0.00449 0.00376 0.00299 -0.00558 16 2 C 1S 0.01248 -0.01839 -0.00190 0.00366 -0.00532 17 2S -0.02440 0.03751 0.00499 -0.00801 0.01006 18 2PX 0.19697 0.07119 0.00535 0.01437 -0.00605 19 2PY -0.05031 0.06282 0.08928 0.07178 -0.02958 20 2PZ 0.07523 -0.03140 0.08723 -0.09985 0.15650 21 3S -0.03915 0.05929 0.00454 -0.00417 0.02215 22 3PX 0.08677 0.03356 0.00479 0.00806 0.00106 23 3PY -0.01918 0.03146 0.04140 0.02258 -0.00748 24 3PZ 0.02618 -0.01314 0.03632 -0.03543 0.07452 25 4XX -0.00349 0.00164 0.00353 -0.00087 0.00316 26 4YY 0.00210 -0.00447 -0.00341 0.00069 -0.00151 27 4ZZ -0.00118 -0.00062 -0.00137 0.00093 -0.00382 28 4XY 0.00249 0.00081 -0.00041 0.00391 -0.00290 29 4XZ 0.00623 0.00290 -0.00033 -0.00293 0.00205 30 4YZ -0.00537 0.00242 -0.00344 0.00111 -0.00218 31 3 C 1S -0.01610 0.00965 0.00139 -0.00583 0.00468 32 2S 0.03287 -0.01711 -0.00107 0.01423 -0.00949 33 2PX 0.06540 -0.03870 -0.03613 -0.06888 0.09065 34 2PY -0.04774 -0.09557 -0.02990 -0.08298 0.05388 35 2PZ 0.10509 -0.00952 0.01953 -0.04547 0.13926 36 3S 0.04686 -0.03759 -0.01630 0.00481 -0.01910 37 3PX 0.03422 -0.01117 -0.02120 -0.03693 0.03884 38 3PY -0.01465 -0.03168 -0.00648 -0.03926 0.03138 39 3PZ 0.04792 -0.00988 0.00869 -0.02570 0.06589 40 4XX -0.00495 0.00102 -0.00043 -0.00128 0.00100 41 4YY 0.00345 0.00159 0.00002 0.00101 0.00004 42 4ZZ -0.00247 -0.00236 0.00070 -0.00131 -0.00006 43 4XY -0.00240 0.00416 0.00020 -0.00079 0.00026 44 4XZ -0.00103 -0.00227 -0.00357 0.00279 -0.00587 45 4YZ 0.00201 -0.00400 -0.00169 -0.00190 0.00553 46 4 C 1S 0.01037 -0.00468 -0.00861 0.00799 -0.01579 47 2S -0.02185 0.00838 0.01714 -0.01534 0.03117 48 2PX -0.06071 0.03918 0.01764 -0.01158 -0.01475 49 2PY -0.04540 0.04529 -0.05039 -0.16226 0.07976 50 2PZ 0.08015 -0.05110 -0.05951 0.02918 -0.01694 51 3S -0.02431 0.02138 0.03162 -0.03039 0.05568 52 3PX -0.01793 0.01752 -0.00543 -0.02166 -0.00792 53 3PY -0.03459 0.00939 -0.01864 -0.06645 0.02997 54 3PZ 0.03932 -0.02012 -0.02836 0.01721 -0.00127 55 4XX 0.00322 0.00252 -0.00105 -0.00027 -0.00189 56 4YY -0.00279 -0.00124 0.00049 -0.00446 0.00411 57 4ZZ -0.00211 -0.00098 0.00115 0.00469 -0.00361 58 4XY -0.00337 0.00585 -0.00009 -0.00522 0.00192 59 4XZ -0.00184 0.00022 0.00003 0.00490 -0.00618 60 4YZ -0.00117 0.00180 0.00304 0.00150 0.00104 61 5 C 1S 0.00827 0.01533 0.00170 -0.01093 0.01516 62 2S -0.01520 -0.02993 -0.00465 0.02387 -0.03442 63 2PX 0.04000 0.12927 0.06530 -0.00263 0.00883 64 2PY 0.00635 0.07020 -0.01505 0.05679 -0.10814 65 2PZ -0.09161 0.03187 -0.03990 -0.10279 -0.00038 66 3S -0.05085 -0.07212 0.00801 0.02126 -0.04291 67 3PX 0.00528 0.06937 0.04040 -0.00313 0.00325 68 3PY 0.00615 0.04979 -0.00892 0.02732 -0.05234 69 3PZ -0.01686 0.01624 -0.03213 -0.06112 0.00815 70 4XX 0.00429 0.00443 0.00293 -0.00137 0.00125 71 4YY 0.00064 -0.00293 -0.00138 0.00189 0.00298 72 4ZZ -0.00521 0.00134 -0.00037 -0.00270 -0.00232 73 4XY -0.00270 -0.00164 0.00359 -0.00268 -0.00014 74 4XZ 0.00481 0.00099 0.00475 0.00287 0.00112 75 4YZ 0.00273 -0.00012 -0.00094 0.00355 -0.00324 76 6 C 1S 0.02356 -0.01097 -0.01226 0.00578 -0.01100 77 2S -0.05557 0.02597 0.02371 -0.00926 0.02321 78 2PX -0.03155 -0.16021 0.01378 -0.00204 0.05155 79 2PY -0.04028 -0.00416 -0.06904 -0.06083 -0.00007 80 2PZ -0.09161 0.12300 -0.03267 0.06100 -0.02710 81 3S -0.07369 0.03359 0.07997 -0.03745 0.04659 82 3PX -0.00259 -0.03188 -0.00838 0.00741 0.01868 83 3PY -0.01502 0.03428 -0.03684 -0.00981 -0.01780 84 3PZ -0.07112 0.04948 -0.01718 0.01057 -0.01612 85 4XX 0.00537 0.00288 -0.00256 -0.00085 -0.00049 86 4YY -0.00238 -0.00406 0.00204 -0.00233 -0.00282 87 4ZZ 0.00185 -0.00302 0.00006 0.00395 0.00002 88 4XY -0.00692 -0.00859 -0.00535 -0.00346 0.00288 89 4XZ 0.00478 0.00077 -0.00207 -0.00352 0.00332 90 4YZ -0.00157 0.00085 0.00463 -0.00721 -0.00476 91 7 C 1S -0.01968 -0.00519 0.00814 -0.00914 0.01141 92 2S 0.04384 0.00963 -0.01403 0.02408 -0.02396 93 2PX 0.13314 0.00023 0.00064 0.03844 -0.12212 94 2PY 0.01993 0.00917 0.04118 0.09564 0.01332 95 2PZ 0.01124 0.00724 -0.09642 0.07935 0.10659 96 3S 0.06935 0.03793 -0.03448 0.02340 -0.05970 97 3PX 0.05978 -0.01062 0.02188 0.00624 -0.05127 98 3PY 0.02174 0.00450 -0.00206 0.05741 0.00883 99 3PZ 0.01090 0.00012 -0.03288 0.04754 0.06547 100 4XX 0.00118 0.00341 -0.00431 0.00160 -0.00062 101 4YY -0.00756 0.00051 0.00081 0.00023 0.00416 102 4ZZ 0.00115 -0.00477 0.00651 -0.00652 -0.00284 103 4XY 0.00366 -0.00259 -0.00846 -0.00221 0.00434 104 4XZ 0.00591 -0.00429 0.00896 -0.00236 -0.00318 105 4YZ -0.00130 0.00434 -0.00050 -0.00199 -0.00593 106 8 C 1S 0.00590 -0.00071 -0.00437 -0.00379 0.00058 107 2S -0.00778 0.00319 0.00791 0.00721 -0.00417 108 2PX -0.13820 0.01357 -0.01762 -0.03554 0.08070 109 2PY 0.17047 0.03485 -0.16268 0.07184 -0.01561 110 2PZ 0.10516 -0.12627 0.11467 0.01416 0.05839 111 3S -0.04047 -0.00255 0.00821 0.02876 0.00824 112 3PX -0.04994 0.00580 0.00200 -0.01329 0.02729 113 3PY 0.07829 0.01121 -0.07274 0.03197 -0.00362 114 3PZ 0.05773 -0.06502 0.05884 -0.00292 0.02376 115 4XX 0.00589 0.00092 -0.00526 0.00326 -0.00508 116 4YY -0.01022 0.00386 0.00116 -0.00501 0.00065 117 4ZZ 0.00254 -0.00649 0.00691 0.00060 0.00529 118 4XY 0.00098 0.00031 -0.00462 -0.00204 -0.00146 119 4XZ 0.00386 -0.00130 0.00376 -0.00252 -0.00597 120 4YZ -0.00480 -0.00034 0.00531 -0.00372 -0.00252 121 9 C 1S 0.00825 -0.00738 0.02929 0.00216 0.00848 122 2S -0.01947 0.01620 -0.06297 -0.00084 -0.01613 123 2PX -0.03132 -0.10413 0.12102 0.00041 -0.07176 124 2PY 0.06142 -0.02941 0.10886 -0.06510 -0.04385 125 2PZ 0.09078 -0.02182 0.00973 -0.06148 -0.10632 126 3S -0.01612 0.01433 -0.07517 -0.02474 -0.03493 127 3PX -0.01306 -0.05412 0.04550 0.02207 -0.03594 128 3PY 0.01402 -0.00803 0.05309 -0.02966 -0.02041 129 3PZ 0.03853 -0.00601 0.00317 -0.03249 -0.05347 130 4XX 0.00345 -0.00082 -0.00134 0.00391 -0.00168 131 4YY -0.00360 0.00360 0.00390 -0.00244 0.00144 132 4ZZ 0.00304 -0.00422 0.00264 -0.00213 -0.00105 133 4XY -0.00051 -0.00089 -0.00258 -0.00046 -0.00422 134 4XZ -0.00014 0.00085 -0.00117 -0.00250 -0.00135 135 4YZ 0.00285 -0.00035 0.00089 -0.00255 -0.00534 136 10 C 1S -0.00401 -0.00728 -0.00472 0.00216 -0.01030 137 2S 0.00529 0.01759 0.01468 -0.00849 0.02153 138 2PX -0.05306 -0.03059 0.03870 -0.03807 -0.03263 139 2PY 0.02835 0.03493 0.10724 -0.04140 -0.09110 140 2PZ 0.00460 0.09234 0.05116 -0.00785 0.05724 141 3S 0.03278 0.01306 -0.01208 0.00601 0.02713 142 3PX -0.03200 -0.00923 0.03516 -0.02489 -0.01744 143 3PY 0.01689 0.01691 0.04805 -0.02937 -0.04282 144 3PZ 0.01094 0.04156 0.01795 0.00984 0.02619 145 4XX -0.00041 -0.00514 0.00721 0.00184 -0.00002 146 4YY -0.00214 0.00419 -0.00574 0.00120 0.00099 147 4ZZ 0.00115 -0.00076 -0.00480 -0.00398 -0.00208 148 4XY 0.00041 -0.00341 -0.00056 -0.00218 0.00040 149 4XZ 0.00000 -0.00161 -0.00009 0.00348 0.00197 150 4YZ 0.00017 -0.00266 0.00271 0.00319 0.00230 151 11 C 1S 0.00461 0.00931 0.01840 0.00725 0.00062 152 2S -0.00975 -0.01870 -0.03651 -0.01551 -0.00247 153 2PX -0.02335 -0.05352 0.03061 0.10036 0.09973 154 2PY 0.02099 0.07244 -0.12280 0.02394 0.07595 155 2PZ -0.03123 0.02424 0.12416 0.10491 0.12433 156 3S -0.01251 -0.02940 -0.05927 -0.01343 0.00567 157 3PX -0.01123 -0.03288 0.01535 0.03692 0.04542 158 3PY 0.01059 0.03649 -0.05439 0.00960 0.03295 159 3PZ -0.01809 0.00941 0.06128 0.04860 0.05873 160 4XX 0.00040 0.00035 0.00204 0.00262 0.00040 161 4YY -0.00101 -0.00113 -0.00038 -0.00106 -0.00025 162 4ZZ 0.00162 0.00364 -0.00258 -0.00046 0.00194 163 4XY -0.00013 0.00116 0.00174 0.00180 0.00251 164 4XZ -0.00156 -0.00103 -0.00605 0.00029 0.00172 165 4YZ -0.00035 -0.00042 0.00383 0.00639 0.00606 166 12 H 1S 0.01687 0.02120 -0.11694 -0.07052 -0.04883 167 2S 0.00474 0.01689 -0.07413 -0.05475 -0.03501 168 13 H 1S -0.01059 0.02212 0.00583 0.06870 0.09854 169 2S -0.00138 0.02013 0.01079 0.05788 0.07223 170 14 C 1S -0.00932 -0.00356 -0.01936 -0.00837 0.00017 171 2S 0.01803 0.00576 0.04022 0.01740 0.00100 172 2PX 0.00022 0.08365 -0.02921 0.04881 0.08386 173 2PY 0.00350 -0.00183 -0.07460 0.07932 0.08931 174 2PZ -0.08168 -0.06438 0.04222 0.09937 0.10001 175 3S 0.02763 0.02160 0.05119 0.02292 -0.00657 176 3PX -0.00259 0.03105 -0.01510 0.02031 0.03898 177 3PY -0.00093 0.00408 -0.03131 0.03673 0.04032 178 3PZ -0.03260 -0.02208 0.01178 0.04312 0.04488 179 4XX -0.00086 -0.00067 -0.00480 -0.00130 -0.00031 180 4YY 0.00176 0.00352 -0.00263 -0.00032 0.00219 181 4ZZ -0.00031 -0.00091 0.00335 -0.00096 -0.00291 182 4XY 0.00195 0.00139 0.00273 0.00215 0.00069 183 4XZ 0.00041 0.00185 -0.00253 -0.00364 -0.00350 184 4YZ 0.00266 0.00075 0.00033 -0.00295 -0.00336 185 15 H 1S 0.02137 0.04090 -0.02837 0.04386 0.05354 186 2S 0.01324 0.02548 -0.02257 0.02918 0.03845 187 16 H 1S 0.04508 0.02393 0.02167 -0.06879 -0.08422 188 2S 0.02874 0.01816 0.00604 -0.05018 -0.05762 189 17 C 1S 0.01406 -0.00224 0.01766 0.00786 0.00278 190 2S -0.02759 0.00463 -0.03578 -0.01621 -0.00641 191 2PX 0.00258 0.08220 -0.15019 -0.04153 0.02106 192 2PY -0.07572 -0.03533 0.02266 0.09633 0.06551 193 2PZ -0.01681 -0.07847 -0.01725 0.04138 -0.02393 194 3S -0.04710 0.00607 -0.04607 -0.02035 -0.00199 195 3PX 0.00543 0.03652 -0.06619 -0.01977 0.00642 196 3PY -0.02683 -0.02020 0.01127 0.04241 0.02510 197 3PZ -0.01165 -0.03553 -0.00485 0.02017 -0.00904 198 4XX -0.00043 0.00007 0.00014 -0.00247 -0.00124 199 4YY 0.00212 0.00136 -0.00052 0.00290 0.00434 200 4ZZ 0.00013 -0.00023 -0.00106 0.00022 -0.00234 201 4XY 0.00128 -0.00212 0.00195 0.00156 -0.00075 202 4XZ -0.00195 -0.00170 0.00243 0.00248 0.00135 203 4YZ -0.00307 0.00033 -0.00567 -0.00088 0.00086 204 18 C 1S -0.02253 0.00186 -0.01284 -0.00924 -0.00312 205 2S 0.04631 -0.00556 0.02708 0.02005 0.00469 206 2PX 0.08814 -0.00242 0.00433 -0.05497 -0.06027 207 2PY -0.05522 -0.09486 0.06163 -0.00354 -0.08092 208 2PZ 0.00536 -0.05477 -0.01563 0.01245 -0.08002 209 3S 0.06057 0.00755 0.03404 0.01684 0.01551 210 3PX 0.04490 -0.00534 -0.00399 -0.01922 -0.03309 211 3PY -0.01394 -0.04016 0.02328 -0.00525 -0.04167 212 3PZ -0.00091 -0.01854 -0.00706 0.00345 -0.03313 213 4XX -0.00447 0.00185 -0.00699 -0.00028 0.00010 214 4YY -0.00001 -0.00194 0.00365 0.00072 0.00017 215 4ZZ 0.00435 0.00276 -0.00013 -0.00145 0.00072 216 4XY -0.00094 0.00155 -0.00129 -0.00064 0.00148 217 4XZ 0.00272 0.00105 -0.00009 0.00225 0.00347 218 4YZ -0.00092 0.00204 -0.00054 0.00081 0.00398 219 19 H 1S 0.02406 0.05539 -0.00310 0.01048 0.07587 220 2S 0.01256 0.04118 -0.00739 0.00216 0.05099 221 20 H 1S 0.05968 0.00504 -0.01069 0.00133 -0.01752 222 2S 0.03682 -0.00011 -0.00616 -0.00261 -0.01412 223 21 H 1S -0.04063 -0.02754 -0.04383 0.03303 0.01085 224 2S -0.02286 -0.01698 -0.02691 0.02495 0.00939 225 22 H 1S 0.01022 0.06354 -0.08498 -0.06005 -0.00430 226 2S 0.00817 0.03985 -0.05193 -0.03930 -0.00236 227 23 H 1S -0.00057 -0.04455 -0.05595 0.02043 0.01455 228 2S 0.00238 -0.02763 -0.03779 0.01621 0.00776 229 24 H 1S 0.04918 -0.02788 0.03742 -0.05654 -0.07940 230 2S 0.03763 -0.02221 0.03737 -0.04366 -0.04788 231 25 H 1S -0.14184 0.01455 0.06720 -0.04748 0.01060 232 2S -0.09511 0.01413 0.04542 -0.03928 0.01281 233 26 H 1S 0.04390 -0.07795 0.08156 0.00708 0.04454 234 2S 0.03019 -0.05425 0.05684 0.00270 0.03671 235 27 H 1S -0.03340 -0.00238 -0.06576 -0.00966 0.07273 236 2S -0.02819 -0.01449 -0.05546 -0.00517 0.06123 237 28 Br 1S 0.00055 -0.00197 0.00145 -0.00246 -0.00144 238 2S -0.00351 0.01311 -0.00944 0.01616 0.00940 239 3S 0.00391 -0.01572 0.01088 -0.01906 -0.01092 240 4S 0.00793 -0.02742 0.02063 -0.03434 -0.02032 241 5S -0.00189 0.02922 -0.00581 0.02260 0.00903 242 6S -0.01813 0.00909 -0.04714 0.04998 0.04145 243 7PX -0.00123 0.00226 0.00568 -0.00311 -0.01330 244 7PY 0.01194 -0.01355 0.01047 0.00051 0.00219 245 7PZ -0.00132 -0.00497 0.01448 -0.02647 -0.01705 246 8PX 0.00376 -0.00695 -0.01746 0.00958 0.04094 247 8PY -0.03671 0.04166 -0.03224 -0.00154 -0.00673 248 8PZ 0.00404 0.01530 -0.04459 0.08145 0.05248 249 9PX -0.00621 0.01220 0.03162 -0.01798 -0.07495 250 9PY 0.06614 -0.07477 0.05926 0.00197 0.01195 251 9PZ -0.00682 -0.02765 0.08256 -0.14817 -0.09648 252 10PX -0.00876 0.01025 0.02221 -0.00704 -0.04589 253 10PY 0.04396 -0.05280 0.03537 0.00700 0.00864 254 10PZ -0.00554 -0.02035 0.05064 -0.09749 -0.05790 255 11XX -0.00135 0.00578 -0.00124 0.00608 0.00480 256 11YY -0.00428 0.00945 -0.00590 0.00594 0.00175 257 11ZZ 0.00035 0.00627 -0.00763 0.01384 0.00819 258 11XY -0.00040 0.00130 -0.00085 -0.00092 0.00024 259 11XZ -0.00047 -0.00091 -0.00256 0.00205 0.00537 260 11YZ -0.00250 0.00247 -0.00480 0.00137 0.00069 261 12XX 0.00127 0.00728 -0.00412 0.00441 -0.00267 262 12YY 0.00760 -0.00146 0.00790 0.00433 0.00237 263 12ZZ -0.00091 0.00469 0.01404 -0.01472 -0.01069 264 12XY 0.00089 -0.00413 0.00267 0.00235 -0.00016 265 12XZ 0.00082 0.00173 0.00647 -0.00401 -0.01209 266 12YZ 0.00565 -0.00628 0.01286 -0.00433 -0.00269 267 29 C 1S -0.00132 0.00696 0.00096 -0.00319 0.00303 268 2S 0.00462 -0.01133 -0.00271 0.00729 -0.00636 269 2PX 0.07905 0.13214 0.16611 -0.00334 0.06970 270 2PY 0.08492 -0.02188 -0.00486 0.20938 -0.03533 271 2PZ 0.00712 -0.06985 0.01466 -0.11628 0.10566 272 3S -0.00950 -0.02870 0.00267 0.01866 -0.01721 273 3PX 0.04903 0.06468 0.08594 -0.00026 0.03495 274 3PY 0.04371 -0.01201 -0.00883 0.09904 -0.01825 275 3PZ -0.00639 -0.02674 0.00315 -0.05336 0.04187 276 4XX 0.00217 -0.00320 -0.00290 0.00729 -0.00191 277 4YY -0.00002 0.00131 0.00149 -0.00035 0.00198 278 4ZZ -0.00066 0.00162 0.00159 -0.00577 0.00079 279 4XY 0.00186 0.00581 0.00527 0.00617 -0.00054 280 4XZ -0.00179 -0.00147 0.00015 -0.00684 0.00241 281 4YZ -0.00324 -0.00098 -0.00445 0.00426 -0.00597 282 30 H 1S -0.01115 -0.08891 -0.08529 0.04687 -0.03147 283 2S 0.00272 -0.05636 -0.05203 0.03172 -0.01467 284 31 H 1S -0.00229 -0.00762 0.04047 -0.12681 0.07451 285 2S 0.00905 -0.00685 0.02907 -0.10091 0.05978 286 32 H 1S 0.06668 0.05165 0.06499 0.10905 0.00384 287 2S 0.03761 0.03998 0.04357 0.07536 0.01048 288 33 H 1S -0.03613 0.01327 0.05184 0.03228 -0.00303 289 2S -0.02510 0.00350 0.02973 0.03251 -0.00870 290 34 H 1S -0.05563 0.04744 -0.00963 -0.09777 0.05079 291 2S -0.02979 0.03748 -0.01500 -0.06959 0.03609 292 35 H 1S 0.03761 -0.05314 -0.00731 -0.04233 0.07500 293 2S 0.01733 -0.04009 -0.01069 -0.02351 0.05095 294 36 H 1S -0.05992 -0.01984 -0.00991 0.02214 -0.08049 295 2S -0.04263 -0.01309 -0.00811 0.01329 -0.05860 296 37 H 1S -0.03907 0.00362 -0.07204 0.01872 -0.05808 297 2S -0.02777 -0.00012 -0.05209 0.02012 -0.04229 298 38 H 1S -0.11347 -0.01526 0.02860 -0.01513 0.02910 299 2S -0.07344 -0.01363 0.02015 -0.00971 0.02008 300 39 H 1S -0.04576 0.04809 0.06119 0.04945 -0.06000 301 2S -0.03986 0.02464 0.03314 0.03310 -0.04439 302 40 H 1S 0.00334 -0.15867 -0.06035 0.02129 -0.01208 303 2S -0.00278 -0.12250 -0.05015 0.01386 -0.00209 56 57 58 59 60 O O O O O Eigenvalues -- -0.54559 -0.53825 -0.52724 -0.51923 -0.50938 1 1 C 1S -0.00770 -0.00164 -0.00245 -0.00747 -0.01077 2 2S 0.01840 0.00525 0.00686 0.01531 0.02050 3 2PX 0.12382 0.07339 -0.02817 -0.09538 0.06096 4 2PY 0.00919 -0.06596 -0.05329 0.16644 0.07781 5 2PZ -0.08899 -0.01754 -0.02682 0.00215 0.01490 6 3S 0.03669 0.01271 -0.00415 0.03064 0.06353 7 3PX 0.04819 0.01843 -0.01853 -0.04988 0.03752 8 3PY 0.00453 -0.02010 -0.03783 0.08509 0.03895 9 3PZ -0.04841 -0.01047 -0.00188 0.01168 -0.00426 10 4XX 0.00767 0.00856 -0.00014 -0.00522 -0.00325 11 4YY -0.00760 -0.00229 0.00402 -0.00387 -0.00373 12 4ZZ -0.00272 -0.00652 -0.00368 0.00860 0.00535 13 4XY -0.00384 -0.00041 0.00060 0.00052 -0.00172 14 4XZ 0.00046 -0.00410 -0.00095 0.00216 -0.00048 15 4YZ 0.00023 0.00093 -0.00582 0.00402 0.00535 16 2 C 1S -0.00368 0.01083 -0.00207 0.00184 -0.00049 17 2S 0.00574 -0.02291 0.00381 -0.00383 0.00247 18 2PX -0.05211 -0.16062 0.04922 0.02838 0.06185 19 2PY -0.05340 0.06771 0.06506 -0.12182 -0.02577 20 2PZ 0.00802 0.04532 0.04222 0.04747 -0.05958 21 3S 0.01566 -0.03713 0.01552 -0.00168 -0.00463 22 3PX -0.02160 -0.07166 0.03005 0.01500 0.02200 23 3PY -0.01465 0.03649 0.02781 -0.05229 -0.00470 24 3PZ -0.00475 0.01548 0.02774 0.01093 -0.04012 25 4XX 0.00007 0.00506 0.00106 -0.00344 -0.00525 26 4YY 0.00116 0.00220 0.00115 -0.00424 0.00110 27 4ZZ -0.00082 -0.00449 -0.00422 0.00794 0.00424 28 4XY -0.00525 -0.00699 0.00221 -0.00133 0.00032 29 4XZ 0.00298 -0.00270 -0.00031 0.00219 0.00313 30 4YZ 0.00216 -0.00161 -0.00363 -0.00254 0.00048 31 3 C 1S 0.00915 0.00744 -0.01174 0.00197 0.00112 32 2S -0.01910 -0.01598 0.02469 -0.00295 -0.00272 33 2PX -0.03132 -0.14985 -0.01853 0.09758 -0.07623 34 2PY 0.12663 0.16241 -0.04841 0.01989 0.01371 35 2PZ -0.00709 -0.02450 0.08102 -0.14945 -0.08194 36 3S -0.03009 -0.02802 0.03640 -0.01080 0.00035 37 3PX -0.00891 -0.07349 -0.01095 0.04827 -0.02724 38 3PY 0.06437 0.07731 -0.01394 0.00978 0.00803 39 3PZ -0.00476 -0.01043 0.03650 -0.07221 -0.04097 40 4XX -0.00046 -0.00285 -0.00109 0.00193 -0.00208 41 4YY -0.00017 -0.00102 0.00166 -0.00287 0.00111 42 4ZZ 0.00447 0.00849 -0.00247 0.00138 0.00200 43 4XY 0.00269 -0.00043 0.00010 -0.00220 0.00193 44 4XZ 0.00126 0.00221 -0.00181 0.00102 0.00473 45 4YZ 0.00068 0.00025 0.00117 -0.00648 -0.00548 46 4 C 1S 0.00566 0.01082 -0.00145 0.01078 0.01064 47 2S -0.01217 -0.02556 0.00058 -0.01693 -0.02131 48 2PX 0.10468 0.14044 0.00640 -0.10563 0.09351 49 2PY 0.15292 -0.05421 -0.05806 0.13935 0.06563 50 2PZ -0.03262 -0.06505 0.05688 -0.05101 0.03005 51 3S -0.02197 -0.02732 0.02250 -0.07028 -0.03652 52 3PX 0.04399 0.04452 0.01119 -0.05504 0.04711 53 3PY 0.07107 -0.02595 -0.03704 0.06949 0.03469 54 3PZ -0.01408 -0.03286 0.03354 -0.02996 0.00659 55 4XX -0.00015 -0.00685 0.00049 0.00329 0.00254 56 4YY 0.00710 0.00734 -0.00295 0.00235 0.00189 57 4ZZ -0.00472 0.00226 0.00103 -0.00374 -0.00219 58 4XY 0.00466 -0.00145 -0.00134 0.00369 0.00269 59 4XZ -0.00074 0.00184 -0.00018 -0.00143 0.00398 60 4YZ -0.00191 -0.00054 -0.00164 -0.00058 -0.00472 61 5 C 1S 0.01294 -0.00054 -0.01156 0.00752 -0.01694 62 2S -0.02573 0.00304 0.02285 -0.01561 0.03951 63 2PX 0.05094 -0.08336 -0.03040 -0.03752 0.05979 64 2PY -0.02766 -0.08364 0.05922 -0.11233 0.07669 65 2PZ 0.00479 -0.09923 -0.00497 0.13234 0.00415 66 3S -0.05679 -0.00184 0.04751 -0.02229 0.04317 67 3PX 0.01983 -0.03212 0.01362 -0.00361 0.03387 68 3PY 0.00708 -0.02506 0.00524 -0.01503 0.04251 69 3PZ -0.00716 -0.05596 0.00713 0.03264 -0.00381 70 4XX 0.00104 0.00115 -0.00490 -0.00195 -0.00382 71 4YY 0.00263 0.00189 -0.00231 0.01067 -0.00241 72 4ZZ -0.00116 -0.00373 0.00452 -0.00734 0.00427 73 4XY 0.00200 0.00866 0.00333 0.00808 -0.00448 74 4XZ -0.00470 0.00107 0.00544 -0.00241 -0.00099 75 4YZ 0.00007 -0.00177 -0.00094 0.00314 0.00353 76 6 C 1S -0.02346 -0.02344 0.00082 -0.01196 0.02994 77 2S 0.05167 0.04815 -0.00045 0.02526 -0.07055 78 2PX -0.11117 -0.08860 0.01238 0.16430 -0.09558 79 2PY 0.07291 0.14469 -0.01658 0.07096 -0.00210 80 2PZ 0.00181 -0.12744 0.05502 -0.06506 -0.04306 81 3S 0.10677 0.11252 -0.01230 0.06895 -0.10748 82 3PX -0.01324 -0.02025 -0.00421 0.07543 -0.01501 83 3PY 0.01122 0.02206 0.01376 0.04006 0.00918 84 3PZ 0.00661 -0.06443 0.02547 -0.04118 -0.02648 85 4XX 0.00741 0.00343 0.00040 -0.00314 0.00151 86 4YY -0.00871 -0.00764 -0.00163 0.00334 0.00545 87 4ZZ -0.00316 0.00042 -0.00021 -0.00150 0.00138 88 4XY -0.00353 0.00389 0.00042 0.00116 -0.00105 89 4XZ 0.00051 -0.00544 0.00314 -0.00176 -0.00119 90 4YZ 0.00123 -0.00084 -0.00789 0.00109 0.01117 91 7 C 1S -0.00730 0.00438 -0.00898 0.00487 0.00583 92 2S 0.01986 -0.00827 0.02195 -0.01375 -0.01578 93 2PX 0.14527 0.08273 0.00705 -0.11547 -0.00948 94 2PY -0.04447 -0.13714 0.05282 -0.03425 -0.07414 95 2PZ 0.03557 0.04924 0.06376 0.01300 -0.09353 96 3S 0.00070 -0.05246 0.03269 -0.00541 -0.00930 97 3PX 0.07988 0.02808 -0.01205 -0.03072 -0.02099 98 3PY -0.03759 -0.07199 0.03381 -0.01807 -0.02920 99 3PZ 0.02577 0.02345 0.03522 0.00216 -0.04962 100 4XX 0.00231 0.00437 0.00161 -0.00603 0.00119 101 4YY -0.00215 -0.00513 0.00221 0.00402 -0.00862 102 4ZZ -0.00315 0.00133 -0.00761 0.00553 0.01333 103 4XY -0.00410 0.00527 -0.00012 0.00672 0.00698 104 4XZ -0.00134 -0.00208 -0.00660 -0.00110 0.00917 105 4YZ 0.00156 -0.00087 -0.00007 -0.00519 0.00401 106 8 C 1S 0.00871 0.00115 -0.00503 0.00924 -0.00600 107 2S -0.01524 -0.00135 0.00879 -0.01830 0.01311 108 2PX -0.15040 -0.08167 0.02314 0.08885 0.02293 109 2PY -0.04523 0.06965 0.04572 -0.03011 0.17488 110 2PZ -0.02526 -0.01598 -0.10625 0.09077 0.12616 111 3S -0.04237 0.00029 0.03390 -0.04750 0.02886 112 3PX -0.05181 -0.04578 0.00910 0.04082 0.00144 113 3PY -0.02518 0.03411 0.02405 -0.02290 0.09806 114 3PZ -0.01524 -0.00903 -0.06249 0.05056 0.06562 115 4XX 0.00701 0.00448 0.00477 -0.00390 -0.00134 116 4YY -0.00277 -0.00351 -0.00003 -0.00030 -0.01113 117 4ZZ -0.00387 -0.00209 -0.00653 0.00698 0.01052 118 4XY -0.00212 0.00470 0.00020 0.00179 0.00548 119 4XZ 0.00259 0.00033 -0.00336 -0.00213 0.00147 120 4YZ 0.00192 -0.00202 -0.00005 -0.00137 -0.00651 121 9 C 1S 0.01218 -0.02343 -0.01079 -0.00672 0.00605 122 2S -0.02638 0.04647 0.02707 0.01579 -0.01110 123 2PX 0.09022 -0.01833 0.04758 0.02922 -0.04806 124 2PY 0.05105 0.02897 -0.14374 -0.02364 -0.10115 125 2PZ -0.00927 0.00667 -0.01858 -0.01911 0.00687 126 3S -0.03546 0.08583 0.01357 0.00953 -0.03256 127 3PX 0.04011 -0.00781 0.01253 0.01280 -0.02282 128 3PY 0.01850 0.01205 -0.04733 -0.02698 -0.04630 129 3PZ -0.00034 -0.00571 -0.01344 0.00067 -0.00360 130 4XX 0.00670 -0.00075 0.00390 -0.00132 0.00325 131 4YY -0.00263 -0.00379 -0.00415 -0.00226 -0.00591 132 4ZZ -0.00130 0.00166 -0.00300 0.00228 0.00214 133 4XY -0.00367 0.00256 0.00441 -0.00066 0.00190 134 4XZ 0.00513 -0.00195 -0.00488 0.00009 -0.00715 135 4YZ 0.00214 0.00459 0.00161 -0.00131 -0.00172 136 10 C 1S -0.01675 0.02918 0.03568 0.00539 0.01250 137 2S 0.03286 -0.06054 -0.07181 -0.01356 -0.02885 138 2PX -0.04876 -0.01581 -0.01707 -0.00051 -0.09525 139 2PY -0.03587 -0.03894 -0.03240 -0.08685 -0.04674 140 2PZ -0.03713 0.03312 -0.11863 -0.04047 -0.05153 141 3S 0.06193 -0.09814 -0.13729 -0.01446 -0.02489 142 3PX -0.03229 -0.01278 0.00966 0.00251 -0.03412 143 3PY -0.01853 -0.01045 -0.02483 -0.06394 -0.03118 144 3PZ -0.01381 0.00945 -0.06919 -0.00095 -0.03498 145 4XX -0.00074 0.00228 -0.00026 -0.00218 0.00020 146 4YY -0.00322 0.00113 0.00379 -0.00028 0.00180 147 4ZZ 0.00203 -0.00008 0.00290 0.00405 0.00112 148 4XY -0.00087 -0.00138 -0.00235 0.00229 -0.00315 149 4XZ 0.00210 0.00340 -0.00196 -0.00145 -0.00171 150 4YZ 0.00495 -0.00413 0.00138 0.00256 0.00413 151 11 C 1S 0.02443 -0.00394 -0.00488 -0.00033 0.00162 152 2S -0.04955 0.00726 0.01163 -0.00127 -0.00117 153 2PX 0.04101 -0.00403 -0.00630 -0.00777 0.08058 154 2PY -0.01956 0.09482 -0.00872 0.03796 0.03485 155 2PZ -0.03014 -0.01118 -0.15507 -0.07293 -0.03753 156 3S -0.07357 0.01110 0.00337 0.01178 -0.01568 157 3PX 0.01813 -0.00857 -0.02139 -0.01581 0.03119 158 3PY -0.01472 0.03896 -0.00541 0.01074 0.02303 159 3PZ -0.01013 0.00260 -0.06543 -0.03618 -0.01057 160 4XX 0.00573 -0.00441 -0.00007 -0.00310 0.00406 161 4YY -0.00177 0.00125 0.00093 0.00202 -0.00093 162 4ZZ -0.00189 0.00384 -0.00242 0.00104 -0.00249 163 4XY 0.00099 -0.00380 -0.00676 -0.00254 -0.00400 164 4XZ -0.00221 0.00388 0.00372 0.00210 0.00386 165 4YZ -0.00083 0.00052 -0.00370 -0.00120 0.00129 166 12 H 1S -0.02200 0.04907 0.07144 0.04869 0.01197 167 2S -0.00203 0.04418 0.05446 0.03667 0.01309 168 13 H 1S -0.03471 0.03636 -0.06813 -0.01270 0.00087 169 2S -0.01251 0.02873 -0.04379 0.00373 -0.00612 170 14 C 1S -0.01813 0.00962 0.00840 0.00830 -0.00189 171 2S 0.03692 -0.02031 -0.01747 -0.01713 0.00497 172 2PX 0.03568 -0.00704 -0.09924 -0.03084 -0.01479 173 2PY 0.13208 -0.06565 -0.05310 -0.01959 0.03324 174 2PZ -0.00727 -0.01829 0.03679 -0.03356 0.14056 175 3S 0.05076 -0.02413 -0.01659 -0.02450 0.00692 176 3PX 0.01663 -0.00990 -0.05210 -0.01719 -0.01279 177 3PY 0.06047 -0.02913 -0.01653 -0.00958 0.02024 178 3PZ -0.00354 -0.00896 0.01639 -0.01572 0.06906 179 4XX 0.00058 -0.00247 0.00084 0.00051 -0.00086 180 4YY -0.00194 0.00360 -0.00295 0.00043 0.00004 181 4ZZ -0.00033 0.00021 0.00164 0.00039 -0.00200 182 4XY 0.00719 -0.00365 -0.00478 -0.00190 -0.00254 183 4XZ -0.00177 0.00136 0.00328 0.00213 -0.00133 184 4YZ -0.00144 0.00066 -0.00092 0.00121 -0.00535 185 15 H 1S 0.08713 -0.03699 -0.07550 -0.02376 -0.01111 186 2S 0.05726 -0.02340 -0.05528 -0.01456 -0.00847 187 16 H 1S -0.02341 0.02096 0.00277 0.02029 -0.07883 188 2S -0.02219 0.01743 0.00417 0.01835 -0.05785 189 17 C 1S 0.01882 -0.00750 -0.01814 -0.00736 -0.00709 190 2S -0.03930 0.01699 0.03631 0.01435 0.01567 191 2PX -0.02037 -0.02866 -0.06126 0.02300 -0.11426 192 2PY 0.08979 -0.07565 0.04872 -0.02036 0.07345 193 2PZ 0.16000 -0.08615 0.07097 0.01092 0.02698 194 3S -0.05187 0.01334 0.06002 0.02323 0.01726 195 3PX -0.01111 -0.00919 -0.02436 0.01125 -0.04693 196 3PY 0.04442 -0.02964 0.02051 -0.00712 0.03486 197 3PZ 0.06980 -0.04310 0.02995 0.00351 0.01157 198 4XX -0.00558 0.00370 0.00081 0.00154 -0.00180 199 4YY 0.00298 -0.00211 -0.00485 -0.00263 0.00234 200 4ZZ 0.00597 -0.00383 0.00101 0.00045 -0.00301 201 4XY 0.00467 -0.00047 0.00232 -0.00015 0.00362 202 4XZ 0.00118 -0.00183 0.00334 -0.00076 0.00475 203 4YZ -0.00206 -0.00007 0.00337 0.00213 -0.00007 204 18 C 1S -0.01778 0.00141 0.00752 0.00699 -0.01080 205 2S 0.03725 -0.00168 -0.01508 -0.01357 0.02216 206 2PX 0.04186 -0.02845 -0.08079 -0.02497 -0.04541 207 2PY 0.01803 0.04812 0.13142 0.04656 0.02619 208 2PZ 0.19223 -0.13172 0.00750 0.00718 -0.11143 209 3S 0.04818 -0.00821 -0.01645 -0.02424 0.03756 210 3PX 0.02510 -0.00315 -0.04335 -0.00886 -0.02497 211 3PY 0.01206 0.02278 0.06050 0.02497 0.01565 212 3PZ 0.09074 -0.06344 0.00885 0.00116 -0.05402 213 4XX -0.00220 0.00062 0.00463 0.00295 -0.00232 214 4YY 0.00199 -0.00072 -0.00126 -0.00130 0.00122 215 4ZZ -0.00230 0.00015 -0.00549 -0.00173 -0.00034 216 4XY -0.00550 0.00231 0.00251 -0.00005 0.00472 217 4XZ 0.00485 -0.00382 -0.00493 -0.00228 0.00012 218 4YZ -0.00548 0.00522 0.00039 -0.00002 0.00453 219 19 H 1S -0.08203 0.04534 -0.04759 -0.02368 0.05871 220 2S -0.06134 0.03442 -0.03280 -0.01457 0.03959 221 20 H 1S 0.10248 -0.08381 -0.07300 -0.02555 -0.06221 222 2S 0.07041 -0.06554 -0.05756 -0.01606 -0.05293 223 21 H 1S 0.07949 -0.06094 0.05304 0.00995 0.02066 224 2S 0.06136 -0.04453 0.03173 0.00436 0.01204 225 22 H 1S -0.08769 0.03397 -0.04205 0.02129 -0.07698 226 2S -0.05717 0.02235 -0.03705 0.01403 -0.06288 227 23 H 1S 0.05214 -0.02551 0.04033 0.04803 0.04173 228 2S 0.03111 -0.00556 0.04051 0.04168 0.02464 229 24 H 1S 0.01809 0.03312 -0.03623 -0.00931 -0.04567 230 2S 0.02044 0.02122 -0.02286 -0.00879 -0.02824 231 25 H 1S -0.00321 -0.05470 0.00210 0.00080 -0.12914 232 2S -0.00470 -0.04575 -0.00481 -0.00179 -0.10729 233 26 H 1S -0.03321 -0.02027 -0.06725 0.06048 0.09024 234 2S -0.02334 -0.01654 -0.05303 0.04993 0.08061 235 27 H 1S -0.02568 0.03475 0.01530 0.06355 -0.01340 236 2S -0.02713 0.03007 0.01154 0.06005 -0.01837 237 28 Br 1S -0.00041 0.00083 -0.00155 0.00052 0.00198 238 2S 0.00278 -0.00547 0.01026 -0.00338 -0.01305 239 3S -0.00332 0.00644 -0.01214 0.00393 0.01535 240 4S -0.00601 0.01151 -0.02196 0.00733 0.02824 241 5S -0.00151 -0.01247 0.01360 -0.00270 -0.02127 242 6S 0.02341 -0.00443 0.03426 -0.01595 -0.03463 243 7PX 0.00684 0.00027 -0.00115 0.00490 0.00790 244 7PY -0.00129 0.00710 -0.00942 0.00490 0.01218 245 7PZ -0.01163 -0.00092 -0.02183 0.00480 0.03921 246 8PX -0.02103 -0.00083 0.00354 -0.01509 -0.02435 247 8PY 0.00401 -0.02184 0.02899 -0.01509 -0.03750 248 8PZ 0.03580 0.00287 0.06723 -0.01478 -0.12084 249 9PX 0.03773 0.00131 -0.00719 0.02776 0.04499 250 9PY -0.00816 0.03914 -0.05282 0.02776 0.06816 251 9PZ -0.06589 -0.00607 -0.12390 0.02762 0.22313 252 10PX 0.02929 0.00349 0.00012 0.01893 0.03111 253 10PY -0.00206 0.02750 -0.03809 0.01885 0.05682 254 10PZ -0.03956 -0.00221 -0.08297 0.01625 0.15907 255 11XX -0.00122 -0.00266 0.00268 0.00006 -0.00409 256 11YY 0.00062 -0.00531 0.00531 -0.00255 -0.00430 257 11ZZ 0.00524 -0.00070 0.00860 -0.00283 -0.01256 258 11XY 0.00033 0.00045 -0.00019 -0.00210 -0.00108 259 11XZ -0.00153 0.00021 0.00174 0.00007 -0.00186 260 11YZ 0.00176 0.00129 0.00237 0.00006 -0.00277 261 12XX 0.00386 -0.00182 0.00567 -0.00282 -0.00610 262 12YY -0.00183 0.00240 -0.00193 0.00318 -0.00370 263 12ZZ -0.01114 -0.00694 -0.01103 0.00435 0.01949 264 12XY -0.00059 -0.00041 0.00047 0.00529 0.00318 265 12XZ 0.00396 0.00015 -0.00377 -0.00042 0.00530 266 12YZ -0.00461 -0.00432 -0.00744 0.00040 0.01142 267 29 C 1S 0.00027 0.00062 -0.00623 -0.00377 -0.00385 268 2S -0.00100 -0.00212 0.01566 0.00950 0.00696 269 2PX 0.05505 0.06560 0.24988 0.12135 -0.02250 270 2PY 0.02681 0.13744 -0.09897 0.15983 -0.13293 271 2PZ -0.00010 0.03905 -0.00938 -0.16232 0.00525 272 3S 0.00503 -0.00185 0.01843 0.01308 0.01757 273 3PX 0.02552 0.03514 0.11909 0.05930 -0.02513 274 3PY 0.01558 0.06235 -0.02998 0.08340 -0.06895 275 3PZ -0.00049 0.01521 -0.00239 -0.07127 0.00579 276 4XX -0.00036 0.00441 -0.00940 0.00294 -0.00557 277 4YY 0.00167 0.00198 0.00278 0.00684 -0.00277 278 4ZZ -0.00118 -0.00443 0.00727 -0.00983 0.00675 279 4XY 0.00257 0.00504 0.01081 0.01448 -0.00413 280 4XZ -0.00086 -0.00190 0.00707 -0.00397 0.00300 281 4YZ -0.00184 -0.00315 -0.00740 0.00414 0.00007 282 30 H 1S -0.02186 0.00751 -0.17073 -0.04421 -0.02422 283 2S -0.01675 0.00633 -0.14779 -0.04218 -0.02911 284 31 H 1S 0.00122 -0.01410 0.08945 -0.11844 0.05042 285 2S -0.00317 -0.01164 0.07330 -0.10769 0.04526 286 32 H 1S 0.03531 0.08949 0.06930 0.15810 -0.07262 287 2S 0.02305 0.07433 0.03772 0.12437 -0.05902 288 33 H 1S -0.03486 0.04519 -0.00871 -0.03180 -0.04819 289 2S -0.02119 0.03448 -0.00603 -0.01699 -0.04079 290 34 H 1S 0.11085 0.02006 -0.02985 0.04192 0.05290 291 2S 0.08405 0.02940 -0.02052 0.04964 0.03926 292 35 H 1S 0.04054 0.05487 0.01860 -0.06715 -0.03398 293 2S 0.03043 0.04373 -0.00240 -0.05043 -0.02987 294 36 H 1S 0.03575 0.08420 -0.03934 0.05932 0.06624 295 2S 0.02674 0.06335 -0.03412 0.04645 0.05404 296 37 H 1S 0.02183 -0.04839 -0.04902 0.01883 0.03717 297 2S 0.01329 -0.03349 -0.03836 0.01132 0.02376 298 38 H 1S 0.02417 0.10123 -0.00794 -0.03347 -0.05349 299 2S 0.01747 0.08129 -0.00473 -0.02656 -0.04618 300 39 H 1S -0.04278 -0.03791 -0.04380 0.07079 0.05239 301 2S -0.03747 -0.03581 -0.05098 0.04197 0.04806 302 40 H 1S -0.05525 0.01162 0.04045 -0.05096 -0.05367 303 2S -0.05191 0.00909 0.03019 -0.04121 -0.05143 61 62 63 64 65 O O O O O Eigenvalues -- -0.50148 -0.49516 -0.48979 -0.48534 -0.47438 1 1 C 1S -0.01206 -0.01093 0.00203 0.01067 0.00790 2 2S 0.02435 0.02613 -0.00499 -0.02714 -0.01881 3 2PX -0.05239 -0.01524 -0.00292 0.06303 -0.00591 4 2PY 0.09348 0.01916 -0.07918 -0.02268 0.10332 5 2PZ -0.09172 -0.17148 -0.00963 0.10356 0.09304 6 3S 0.05489 0.03423 -0.00207 -0.02002 -0.03989 7 3PX -0.00282 -0.02230 -0.00286 0.05827 -0.00576 8 3PY 0.03524 0.01946 -0.03043 -0.01738 0.05651 9 3PZ -0.05714 -0.10699 -0.00787 0.05623 0.04259 10 4XX -0.00734 0.00234 0.00038 -0.00037 -0.00510 11 4YY -0.00152 0.00131 0.00605 -0.00037 -0.00258 12 4ZZ 0.00578 -0.00738 -0.00597 0.00248 0.00800 13 4XY -0.00068 -0.00440 0.00001 0.00039 -0.00212 14 4XZ 0.00200 -0.00032 -0.00266 -0.00049 -0.00081 15 4YZ -0.00122 -0.00708 -0.00473 0.00401 0.01093 16 2 C 1S -0.00228 0.00100 -0.00473 -0.00573 0.01252 17 2S 0.00626 0.00411 0.01402 0.00796 -0.02707 18 2PX 0.18726 0.01944 0.02981 -0.00834 -0.05436 19 2PY -0.09940 0.04743 0.14997 0.02588 -0.02553 20 2PZ 0.01064 0.20037 0.04382 -0.12062 -0.02017 21 3S 0.00241 -0.03386 -0.00163 0.03670 -0.04940 22 3PX 0.08844 0.00025 0.00798 0.00094 -0.01551 23 3PY -0.03745 0.03996 0.07116 0.00582 -0.01196 24 3PZ 0.00647 0.08987 0.02444 -0.04728 -0.00493 25 4XX -0.01261 0.00386 0.00462 -0.00019 -0.00005 26 4YY 0.00496 -0.00066 0.00001 0.00010 -0.00132 27 4ZZ 0.00506 -0.00459 -0.00629 -0.00022 0.00386 28 4XY 0.00187 -0.00546 0.00167 0.00401 -0.00161 29 4XZ 0.00751 -0.00013 -0.00376 -0.00037 -0.00044 30 4YZ -0.00218 -0.01166 -0.00523 0.00869 0.00370 31 3 C 1S -0.00316 0.00442 -0.00345 0.00132 0.00407 32 2S 0.00358 -0.00926 0.00826 0.00028 -0.00785 33 2PX -0.08417 -0.07064 -0.04716 0.03864 0.00671 34 2PY 0.04902 0.02342 -0.12335 -0.04821 0.05927 35 2PZ 0.02015 -0.05329 0.03334 0.10313 -0.03066 36 3S 0.02138 -0.01864 0.01336 -0.01892 -0.02531 37 3PX -0.01809 -0.03146 -0.02425 0.01552 -0.00904 38 3PY 0.02055 0.00674 -0.06543 -0.01931 0.03263 39 3PZ 0.00236 -0.02507 0.01635 0.04452 -0.01721 40 4XX -0.01006 -0.00384 0.00143 0.00254 0.00006 41 4YY 0.00550 -0.00108 -0.00059 0.00147 -0.00079 42 4ZZ 0.00524 0.00623 -0.00303 -0.00456 0.00213 43 4XY 0.00154 -0.00267 0.00271 0.00457 -0.00231 44 4XZ 0.00078 -0.00432 -0.00493 -0.00217 0.00308 45 4YZ 0.00033 -0.00549 -0.00212 0.00684 0.00035 46 4 C 1S 0.02364 0.00485 -0.00241 -0.00867 -0.00118 47 2S -0.04974 -0.01411 0.00295 0.01579 0.00154 48 2PX 0.09746 -0.00003 -0.01657 0.00030 0.00744 49 2PY 0.01187 -0.07078 -0.03122 0.05399 -0.02551 50 2PZ -0.10454 -0.19533 -0.06917 0.02388 0.05610 51 3S -0.08857 0.00226 0.02012 0.04688 0.01810 52 3PX 0.05995 -0.00134 -0.00052 -0.00179 -0.01212 53 3PY -0.00488 -0.03307 -0.01836 0.02511 -0.01461 54 3PZ -0.05029 -0.09897 -0.03167 0.02797 0.03636 55 4XX 0.00120 -0.00437 -0.00040 0.00118 -0.00115 56 4YY 0.00401 -0.00160 -0.00392 0.00219 0.00037 57 4ZZ -0.00046 0.00871 0.00460 -0.00438 0.00065 58 4XY 0.00083 -0.00018 0.00387 0.00216 -0.00204 59 4XZ 0.00014 0.00115 -0.00106 -0.00326 0.00265 60 4YZ 0.00310 0.00942 0.00481 -0.00071 -0.00224 61 5 C 1S -0.00933 -0.00362 0.00241 -0.00170 -0.00392 62 2S 0.02120 0.00187 -0.00683 0.00184 0.01333 63 2PX 0.15377 0.06302 0.03251 0.07311 -0.02586 64 2PY -0.08138 0.01998 0.05645 -0.09615 0.07653 65 2PZ -0.04120 0.12664 0.10792 -0.06481 -0.01237 66 3S 0.02320 0.05071 0.00419 0.01352 -0.00888 67 3PX 0.08127 0.02549 0.00104 0.02896 0.00434 68 3PY -0.02624 -0.01004 0.01241 -0.06866 0.04368 69 3PZ -0.01945 0.08128 0.07284 -0.01074 -0.00236 70 4XX -0.00067 -0.00174 -0.00302 0.00247 0.00068 71 4YY 0.00001 -0.00335 0.00031 0.00417 -0.00168 72 4ZZ -0.00120 0.00421 0.00360 -0.00706 0.00103 73 4XY -0.00159 0.00178 -0.00307 -0.00654 -0.00011 74 4XZ -0.00632 -0.00185 0.00228 0.00185 0.00658 75 4YZ 0.00007 0.00570 0.00443 -0.00198 0.00147 76 6 C 1S 0.00576 0.00313 0.00320 0.00167 0.01780 77 2S -0.01431 -0.00481 -0.00858 -0.00192 -0.06148 78 2PX 0.07236 -0.04567 -0.03332 -0.02360 -0.01616 79 2PY -0.06530 0.00870 -0.05521 -0.00278 -0.03669 80 2PZ 0.01620 -0.00122 0.01312 0.00589 -0.10085 81 3S -0.00488 -0.03989 -0.01832 -0.04980 0.01743 82 3PX 0.05976 -0.04240 -0.02334 0.00889 -0.01130 83 3PY -0.03678 -0.00575 -0.04932 -0.02213 -0.04235 84 3PZ -0.00023 0.00613 0.00357 0.00301 -0.08336 85 4XX 0.00319 0.00405 0.00099 0.00179 -0.00784 86 4YY -0.00291 0.00082 0.00190 -0.00523 0.00492 87 4ZZ 0.00108 -0.00498 -0.00182 0.00135 0.00826 88 4XY -0.00349 0.00240 0.00250 0.00280 -0.00007 89 4XZ 0.00334 0.00756 0.00245 -0.00656 0.00114 90 4YZ -0.00310 0.00194 0.00544 -0.00095 0.00922 91 7 C 1S -0.01076 0.00217 0.01143 0.01958 -0.00594 92 2S 0.03039 -0.00895 -0.02194 -0.04884 0.02462 93 2PX -0.01643 -0.02738 0.02147 -0.08006 0.02425 94 2PY 0.06008 -0.01198 0.02023 -0.03152 -0.02836 95 2PZ 0.06090 0.00445 -0.03503 0.00777 0.05379 96 3S 0.01434 0.00418 -0.07400 -0.08539 -0.02764 97 3PX 0.00345 -0.02543 0.00200 -0.05029 0.01322 98 3PY 0.01397 0.00141 0.01217 -0.00600 -0.00895 99 3PZ 0.04922 -0.01828 -0.01512 -0.01581 0.05520 100 4XX -0.00067 0.00380 -0.00145 0.00264 0.00631 101 4YY 0.00393 -0.00134 -0.00077 0.00146 -0.00687 102 4ZZ -0.00687 -0.00231 0.00338 -0.00234 -0.00051 103 4XY -0.00216 0.00576 -0.00686 0.00179 0.00175 104 4XZ -0.00436 0.00091 0.00784 -0.00337 0.00185 105 4YZ -0.00463 0.00123 0.00015 -0.00026 -0.00927 106 8 C 1S 0.00232 -0.01554 0.00562 -0.01180 -0.00976 107 2S -0.00456 0.03253 -0.01518 0.02284 0.02239 108 2PX 0.00821 0.05629 -0.07774 0.07550 -0.04115 109 2PY -0.08021 0.11837 -0.12560 -0.02635 0.00297 110 2PZ -0.06189 -0.04639 0.12735 -0.05182 -0.05585 111 3S -0.00698 0.06958 -0.01808 0.05861 0.04502 112 3PX 0.01384 0.02521 -0.06732 0.01056 -0.01381 113 3PY -0.04637 0.06707 -0.07495 -0.01706 -0.01218 114 3PZ -0.03645 -0.01363 0.06898 -0.02485 -0.02390 115 4XX 0.00272 -0.00105 -0.00565 -0.00950 0.00312 116 4YY 0.00396 -0.00059 -0.00112 0.00983 0.00021 117 4ZZ -0.00532 -0.00199 0.00936 -0.00139 -0.00342 118 4XY -0.00274 0.00176 -0.00443 0.00001 -0.00119 119 4XZ -0.00268 -0.00171 0.00145 0.00036 -0.00322 120 4YZ 0.00288 -0.00410 -0.00041 -0.00053 -0.00195 121 9 C 1S -0.00799 0.00682 -0.01015 0.00812 -0.00895 122 2S 0.01665 -0.01227 0.01586 -0.01891 0.01932 123 2PX 0.10623 -0.14340 0.04863 -0.18185 -0.03452 124 2PY -0.03755 -0.08004 0.14830 0.07001 -0.01434 125 2PZ -0.00882 -0.00228 -0.15773 0.00838 -0.09370 126 3S 0.03452 -0.02634 0.07466 -0.01454 0.04058 127 3PX 0.03624 -0.05962 0.00529 -0.08146 -0.02234 128 3PY 0.00630 -0.02457 0.04597 0.03645 0.00101 129 3PZ -0.00420 -0.00270 -0.07951 0.01096 -0.05229 130 4XX 0.00357 0.00300 -0.00017 0.00406 0.00072 131 4YY -0.00003 0.00219 -0.00496 -0.00027 0.00157 132 4ZZ -0.00516 -0.00524 0.00325 -0.00244 -0.00444 133 4XY -0.00131 0.00214 -0.00661 0.00281 -0.00149 134 4XZ -0.00263 -0.00143 0.00180 0.00425 -0.00067 135 4YZ 0.00404 -0.00872 -0.00004 -0.00420 -0.00469 136 10 C 1S 0.00992 -0.00472 -0.00434 -0.00005 0.00076 137 2S -0.01642 0.01214 0.00813 -0.00089 0.00148 138 2PX -0.12539 0.03225 0.01746 -0.13225 0.09149 139 2PY 0.10974 0.03455 -0.13193 -0.11120 0.01498 140 2PZ 0.06796 0.04834 0.10732 0.14498 0.06669 141 3S -0.05435 0.00569 0.02612 0.00351 -0.01174 142 3PX -0.05859 0.01781 0.01301 -0.05951 0.03943 143 3PY 0.04838 0.01884 -0.03182 -0.05924 0.01460 144 3PZ 0.01222 0.01480 0.03396 0.06365 0.02125 145 4XX 0.00664 -0.00019 -0.00476 0.00319 0.00042 146 4YY -0.00056 -0.00095 0.00078 -0.00546 0.00163 147 4ZZ -0.00588 -0.00055 0.00356 0.00178 -0.00277 148 4XY -0.00612 0.00124 -0.00791 -0.00290 -0.00158 149 4XZ -0.00293 -0.00746 0.00320 -0.00247 -0.00115 150 4YZ -0.00352 -0.00392 -0.00276 -0.00318 -0.00597 151 11 C 1S 0.00817 -0.01041 0.01404 -0.00036 -0.00596 152 2S -0.01898 0.02495 -0.02776 0.00221 0.01418 153 2PX -0.07785 0.05567 -0.01204 0.18188 -0.01121 154 2PY 0.08416 -0.12674 0.13152 0.04045 -0.05910 155 2PZ -0.03454 -0.02415 -0.14771 -0.07835 -0.03213 156 3S -0.01825 0.02193 -0.06790 -0.00619 0.01720 157 3PX -0.03925 0.01990 0.00845 0.07363 0.00070 158 3PY 0.03563 -0.05912 0.07134 0.01651 -0.02671 159 3PZ -0.00226 -0.01414 -0.06344 -0.03015 -0.01668 160 4XX 0.00184 0.00195 -0.00186 -0.00103 -0.00097 161 4YY -0.00153 -0.00128 0.00040 -0.00153 -0.00024 162 4ZZ 0.00161 -0.00390 0.00503 0.00257 -0.00030 163 4XY -0.00404 -0.00173 -0.00293 -0.00833 -0.00012 164 4XZ 0.00276 -0.00452 0.00187 -0.00174 -0.00372 165 4YZ -0.00440 0.00021 -0.01005 0.00274 -0.00352 166 12 H 1S 0.06614 -0.04222 0.11314 0.00640 0.00024 167 2S 0.06468 -0.03673 0.11086 0.01018 -0.00248 168 13 H 1S -0.01310 -0.04532 -0.04429 0.00522 -0.03896 169 2S -0.02158 -0.04265 -0.04007 0.00524 -0.03922 170 14 C 1S -0.00200 -0.00891 0.01362 -0.00816 0.00226 171 2S 0.00479 0.01774 -0.02911 0.01593 -0.00556 172 2PX 0.04846 -0.12566 0.05497 -0.19980 -0.04216 173 2PY -0.08011 -0.01633 0.16248 0.00748 0.03016 174 2PZ 0.00562 0.04438 -0.09791 -0.00087 -0.04819 175 3S 0.00277 0.03599 -0.04662 0.03371 -0.00638 176 3PX 0.01305 -0.05422 0.01286 -0.09639 -0.01880 177 3PY -0.02670 -0.00832 0.07670 0.00605 0.00939 178 3PZ -0.00300 0.02420 -0.05227 -0.00149 -0.02593 179 4XX -0.00473 0.00150 0.00215 -0.00426 0.00293 180 4YY 0.00196 -0.00568 0.00574 -0.00014 -0.00233 181 4ZZ 0.00262 0.00141 -0.00400 0.00213 0.00013 182 4XY -0.00043 -0.00306 0.00539 -0.00526 0.00072 183 4XZ 0.00348 -0.00078 -0.00087 -0.00190 -0.00011 184 4YZ -0.00282 0.00223 -0.00318 0.00442 0.00214 185 15 H 1S -0.01560 -0.05816 0.10213 -0.07210 0.00198 186 2S -0.01347 -0.05063 0.08998 -0.06302 0.00329 187 16 H 1S 0.01647 0.00599 -0.02258 0.03271 0.01827 188 2S 0.00987 0.00147 -0.01795 0.02205 0.01184 189 17 C 1S -0.00959 -0.00191 0.00186 -0.00649 0.00246 190 2S 0.02007 0.00320 -0.00560 0.01303 -0.00718 191 2PX -0.11735 -0.01481 0.01895 -0.14093 0.07605 192 2PY 0.03992 0.02363 -0.07059 -0.12310 -0.00668 193 2PZ -0.02197 0.06568 0.10530 0.11183 0.05128 194 3S 0.03574 0.01120 -0.00164 0.02852 -0.00042 195 3PX -0.05550 -0.00678 0.01090 -0.06971 0.03493 196 3PY 0.02036 0.00112 -0.01133 -0.06173 -0.00224 197 3PZ -0.01732 0.03736 0.03903 0.05366 0.02723 198 4XX -0.00003 -0.00211 0.00126 -0.00148 0.00103 199 4YY -0.00377 0.00124 0.00058 0.00165 -0.00082 200 4ZZ 0.00041 0.00087 -0.00098 -0.00301 0.00149 201 4XY 0.00358 -0.00055 0.00701 0.00459 -0.00055 202 4XZ 0.00142 0.00410 -0.00398 0.00180 -0.00035 203 4YZ -0.00238 0.00071 0.00317 -0.00200 0.00337 204 18 C 1S -0.00741 0.00346 -0.01304 -0.00149 0.00213 205 2S 0.01552 -0.00835 0.02873 0.00634 -0.00565 206 2PX -0.09308 0.08274 -0.02206 0.22151 -0.01420 207 2PY 0.13394 -0.05862 0.10824 0.06605 -0.01747 208 2PZ -0.03483 0.05526 -0.09167 -0.03842 0.03542 209 3S 0.03155 -0.00896 0.03736 -0.00912 0.00018 210 3PX -0.04785 0.02655 0.00659 0.09328 -0.00615 211 3PY 0.05849 -0.03254 0.05634 0.02411 -0.01532 212 3PZ -0.00657 0.03003 -0.04448 -0.01185 0.01710 213 4XX 0.00001 0.00003 0.00229 -0.00178 0.00364 214 4YY 0.00006 0.00055 0.00057 0.00311 -0.00131 215 4ZZ -0.00379 0.00043 -0.00608 -0.00208 -0.00229 216 4XY 0.00186 0.00137 0.00038 0.00612 -0.00162 217 4XZ -0.00634 0.00385 0.00086 0.00217 0.00199 218 4YZ 0.00282 -0.00660 0.00708 -0.00680 -0.00091 219 19 H 1S -0.01474 -0.02380 0.02062 -0.03901 -0.01413 220 2S -0.01468 -0.02647 0.01703 -0.03323 -0.02235 221 20 H 1S -0.08399 0.06668 -0.07646 0.02200 0.01637 222 2S -0.07577 0.05705 -0.06574 0.02154 0.01302 223 21 H 1S -0.01237 0.03751 0.02997 -0.00896 0.03610 224 2S -0.01065 0.02612 0.02149 -0.00905 0.02744 225 22 H 1S -0.05571 -0.02932 0.00053 -0.06066 0.02629 226 2S -0.04676 -0.02513 0.00186 -0.05183 0.02346 227 23 H 1S -0.07365 -0.04480 -0.00514 -0.02823 -0.05791 228 2S -0.06751 -0.04255 -0.00318 -0.03509 -0.05976 229 24 H 1S 0.00081 -0.07287 -0.00834 -0.01170 -0.05356 230 2S -0.01644 -0.07408 -0.00723 -0.01551 -0.05211 231 25 H 1S 0.05988 -0.03562 0.02372 0.05690 0.00636 232 2S 0.04116 -0.03066 0.01561 0.04483 -0.01939 233 26 H 1S -0.04437 -0.01849 0.08650 -0.01679 -0.03317 234 2S -0.04189 -0.02726 0.07570 -0.01938 -0.03925 235 27 H 1S 0.02039 0.01709 -0.05095 0.03181 0.03217 236 2S 0.00943 0.01697 -0.04123 0.04530 0.02201 237 28 Br 1S -0.00085 -0.00037 0.00006 0.00020 0.00019 238 2S 0.00550 0.00250 -0.00037 -0.00153 -0.00099 239 3S -0.00625 -0.00311 0.00035 0.00226 0.00061 240 4S -0.01213 -0.00504 0.00105 0.00243 0.00330 241 5S 0.00449 0.01546 0.00141 -0.00604 -0.00340 242 6S 0.02872 -0.02514 -0.00653 0.00494 0.00031 243 7PX -0.01498 -0.02005 -0.00212 -0.01235 -0.05084 244 7PY 0.00357 -0.00973 0.00986 -0.00596 0.07325 245 7PZ -0.02357 0.00960 0.00774 0.00246 -0.01295 246 8PX 0.04614 0.06178 0.00656 0.03807 0.15675 247 8PY -0.01100 0.02999 -0.03040 0.01838 -0.22586 248 8PZ 0.07262 -0.02956 -0.02386 -0.00757 0.03991 249 9PX -0.08426 -0.11229 -0.01259 -0.06973 -0.28747 250 9PY 0.01984 -0.05439 0.05611 -0.03405 0.41524 251 9PZ -0.13357 0.05398 0.04435 0.01291 -0.07299 252 10PX -0.06462 -0.09156 -0.00493 -0.05468 -0.22592 253 10PY 0.01644 -0.04621 0.03978 -0.02717 0.32507 254 10PZ -0.09521 0.03451 0.03477 0.00809 -0.05033 255 11XX 0.00222 0.00260 0.00043 -0.00111 0.00235 256 11YY 0.00034 0.00229 -0.00033 -0.00106 -0.00525 257 11ZZ 0.00576 -0.00064 -0.00060 -0.00104 0.00213 258 11XY 0.00119 0.00159 0.00016 0.00063 0.00159 259 11XZ 0.00122 0.00243 0.00059 0.00168 0.00225 260 11YZ 0.00032 0.00032 -0.00241 0.00119 -0.00411 261 12XX -0.00163 0.00147 -0.00031 -0.00277 -0.00650 262 12YY 0.00285 0.00272 0.00168 -0.00332 0.01725 263 12ZZ -0.01146 0.00894 0.00477 -0.00533 -0.00200 264 12XY -0.00390 -0.00490 0.00022 -0.00261 -0.00444 265 12XZ -0.00374 -0.00851 -0.00064 -0.00534 -0.00731 266 12YZ -0.00189 -0.00237 0.00700 -0.00491 0.01531 267 29 C 1S 0.00336 -0.01426 -0.01074 0.00856 -0.00331 268 2S -0.00690 0.03088 0.02270 -0.01783 0.00459 269 2PX -0.14078 -0.08499 -0.04945 0.01445 0.03859 270 2PY 0.04446 0.00507 -0.04460 0.08305 -0.07248 271 2PZ 0.04350 -0.13102 -0.09948 0.05148 0.00179 272 3S -0.01686 0.04837 0.03741 -0.03611 0.01845 273 3PX -0.07418 -0.04112 -0.02635 0.01110 0.01108 274 3PY 0.01742 0.01264 -0.01918 0.04894 -0.04510 275 3PZ 0.02536 -0.05380 -0.04465 0.01872 0.00465 276 4XX 0.00452 0.00092 -0.00167 0.00326 -0.00371 277 4YY -0.00079 0.00065 -0.00059 0.00130 -0.00250 278 4ZZ -0.00257 -0.00415 -0.00042 -0.00267 0.00471 279 4XY -0.00920 -0.00083 -0.00111 -0.00134 -0.00004 280 4XZ -0.00644 -0.00436 -0.00094 -0.00279 0.00328 281 4YZ 0.00369 0.00865 0.00519 -0.00169 -0.00181 282 30 H 1S 0.10779 0.04093 0.00636 0.02685 -0.04028 283 2S 0.09979 0.02120 -0.00488 0.03827 -0.03519 284 31 H 1S -0.03069 -0.08430 -0.04028 -0.00749 0.03928 285 2S -0.03353 -0.08923 -0.04265 0.00129 0.03023 286 32 H 1S -0.05314 -0.01090 -0.02471 0.02810 -0.01970 287 2S -0.03712 -0.02565 -0.02822 0.02087 -0.01871 288 33 H 1S 0.03391 0.12942 0.05425 -0.02712 -0.01660 289 2S 0.03829 0.10635 0.04460 -0.02426 -0.00267 290 34 H 1S 0.03267 -0.03029 -0.00832 0.03720 -0.01867 291 2S 0.03996 -0.03247 -0.00473 0.02874 -0.01743 292 35 H 1S 0.04551 -0.01630 -0.03607 0.03085 0.00795 293 2S 0.04825 -0.00706 -0.02986 0.03302 0.00774 294 36 H 1S 0.02807 0.05042 -0.03975 -0.08465 0.03012 295 2S 0.02288 0.04539 -0.03377 -0.07458 0.02542 296 37 H 1S 0.03063 -0.12829 -0.08269 0.06389 0.02848 297 2S 0.03657 -0.10503 -0.07191 0.05854 0.05429 298 38 H 1S -0.13330 0.03323 0.02543 -0.00596 0.01304 299 2S -0.11370 0.02588 0.01997 -0.00570 0.01850 300 39 H 1S 0.00705 -0.08614 -0.04340 0.04296 0.09860 301 2S 0.02232 -0.07628 -0.04180 0.04550 0.10587 302 40 H 1S -0.03533 -0.01205 0.04615 -0.00509 -0.05581 303 2S -0.03200 -0.00624 0.04112 0.00367 -0.04461 66 67 68 69 70 O O O O O Eigenvalues -- -0.46930 -0.46119 -0.45884 -0.45675 -0.45104 1 1 C 1S -0.00590 0.00319 0.00322 0.00922 0.01085 2 2S 0.01494 -0.00307 -0.01210 -0.02239 -0.02411 3 2PX 0.00024 0.05778 -0.06793 0.03768 0.05542 4 2PY -0.00106 0.06013 -0.04108 -0.06332 -0.09962 5 2PZ -0.05297 0.01616 0.06889 0.07175 0.07531 6 3S 0.01762 -0.03430 0.00162 -0.02471 -0.03699 7 3PX -0.00013 0.02100 -0.01304 0.03419 0.03663 8 3PY -0.00179 0.03000 -0.02890 -0.03734 -0.04785 9 3PZ -0.00858 0.00388 0.03368 0.03089 0.05179 10 4XX 0.00002 0.00319 -0.00723 0.00068 0.00369 11 4YY 0.00011 -0.00801 0.00485 0.00133 0.00271 12 4ZZ -0.00109 0.00508 0.00483 0.00013 -0.00428 13 4XY -0.00175 -0.00322 0.00920 0.00420 0.00316 14 4XZ 0.00094 0.00599 -0.00330 -0.00136 -0.00402 15 4YZ -0.00240 0.00739 -0.00114 0.00196 0.00014 16 2 C 1S -0.00238 0.01300 -0.00744 0.00007 -0.00159 17 2S 0.00386 -0.03176 0.01686 -0.00120 0.00044 18 2PX 0.02923 -0.12144 0.17773 -0.01254 -0.07267 19 2PY -0.01171 -0.22347 0.04642 0.02698 0.12124 20 2PZ 0.03477 -0.04651 -0.14449 -0.09627 -0.04066 21 3S 0.01777 -0.04920 0.02770 -0.00282 0.01672 22 3PX 0.01972 -0.05508 0.09296 -0.00633 -0.03171 23 3PY -0.00802 -0.11943 0.02618 0.01003 0.05259 24 3PZ 0.01874 -0.01556 -0.06638 -0.03722 -0.01142 25 4XX -0.00147 -0.00172 -0.01463 -0.00034 0.00980 26 4YY 0.00109 0.00049 0.01000 0.00268 -0.00330 27 4ZZ -0.00036 0.00576 0.00181 -0.00173 -0.00633 28 4XY -0.00128 -0.00337 0.00828 0.00337 0.00195 29 4XZ 0.00148 0.00463 0.00434 -0.00022 -0.00583 30 4YZ -0.00211 0.01417 0.00408 0.00859 0.00333 31 3 C 1S 0.00214 0.00645 0.00390 0.00076 -0.00701 32 2S -0.00484 -0.01907 -0.00890 -0.00274 0.01667 33 2PX -0.03169 0.12996 -0.21454 0.01551 0.12118 34 2PY 0.02069 0.22616 -0.01923 -0.00851 -0.12895 35 2PZ 0.00638 0.12293 0.16849 0.16271 0.06608 36 3S -0.01050 -0.01004 -0.02141 0.00273 0.03035 37 3PX -0.01702 0.05831 -0.09714 0.01047 0.06562 38 3PY 0.00875 0.09759 -0.00747 -0.00996 -0.06612 39 3PZ 0.00166 0.06399 0.08149 0.08179 0.03086 40 4XX -0.00261 -0.00645 -0.00923 -0.00142 0.00801 41 4YY 0.00093 0.00342 0.00914 0.00290 -0.00402 42 4ZZ 0.00238 0.00630 0.00110 -0.00183 -0.00778 43 4XY -0.00013 -0.00868 0.00917 0.00368 0.00465 44 4XZ -0.00064 -0.00136 -0.00150 -0.00646 -0.00810 45 4YZ 0.00004 0.01863 0.00717 0.01232 0.00442 46 4 C 1S 0.00671 0.00170 0.01004 0.00341 0.00268 47 2S -0.01238 -0.00317 -0.02732 -0.00820 -0.00452 48 2PX 0.02015 -0.09903 0.22099 -0.02486 -0.15426 49 2PY -0.00985 -0.18060 0.02320 0.00531 0.11535 50 2PZ -0.05236 -0.09351 -0.11667 -0.13537 -0.07060 51 3S -0.03991 -0.00720 -0.01679 -0.02326 -0.02518 52 3PX 0.00582 -0.04482 0.11044 -0.00869 -0.06312 53 3PY 0.00954 -0.08498 0.00618 -0.00363 0.04665 54 3PZ -0.01971 -0.03821 -0.04681 -0.06384 -0.03562 55 4XX -0.00152 -0.00665 -0.00748 -0.00338 0.00523 56 4YY -0.00113 -0.00427 0.00764 0.00065 -0.00069 57 4ZZ 0.00475 0.01108 0.00490 0.00495 -0.00479 58 4XY 0.00080 -0.01329 0.01192 0.00326 0.00406 59 4XZ 0.00120 -0.00151 -0.00425 -0.00661 -0.00734 60 4YZ 0.00479 0.01386 0.00196 0.00905 0.00392 61 5 C 1S -0.00005 -0.00014 0.00712 0.01118 0.01329 62 2S 0.00287 0.00076 -0.01159 -0.02029 -0.02765 63 2PX 0.03862 0.04778 -0.09385 0.02209 0.08847 64 2PY 0.11131 0.04761 -0.04345 -0.03644 -0.12239 65 2PZ 0.10434 0.03982 0.07508 0.13765 0.09962 66 3S -0.01946 0.00263 -0.04443 -0.06608 -0.05787 67 3PX -0.01038 0.00635 -0.01553 0.01066 0.02922 68 3PY 0.03395 -0.01935 -0.02832 -0.00718 -0.03847 69 3PZ 0.01640 0.00921 0.03752 0.05173 0.05748 70 4XX -0.00731 0.00141 -0.00678 -0.00062 0.00707 71 4YY -0.00121 -0.00603 0.00499 -0.00162 0.00023 72 4ZZ 0.00858 0.00572 0.00325 0.00456 -0.00551 73 4XY -0.00326 -0.00088 0.00957 0.00385 0.00317 74 4XZ 0.00017 0.00282 -0.00157 -0.00367 -0.00538 75 4YZ 0.00774 0.00491 -0.00377 0.00439 0.00397 76 6 C 1S 0.01617 0.00388 -0.00340 0.00627 -0.00658 77 2S -0.04118 -0.00400 0.00911 -0.01544 0.00652 78 2PX -0.05885 -0.04943 0.13444 -0.01327 -0.03465 79 2PY -0.05647 -0.02405 0.06769 0.07350 0.08450 80 2PZ 0.03107 0.07629 -0.03419 -0.00502 -0.05838 81 3S -0.04785 -0.03093 0.00705 -0.02507 0.05714 82 3PX -0.02601 -0.04033 0.07865 0.01456 0.00242 83 3PY -0.03744 -0.01235 0.03600 0.03213 0.00685 84 3PZ 0.01275 0.06800 -0.01832 0.00154 -0.04320 85 4XX -0.00109 -0.00019 -0.00221 0.00223 0.00444 86 4YY 0.00249 0.00206 0.00208 0.00029 -0.00651 87 4ZZ 0.00318 -0.00007 0.00039 0.00007 0.00057 88 4XY -0.00098 -0.00406 0.00448 0.00552 0.00614 89 4XZ 0.00209 0.00094 -0.00082 -0.00113 -0.00444 90 4YZ 0.00499 0.00173 0.00099 0.00866 0.00727 91 7 C 1S -0.00450 -0.00252 0.00287 0.00791 0.00744 92 2S 0.01247 0.00716 -0.00670 -0.02097 -0.01665 93 2PX -0.06299 -0.00719 0.00297 0.04086 0.04705 94 2PY -0.01176 0.01806 -0.02336 -0.07031 -0.10987 95 2PZ 0.04114 -0.04162 -0.01199 -0.02600 0.02456 96 3S 0.00023 0.01568 -0.00806 -0.02824 -0.05450 97 3PX -0.00577 0.00962 0.00567 0.01448 0.02538 98 3PY 0.00447 -0.00784 -0.01740 -0.03064 -0.06133 99 3PZ 0.03164 -0.02108 -0.00656 -0.01930 0.01442 100 4XX -0.00116 -0.00057 -0.00316 0.00158 0.00274 101 4YY -0.00227 0.00077 0.00253 -0.00410 -0.00373 102 4ZZ 0.00296 0.00169 0.00243 0.00557 0.00236 103 4XY -0.00314 -0.00252 0.00286 0.00477 0.00332 104 4XZ -0.00980 0.00211 0.00017 0.00413 -0.00325 105 4YZ -0.00539 0.00446 -0.00058 0.00294 -0.00198 106 8 C 1S 0.00667 0.00200 0.00999 -0.00567 0.00083 107 2S -0.01456 -0.00312 -0.02062 0.01266 -0.00015 108 2PX 0.03959 0.00126 -0.00606 -0.01224 -0.02762 109 2PY -0.04186 -0.00764 -0.02820 0.08275 0.03506 110 2PZ -0.03806 0.01627 0.02763 0.05072 -0.03537 111 3S -0.03762 -0.02656 -0.04813 0.03413 -0.00276 112 3PX 0.01858 0.00292 0.00300 -0.00299 -0.00739 113 3PY -0.03282 0.00458 -0.01170 0.03743 0.02124 114 3PZ -0.03398 0.01155 0.01832 0.02943 -0.02279 115 4XX -0.00166 -0.00147 -0.00025 0.00290 0.00412 116 4YY 0.00521 0.00067 0.00076 -0.00990 -0.00052 117 4ZZ -0.00255 0.00101 0.00098 0.00570 -0.00452 118 4XY 0.00127 0.00008 0.00007 0.00223 0.00374 119 4XZ 0.00069 0.00171 0.00074 -0.00113 0.00096 120 4YZ 0.00311 0.00145 0.00097 -0.00552 0.00174 121 9 C 1S 0.00193 0.00066 -0.00311 -0.00015 0.01006 122 2S -0.00669 -0.00509 0.00373 0.00779 -0.02136 123 2PX -0.01303 0.00420 -0.00515 0.04841 -0.01364 124 2PY 0.03963 0.03167 0.06393 -0.14281 -0.00006 125 2PZ 0.09688 0.03623 0.01361 -0.10880 0.12284 126 3S -0.00515 0.01276 0.02547 -0.02514 -0.05021 127 3PX -0.00053 -0.01171 -0.00676 0.03828 -0.01673 128 3PY 0.00779 0.01445 0.02932 -0.08083 0.01435 129 3PZ 0.05588 0.00464 0.00274 -0.04359 0.06800 130 4XX -0.00240 -0.00267 -0.00719 0.00937 -0.00151 131 4YY -0.00045 0.00025 0.00276 -0.00474 0.00352 132 4ZZ 0.00402 0.00276 0.00405 -0.00585 0.00053 133 4XY 0.00402 0.00052 -0.00123 -0.00276 0.00073 134 4XZ 0.00414 -0.00096 0.00230 -0.00336 -0.00049 135 4YZ 0.00559 0.00376 0.00173 -0.00852 0.00597 136 10 C 1S 0.01845 0.00287 0.01049 -0.00159 -0.00487 137 2S -0.04431 -0.00586 -0.01815 0.00001 0.01196 138 2PX -0.04816 -0.00732 0.12608 -0.00796 -0.05676 139 2PY -0.08798 0.02616 -0.03045 -0.03558 0.12781 140 2PZ -0.05178 -0.00375 -0.01491 -0.02751 0.00222 141 3S -0.05040 -0.01338 -0.06202 0.02356 0.01782 142 3PX -0.02723 0.00997 0.06889 -0.00933 -0.04392 143 3PY -0.03954 0.04827 -0.00949 -0.03659 0.05867 144 3PZ 0.00230 -0.01030 -0.01956 0.00495 0.00956 145 4XX -0.00313 -0.00141 0.00090 -0.00382 0.00032 146 4YY -0.00010 -0.00111 -0.00273 0.00598 -0.00246 147 4ZZ 0.00620 0.00256 0.00346 -0.00221 0.00096 148 4XY 0.00129 -0.00164 0.00372 0.00103 0.00344 149 4XZ 0.00276 -0.00166 0.00002 0.00070 -0.00735 150 4YZ 0.00922 0.00026 -0.00249 0.00473 -0.00181 151 11 C 1S -0.00255 -0.00028 -0.00732 0.00520 0.00060 152 2S 0.00419 0.00431 0.01888 -0.01663 -0.00162 153 2PX 0.12235 -0.00552 0.05328 -0.06183 -0.12625 154 2PY 0.04875 -0.02117 -0.13087 0.11736 -0.02989 155 2PZ 0.04826 -0.08762 -0.03484 0.15037 -0.08492 156 3S 0.01221 -0.02333 0.01252 -0.00008 0.00404 157 3PX 0.05648 0.01045 0.02736 -0.03905 -0.07032 158 3PY 0.02000 -0.00449 -0.07136 0.05321 -0.02165 159 3PZ 0.02302 -0.05267 -0.01595 0.07584 -0.04081 160 4XX -0.00230 0.00259 0.00100 -0.00650 0.00466 161 4YY 0.00063 -0.00183 0.00016 0.00375 -0.00107 162 4ZZ 0.00191 -0.00098 -0.00431 0.00521 -0.00369 163 4XY -0.00117 -0.00126 -0.00075 0.00345 -0.00329 164 4XZ 0.00228 -0.00071 -0.00265 0.00386 0.00229 165 4YZ 0.00902 -0.00491 -0.00160 0.00850 -0.00903 166 12 H 1S -0.03568 0.02928 -0.03116 -0.01444 0.06641 167 2S -0.03128 0.01784 -0.01025 -0.01035 0.05880 168 13 H 1S 0.07082 -0.05442 -0.05154 0.11630 -0.08221 169 2S 0.06420 -0.04435 -0.04207 0.10666 -0.07437 170 14 C 1S -0.00088 0.00357 -0.00020 0.00146 -0.00808 171 2S 0.00209 -0.00559 0.00226 -0.00595 0.01901 172 2PX -0.06507 -0.00696 -0.06569 0.07909 0.06649 173 2PY -0.02040 0.07493 0.04446 -0.14049 -0.08396 174 2PZ 0.02655 0.01878 0.06284 -0.09349 0.11350 175 3S 0.00292 -0.02311 -0.00208 0.00620 0.02128 176 3PX -0.02576 -0.00575 -0.02228 0.03562 0.02799 177 3PY -0.01164 0.03905 0.01701 -0.07153 -0.03003 178 3PZ 0.01597 0.00559 0.03289 -0.04248 0.05620 179 4XX -0.00220 0.00325 0.00682 -0.00761 0.00010 180 4YY 0.00148 0.00011 -0.00436 0.00221 -0.00331 181 4ZZ -0.00022 -0.00279 -0.00372 0.00698 0.00074 182 4XY -0.00448 0.00103 -0.00296 0.00150 -0.00150 183 4XZ -0.00164 -0.00060 -0.00137 0.00297 0.00548 184 4YZ 0.00307 -0.00290 0.00036 0.00451 -0.00624 185 15 H 1S -0.04216 0.02779 -0.01811 -0.02069 -0.02432 186 2S -0.03779 0.02485 -0.01701 -0.01632 -0.02559 187 16 H 1S 0.00503 -0.03871 -0.04088 0.09011 -0.03683 188 2S 0.00853 -0.03134 -0.03416 0.08068 -0.03215 189 17 C 1S -0.00112 -0.00124 0.00707 -0.00120 -0.00646 190 2S 0.00341 0.00123 -0.01621 0.00509 0.01344 191 2PX -0.01776 0.00853 0.13465 -0.04242 -0.07621 192 2PY -0.07722 0.01395 0.04277 -0.01429 0.19606 193 2PZ -0.04941 0.04587 -0.02595 -0.04718 -0.02422 194 3S -0.00200 0.00911 -0.02218 -0.00796 0.02695 195 3PX -0.01115 0.00380 0.06258 -0.01456 -0.03800 196 3PY -0.04273 0.01467 0.01732 -0.01066 0.09152 197 3PZ -0.02093 0.01730 -0.00641 -0.02269 -0.01331 198 4XX 0.00168 -0.00029 0.00221 0.00011 -0.00688 199 4YY 0.00045 0.00188 0.00182 -0.00562 0.00214 200 4ZZ -0.00301 -0.00134 -0.00114 0.00457 0.00291 201 4XY -0.00316 0.00245 -0.00626 -0.00007 0.00215 202 4XZ -0.00210 0.00149 0.00099 -0.00298 0.00921 203 4YZ -0.00188 0.00345 0.00504 -0.00584 -0.00043 204 18 C 1S 0.00906 -0.00128 0.01389 -0.00953 -0.00050 205 2S -0.01678 0.00166 -0.03143 0.02271 -0.00458 206 2PX 0.07982 -0.02461 -0.03617 -0.02480 -0.04475 207 2PY 0.00028 -0.01360 -0.14431 0.11329 -0.11460 208 2PZ -0.00391 -0.09926 -0.01141 0.17587 -0.05592 209 3S -0.04520 0.00811 -0.04540 0.02784 0.02201 210 3PX 0.03686 -0.00848 -0.01604 -0.00789 -0.03961 211 3PY 0.00216 -0.00355 -0.07197 0.06017 -0.05327 212 3PZ -0.00491 -0.04583 -0.01041 0.08250 -0.01993 213 4XX -0.00108 -0.00178 -0.00103 0.00530 -0.00853 214 4YY 0.00014 0.00123 0.00081 -0.00417 0.00462 215 4ZZ 0.00239 0.00056 0.00412 -0.00421 0.00553 216 4XY 0.00093 0.00337 -0.00277 -0.00519 0.00243 217 4XZ -0.00164 0.00043 0.00391 -0.00330 0.00300 218 4YZ -0.00234 0.00756 0.00382 -0.01192 0.00516 219 19 H 1S -0.01515 0.06606 0.05947 -0.13340 0.08885 220 2S 0.00143 0.06356 0.05732 -0.13142 0.08418 221 20 H 1S 0.01246 -0.05123 0.02692 0.04715 0.00381 222 2S 0.01662 -0.04846 0.03094 0.04157 0.00059 223 21 H 1S -0.05363 0.03307 0.02401 -0.03973 0.05029 224 2S -0.04165 0.02822 0.02215 -0.03607 0.04573 225 22 H 1S 0.02869 -0.01101 0.06147 -0.00481 -0.09123 226 2S 0.02499 -0.01007 0.05749 -0.00640 -0.08475 227 23 H 1S 0.08486 -0.00318 -0.00378 0.03503 -0.03037 228 2S 0.12437 0.01064 0.00351 0.03357 -0.02294 229 24 H 1S 0.06842 0.03431 0.03787 -0.11201 0.05296 230 2S 0.06682 0.03853 0.03752 -0.10838 0.04806 231 25 H 1S 0.03910 0.00346 0.00510 -0.07696 -0.01642 232 2S 0.03191 0.01478 0.01861 -0.09249 -0.01043 233 26 H 1S -0.02965 0.01017 0.01042 0.04226 -0.03428 234 2S -0.01536 0.01028 0.01326 0.03737 -0.03269 235 27 H 1S 0.05345 -0.02644 0.00805 -0.00673 0.03288 236 2S 0.04845 -0.03788 0.01732 0.00204 0.03982 237 28 Br 1S 0.00081 0.00050 0.00043 0.00038 0.00008 238 2S -0.00538 -0.00357 -0.00296 -0.00244 -0.00033 239 3S 0.00639 0.00472 0.00371 0.00278 0.00005 240 4S 0.01146 0.00692 0.00600 0.00550 0.00118 241 5S -0.02286 -0.01833 -0.01165 -0.00775 0.00219 242 6S 0.02274 0.02424 0.01039 0.00294 -0.00961 243 7PX 0.05484 0.00785 -0.00005 -0.00501 0.00798 244 7PY 0.04914 -0.01090 0.00095 0.00910 0.03116 245 7PZ -0.03617 0.01047 0.00619 0.02099 -0.00626 246 8PX -0.16910 -0.02422 0.00016 0.01542 -0.02462 247 8PY -0.15154 0.03366 -0.00292 -0.02804 -0.09614 248 8PZ 0.11154 -0.03232 -0.01910 -0.06477 0.01933 249 9PX 0.30975 0.04515 0.00014 -0.02702 0.04546 250 9PY 0.27790 -0.06337 0.00509 0.05073 0.17769 251 9PZ -0.20508 0.06073 0.03560 0.12048 -0.03582 252 10PX 0.25521 0.03211 -0.00438 -0.02975 0.03724 253 10PY 0.22673 -0.03715 0.00749 0.04994 0.13947 254 10PZ -0.15826 0.04403 0.02770 0.09476 -0.02813 255 11XX -0.00427 -0.00203 -0.00159 -0.00114 0.00005 256 11YY -0.00443 -0.00063 -0.00168 -0.00021 -0.00113 257 11ZZ -0.00002 -0.00405 -0.00189 -0.00242 0.00121 258 11XY -0.00201 0.00096 -0.00018 -0.00036 0.00037 259 11XZ -0.00036 -0.00179 -0.00095 -0.00040 -0.00028 260 11YZ -0.00043 0.00133 0.00114 0.00127 0.00062 261 12XX -0.00099 -0.00738 -0.00376 -0.00213 0.00227 262 12YY 0.00191 -0.00854 -0.00288 -0.00196 0.00559 263 12ZZ -0.01528 -0.00063 -0.00203 0.00527 -0.00145 264 12XY 0.00803 -0.00274 -0.00010 0.00058 -0.00018 265 12XZ 0.00496 0.00511 0.00219 0.00054 0.00137 266 12YZ 0.00385 -0.00223 -0.00225 -0.00083 -0.00057 267 29 C 1S -0.01108 -0.00359 -0.00037 -0.00465 0.00009 268 2S 0.01891 0.00564 0.00016 0.00834 -0.00095 269 2PX -0.05806 0.04745 0.05350 0.00457 -0.02404 270 2PY -0.10653 -0.01842 0.02482 -0.06517 0.05307 271 2PZ -0.11758 -0.09084 -0.04880 -0.06153 -0.03452 272 3S 0.07329 0.03278 0.00455 0.02330 -0.00336 273 3PX -0.02951 0.03316 0.02540 -0.00799 -0.00720 274 3PY -0.07392 -0.01476 0.01657 -0.05539 0.02506 275 3PZ -0.07554 -0.06573 -0.03059 -0.03276 -0.01453 276 4XX -0.00413 -0.00134 -0.00041 -0.00230 0.00292 277 4YY -0.00218 0.00062 0.00354 0.00157 0.00326 278 4ZZ 0.00231 -0.00106 -0.00354 -0.00162 -0.00672 279 4XY -0.00206 0.00352 0.00676 0.00244 -0.00064 280 4XZ 0.00093 -0.00040 0.00155 0.00005 -0.00467 281 4YZ 0.00585 0.00297 0.00041 0.00315 0.00394 282 30 H 1S -0.00966 -0.03285 -0.03158 -0.02338 0.03260 283 2S -0.00995 -0.00745 -0.02786 -0.01469 0.03935 284 31 H 1S -0.02582 -0.02999 -0.02431 -0.01612 -0.05096 285 2S -0.02502 -0.02506 -0.01871 -0.03374 -0.05504 286 32 H 1S -0.05278 0.02254 0.04714 -0.00408 0.01778 287 2S -0.04597 0.00354 0.04037 0.02093 0.01269 288 33 H 1S 0.04329 0.13291 0.06055 0.08359 -0.00550 289 2S 0.06606 0.13976 0.06539 0.08853 0.00178 290 34 H 1S -0.00564 -0.14275 0.10446 0.00765 0.02366 291 2S -0.01308 -0.13412 0.09874 0.01464 0.03638 292 35 H 1S 0.01282 0.17259 0.08477 0.08496 -0.02211 293 2S 0.01398 0.17348 0.08619 0.08698 -0.01816 294 36 H 1S 0.00918 -0.04487 -0.05255 -0.10651 -0.10923 295 2S 0.00874 -0.03750 -0.04550 -0.09780 -0.10608 296 37 H 1S -0.01398 0.12505 0.06471 0.05091 -0.02253 297 2S -0.01402 0.13054 0.06873 0.05755 -0.01965 298 38 H 1S -0.01303 0.01033 -0.13323 -0.00473 0.07196 299 2S -0.01176 0.01569 -0.12600 -0.00405 0.07097 300 39 H 1S -0.02595 0.03831 0.02597 0.01072 -0.00952 301 2S -0.03176 0.04549 0.02876 0.02002 -0.01122 302 40 H 1S -0.00569 -0.06949 0.06587 0.02925 0.04382 303 2S -0.01871 -0.07166 0.07044 0.03529 0.04989 71 72 73 74 75 O O O O V Eigenvalues -- -0.44364 -0.42937 -0.41681 -0.41212 -0.25558 1 1 C 1S -0.00414 0.00089 0.00618 -0.00027 0.00195 2 2S 0.01073 -0.00265 -0.01337 0.00012 -0.00253 3 2PX 0.00354 -0.01132 -0.06280 0.04289 -0.00981 4 2PY -0.01585 0.01034 0.00482 -0.03582 -0.00916 5 2PZ -0.00464 -0.01124 0.01100 0.01192 -0.05244 6 3S 0.01265 0.00007 -0.03644 0.01482 -0.02845 7 3PX 0.00158 -0.00538 -0.03744 0.03343 0.03261 8 3PY -0.01638 0.01097 -0.00052 -0.02054 -0.02566 9 3PZ 0.02533 -0.02184 0.01059 0.00610 -0.02153 10 4XX 0.00095 -0.00082 -0.00162 0.00159 0.00768 11 4YY -0.00074 0.00052 0.00179 0.00039 -0.00177 12 4ZZ 0.00021 -0.00011 0.00122 -0.00179 -0.00721 13 4XY 0.00046 -0.00015 0.00375 0.00053 0.00628 14 4XZ -0.00070 0.00074 -0.00080 -0.00142 0.01732 15 4YZ -0.00085 -0.00030 -0.00124 -0.00030 -0.01095 16 2 C 1S -0.00032 -0.00049 -0.00034 -0.00394 -0.01182 17 2S -0.00208 0.00312 0.00122 0.00616 0.02570 18 2PX -0.00242 0.01455 0.03211 -0.00913 0.02981 19 2PY -0.02637 0.00530 -0.00067 0.04888 -0.03757 20 2PZ -0.02181 0.01461 -0.01246 -0.01436 0.06365 21 3S 0.02524 -0.01218 0.00370 0.02565 0.07764 22 3PX 0.00214 0.00428 0.01959 -0.00138 -0.00734 23 3PY -0.01935 0.00626 0.00040 0.02762 -0.05918 24 3PZ -0.01334 0.00609 -0.00555 -0.00634 0.06454 25 4XX -0.00130 -0.00068 -0.00364 0.00342 -0.00200 26 4YY 0.00061 0.00035 0.00188 -0.00126 0.00115 27 4ZZ 0.00093 0.00008 0.00120 -0.00282 -0.00076 28 4XY -0.00030 0.00003 0.00147 0.00097 0.00097 29 4XZ 0.00105 0.00005 0.00060 -0.00162 0.00081 30 4YZ 0.00057 -0.00119 -0.00049 0.00095 -0.00350 31 3 C 1S 0.00150 0.00101 0.00248 -0.00439 -0.00511 32 2S -0.00312 -0.00169 -0.00619 0.01239 0.00472 33 2PX -0.01333 -0.01870 -0.05274 0.05379 -0.00233 34 2PY 0.02551 -0.00378 0.00757 -0.05761 0.00069 35 2PZ -0.00071 -0.01193 0.01345 0.02384 -0.00906 36 3S -0.01296 -0.00449 -0.00879 0.00536 0.07443 37 3PX -0.00919 -0.01132 -0.02587 0.03242 -0.00258 38 3PY 0.01505 -0.00222 0.00435 -0.02346 -0.00494 39 3PZ 0.00239 -0.00539 0.00984 0.00920 -0.00186 40 4XX -0.00088 -0.00043 -0.00208 0.00317 -0.00116 41 4YY 0.00091 0.00005 0.00153 -0.00164 0.00032 42 4ZZ 0.00043 0.00070 0.00087 -0.00300 0.00002 43 4XY -0.00069 0.00023 0.00086 0.00387 -0.00151 44 4XZ 0.00185 0.00047 0.00079 -0.00456 0.00156 45 4YZ 0.00062 -0.00160 -0.00006 0.00150 -0.00341 46 4 C 1S -0.00394 0.00091 0.00345 0.00356 -0.00996 47 2S 0.00847 -0.00170 -0.00799 -0.00656 0.02231 48 2PX 0.03039 0.01487 0.04514 -0.05349 0.02857 49 2PY -0.02413 0.00258 0.00124 0.10287 -0.04002 50 2PZ 0.03191 -0.00115 -0.01461 -0.06207 0.04931 51 3S 0.01877 -0.00785 -0.01337 -0.02465 0.06070 52 3PX 0.00410 0.00422 0.02244 -0.03451 0.04369 53 3PY -0.01418 0.00670 -0.00406 0.06590 -0.03417 54 3PZ 0.01357 -0.00086 -0.00770 -0.04084 0.03486 55 4XX -0.00066 -0.00034 -0.00296 0.00439 0.00146 56 4YY 0.00158 -0.00033 0.00186 0.00205 -0.00162 57 4ZZ -0.00138 0.00098 0.00211 -0.00532 -0.00073 58 4XY -0.00079 0.00056 0.00370 0.00156 -0.00331 59 4XZ 0.00088 0.00051 -0.00157 -0.00280 0.00078 60 4YZ -0.00237 0.00028 -0.00104 0.00169 -0.00125 61 5 C 1S -0.00514 0.00363 0.01666 -0.01025 -0.00070 62 2S 0.01107 -0.00664 -0.03374 0.02209 0.00343 63 2PX 0.00626 -0.02554 -0.14043 0.14271 -0.01400 64 2PY -0.02734 0.03069 0.00941 -0.09947 -0.03116 65 2PZ -0.07996 0.02230 0.04743 0.01441 -0.05900 66 3S 0.01998 -0.01987 -0.09157 0.04663 -0.01750 67 3PX 0.02985 -0.03174 -0.05501 0.06845 0.02272 68 3PY 0.00597 0.01180 0.02618 -0.04007 -0.03049 69 3PZ -0.04100 0.00277 0.02274 -0.01580 -0.02634 70 4XX 0.00534 -0.00371 0.00009 0.00284 0.00234 71 4YY -0.00136 0.00099 -0.00009 -0.00165 -0.00712 72 4ZZ -0.00510 0.00365 0.00188 -0.00262 0.00414 73 4XY -0.00000 -0.00100 0.00893 0.00172 -0.00677 74 4XZ 0.00443 -0.00197 -0.00206 -0.00727 -0.00928 75 4YZ -0.00508 0.00160 -0.00346 0.00317 -0.01673 76 6 C 1S -0.00267 0.00293 -0.00713 -0.00283 0.02299 77 2S 0.00757 -0.00692 0.01411 0.00441 -0.06110 78 2PX -0.01354 0.00928 0.07993 -0.02234 0.06784 79 2PY 0.00217 -0.01074 0.06431 0.03581 0.22176 80 2PZ -0.03675 0.02531 -0.02636 -0.01702 0.43352 81 3S 0.01095 -0.00795 0.04044 0.02839 -0.13900 82 3PX -0.00341 0.00718 0.03484 0.01992 0.06186 83 3PY 0.02732 -0.01685 0.06806 -0.00364 0.22321 84 3PZ -0.04576 0.02799 -0.01927 -0.00723 0.38906 85 4XX -0.00039 -0.00042 -0.00675 0.00647 -0.00111 86 4YY -0.00185 0.00200 0.00432 -0.00558 -0.00490 87 4ZZ 0.00199 -0.00082 0.00045 -0.00078 0.01102 88 4XY -0.00088 -0.00036 0.00306 0.00225 0.00265 89 4XZ -0.00471 0.00276 0.00115 -0.00240 0.00366 90 4YZ -0.00307 0.00082 -0.00129 0.00311 0.00033 91 7 C 1S 0.00579 -0.00236 0.00560 -0.00109 0.02569 92 2S -0.02115 0.01123 -0.01549 0.00669 -0.07123 93 2PX -0.06859 0.02326 -0.07756 0.05429 0.02743 94 2PY -0.01594 0.01998 -0.01325 -0.04819 0.04912 95 2PZ 0.00999 -0.00741 0.00492 0.00943 0.13192 96 3S 0.01687 -0.01919 -0.01261 -0.02879 -0.08068 97 3PX -0.01542 -0.00538 -0.06090 0.01789 0.01705 98 3PY 0.01698 -0.00512 0.00561 -0.04475 0.08018 99 3PZ 0.01203 -0.00114 -0.01473 0.01292 0.15221 100 4XX -0.00449 0.00106 0.00088 0.00190 -0.00450 101 4YY -0.00155 0.00132 0.00149 -0.00184 0.00590 102 4ZZ 0.00725 -0.00236 -0.00012 0.00054 0.00772 103 4XY 0.00206 -0.00134 0.00655 0.00185 0.00223 104 4XZ -0.00361 0.00220 -0.00609 -0.00088 -0.00232 105 4YZ -0.00181 0.00134 -0.00120 0.00072 0.02419 106 8 C 1S 0.00427 0.00313 -0.02327 -0.00718 0.00593 107 2S -0.00866 -0.00817 0.04750 0.01523 -0.01742 108 2PX 0.05709 -0.03207 0.12708 -0.00503 0.01713 109 2PY 0.05604 -0.03210 0.08868 0.05619 -0.01887 110 2PZ 0.08920 -0.01786 -0.08860 -0.02731 -0.00712 111 3S -0.03008 -0.00182 0.12352 0.04718 -0.03101 112 3PX 0.03380 -0.02754 0.05890 -0.00350 0.01859 113 3PY 0.01948 -0.00244 0.06587 0.03907 0.01157 114 3PZ 0.03147 -0.00845 -0.04946 -0.02296 -0.02981 115 4XX -0.00389 0.00075 -0.00524 0.00791 -0.00171 116 4YY -0.00585 0.00297 0.00615 -0.00634 0.00328 117 4ZZ 0.01012 -0.00321 -0.00435 -0.00353 -0.00266 118 4XY 0.00110 -0.00106 0.00328 0.00375 -0.00378 119 4XZ -0.00368 0.00208 0.00009 -0.00055 -0.00468 120 4YZ -0.00562 0.00359 0.00054 0.00149 0.00309 121 9 C 1S -0.00639 0.01244 0.01227 0.00073 -0.00049 122 2S 0.01976 -0.02656 -0.02650 0.00058 0.00141 123 2PX -0.06350 0.00238 -0.14960 0.15576 0.00320 124 2PY -0.04947 0.06119 -0.03875 -0.16185 0.01123 125 2PZ -0.15903 0.09879 0.09100 0.08091 -0.00878 126 3S 0.00800 -0.07360 -0.04639 -0.01583 0.00245 127 3PX -0.03136 -0.01200 -0.06313 0.09548 0.00224 128 3PY -0.02332 0.02169 0.00425 -0.08720 0.03494 129 3PZ -0.07994 0.03036 0.02681 0.03935 -0.00869 130 4XX 0.00101 -0.00529 -0.00168 0.00352 0.00055 131 4YY 0.00318 0.00101 0.00279 -0.00108 0.00086 132 4ZZ -0.00625 0.00741 0.00170 -0.00240 -0.00120 133 4XY -0.00556 0.00333 0.01314 0.00308 -0.00209 134 4XZ -0.00488 0.00302 -0.00558 -0.00891 0.00043 135 4YZ -0.01060 0.01033 -0.00577 0.00569 0.00057 136 10 C 1S -0.00150 0.01054 -0.00779 0.00241 -0.00392 137 2S 0.01222 -0.02356 0.02005 -0.00680 0.01382 138 2PX 0.07576 -0.05114 0.15877 -0.10567 -0.03206 139 2PY 0.08500 -0.07122 0.10137 0.17477 0.02218 140 2PZ 0.19477 -0.09057 -0.09912 -0.08500 0.02892 141 3S -0.02894 -0.05348 0.01230 0.00666 -0.00561 142 3PX 0.03768 -0.02739 0.06250 -0.03403 -0.01655 143 3PY 0.02651 -0.02133 0.06109 0.09175 0.02565 144 3PZ 0.10723 -0.02513 -0.05565 -0.03319 -0.00429 145 4XX 0.00494 -0.00408 -0.00769 0.01172 0.00196 146 4YY 0.00283 0.00095 0.00508 -0.00471 -0.00024 147 4ZZ -0.01033 0.00669 0.00103 -0.00664 -0.00118 148 4XY -0.00363 0.00221 0.01037 0.00167 -0.00127 149 4XZ -0.00358 0.00510 0.00021 -0.00750 0.00114 150 4YZ -0.01319 0.01097 -0.00225 0.00699 -0.00286 151 11 C 1S -0.00448 0.01389 0.00628 -0.01246 0.00192 152 2S 0.00930 -0.03044 -0.01138 0.03181 -0.00177 153 2PX -0.05927 0.01285 -0.18958 0.12130 0.00817 154 2PY -0.04335 0.10937 -0.06789 -0.15134 -0.00333 155 2PZ 0.00607 0.12959 0.10787 0.07169 -0.00850 156 3S 0.02637 -0.06769 -0.03018 0.03632 -0.01416 157 3PX -0.04068 -0.00739 -0.09640 0.07260 0.00937 158 3PY -0.02870 0.03908 -0.02982 -0.07167 0.00362 159 3PZ 0.00753 0.05517 0.05748 0.02334 -0.00400 160 4XX -0.00311 -0.00804 0.00186 0.00656 0.00171 161 4YY -0.00075 0.00313 0.00036 -0.00764 -0.00109 162 4ZZ 0.00304 0.00858 -0.00144 -0.00315 0.00015 163 4XY -0.00071 0.00312 0.01171 0.00715 -0.00103 164 4XZ -0.00597 0.00321 -0.00246 -0.01051 -0.00109 165 4YZ -0.00360 0.01411 -0.00235 0.01070 -0.00051 166 12 H 1S 0.00162 -0.04155 -0.03601 -0.13942 -0.00181 167 2S 0.00269 -0.03651 -0.03044 -0.15525 -0.00271 168 13 H 1S -0.02416 0.12770 -0.00513 0.01353 -0.00555 169 2S -0.02750 0.16506 -0.00177 0.01105 -0.00979 170 14 C 1S 0.00261 0.01063 0.00679 0.00657 -0.00237 171 2S -0.00843 -0.02606 -0.01954 -0.01426 0.00569 172 2PX -0.07208 -0.05447 0.17954 -0.14398 -0.01391 173 2PY -0.04597 -0.11750 0.11172 0.18817 0.00377 174 2PZ -0.14217 -0.19420 -0.10674 -0.09577 0.00285 175 3S 0.00044 -0.03801 -0.01047 -0.02903 0.01328 176 3PX -0.03670 -0.03350 0.08087 -0.06574 -0.00589 177 3PY -0.01873 -0.04943 0.05703 0.09094 0.00518 178 3PZ -0.07035 -0.07795 -0.04869 -0.04875 -0.00226 179 4XX -0.00099 -0.00812 -0.00173 0.00556 -0.00012 180 4YY -0.00541 -0.00381 0.00510 -0.00028 -0.00011 181 4ZZ 0.00834 0.01553 0.00044 -0.00303 0.00006 182 4XY 0.00227 0.00320 0.01805 0.00368 -0.00057 183 4XZ 0.00393 0.00701 -0.00597 -0.00892 0.00009 184 4YZ 0.00794 0.01497 -0.00748 0.00584 0.00009 185 15 H 1S -0.03487 -0.06522 0.16369 0.04500 -0.00394 186 2S -0.03228 -0.05810 0.16578 0.04565 -0.01044 187 16 H 1S 0.10810 0.17391 -0.01386 0.00375 0.00050 188 2S 0.09859 0.19998 -0.01165 0.00699 -0.00635 189 17 C 1S 0.00393 0.00972 -0.00296 0.00936 -0.00062 190 2S -0.01248 -0.02363 0.01094 -0.02256 0.00058 191 2PX 0.07829 0.05291 -0.17691 0.13838 0.00063 192 2PY 0.07260 0.11903 -0.10661 -0.18211 -0.00279 193 2PZ 0.15761 0.19766 0.14316 0.09218 -0.00007 194 3S 0.00118 -0.03604 -0.00043 -0.03319 0.01291 195 3PX 0.03537 0.01386 -0.07811 0.06799 -0.00282 196 3PY 0.03203 0.04791 -0.04852 -0.08741 -0.00538 197 3PZ 0.08074 0.08881 0.06771 0.04480 0.00169 198 4XX -0.00175 -0.00618 -0.00777 0.01128 0.00055 199 4YY -0.00330 -0.00203 0.00604 -0.00224 -0.00018 200 4ZZ 0.00765 0.01148 -0.00041 -0.00527 -0.00031 201 4XY 0.00442 0.00862 0.01455 -0.00085 -0.00040 202 4XZ 0.00603 0.01141 -0.00085 -0.00803 -0.00019 203 4YZ 0.00897 0.01361 -0.00510 0.00919 0.00006 204 18 C 1S 0.00060 0.01135 -0.00980 -0.00942 -0.00027 205 2S -0.00066 -0.02624 0.02186 0.02387 0.00021 206 2PX -0.07047 -0.04311 0.19990 -0.12744 -0.00581 207 2PY -0.03184 -0.10228 0.10820 0.13087 0.00458 208 2PZ 0.00932 -0.11635 -0.13562 -0.08212 0.00251 209 3S -0.00782 -0.04845 0.03886 0.02718 0.00576 210 3PX -0.04229 -0.03090 0.10284 -0.04991 -0.01410 211 3PY -0.01482 -0.03790 0.05488 0.06237 -0.00754 212 3PZ 0.00856 -0.03945 -0.06646 -0.04396 0.00657 213 4XX 0.00436 -0.00488 -0.00173 0.00843 0.00027 214 4YY 0.00008 0.00415 0.00177 -0.00803 -0.00002 215 4ZZ -0.00364 0.00383 -0.00302 -0.00407 -0.00058 216 4XY 0.00022 0.00535 0.01148 0.00525 0.00035 217 4XZ 0.00506 0.00656 -0.00052 -0.01008 -0.00041 218 4YZ 0.00267 0.01437 -0.00006 0.01255 0.00008 219 19 H 1S 0.01871 0.12466 0.00631 0.02182 -0.00195 220 2S 0.02193 0.15943 0.00490 0.01826 -0.00571 221 20 H 1S -0.00367 -0.04699 -0.04786 -0.14136 -0.00290 222 2S -0.00181 -0.04360 -0.05508 -0.15880 -0.00531 223 21 H 1S 0.12790 0.17521 0.00354 0.00440 -0.00156 224 2S 0.11646 0.19853 0.00188 0.00875 -0.00314 225 22 H 1S -0.02853 -0.07839 -0.11241 0.10932 0.00327 226 2S -0.02516 -0.07074 -0.11447 0.11243 0.00405 227 23 H 1S -0.14759 0.09512 0.01088 -0.01045 -0.01645 228 2S -0.12593 0.13669 0.01330 -0.00541 -0.02422 229 24 H 1S -0.11819 0.09109 -0.00789 0.00484 -0.00226 230 2S -0.11520 0.13740 -0.00030 0.00476 -0.01455 231 25 H 1S -0.05328 0.02519 0.01520 -0.03559 0.02947 232 2S -0.04972 0.04074 0.01007 -0.05155 0.06246 233 26 H 1S 0.07134 -0.02089 -0.03906 -0.02189 -0.01859 234 2S 0.08300 -0.02220 -0.05028 -0.03053 -0.00573 235 27 H 1S 0.03501 -0.02037 0.05073 0.00438 -0.02964 236 2S 0.04341 -0.02926 0.06192 -0.00143 -0.03926 237 28 Br 1S -0.00074 0.00061 0.00011 -0.00012 -0.01011 238 2S 0.00513 -0.00415 -0.00075 0.00087 0.06795 239 3S -0.00660 0.00519 0.00089 -0.00121 -0.08303 240 4S -0.01000 0.00841 0.00157 -0.00164 -0.14320 241 5S 0.02553 -0.01747 -0.00068 0.00267 0.13398 242 6S -0.02878 0.01648 -0.00561 -0.00099 0.18542 243 7PX 0.06361 -0.02587 0.00588 -0.00046 0.00607 244 7PY 0.00350 -0.00442 0.00714 0.00390 0.04652 245 7PZ -0.01232 0.00696 -0.00421 0.00030 0.05006 246 8PX -0.19634 0.07988 -0.01817 0.00142 -0.01882 247 8PY -0.01083 0.01365 -0.02205 -0.01205 -0.14413 248 8PZ 0.03799 -0.02150 0.01303 -0.00092 -0.15516 249 9PX 0.36386 -0.14876 0.03391 -0.00244 0.03593 250 9PY 0.02113 -0.02520 0.04120 0.02221 0.27156 251 9PZ -0.06880 0.03944 -0.02441 0.00152 0.29323 252 10PX 0.29287 -0.11848 0.02660 -0.00276 0.04976 253 10PY 0.01038 -0.02003 0.03330 0.01951 0.32373 254 10PZ -0.05957 0.03489 -0.02470 0.00402 0.37701 255 11XX 0.00449 -0.00367 0.00008 0.00038 0.02226 256 11YY 0.00199 -0.00154 -0.00014 0.00049 0.04577 257 11ZZ 0.00261 -0.00194 -0.00114 0.00090 0.04530 258 11XY 0.00027 -0.00061 -0.00009 0.00015 0.00072 259 11XZ -0.00134 0.00076 0.00068 -0.00053 0.00360 260 11YZ -0.00107 0.00056 0.00098 0.00067 0.02154 261 12XX 0.00641 -0.00194 -0.00056 0.00151 0.04871 262 12YY 0.01057 -0.00741 0.00060 0.00073 -0.00791 263 12ZZ 0.00958 -0.00534 -0.00041 0.00067 0.00950 264 12XY 0.00147 0.00034 0.00019 -0.00031 -0.00093 265 12XZ 0.00805 -0.00318 -0.00184 0.00183 -0.00233 266 12YZ 0.00215 -0.00098 -0.00267 -0.00128 -0.04578 267 29 C 1S 0.00664 0.00184 0.00177 0.00031 0.02652 268 2S -0.01269 -0.00493 -0.00315 -0.00174 -0.05819 269 2PX 0.00053 -0.03531 0.01937 -0.02156 0.01632 270 2PY 0.02908 -0.02865 -0.00138 0.02028 0.10600 271 2PZ 0.08708 -0.02921 -0.00580 0.00984 0.07401 272 3S -0.03573 -0.00253 -0.01278 0.00777 -0.14813 273 3PX -0.00139 -0.01668 0.00923 -0.00974 -0.03037 274 3PY 0.01936 -0.02828 -0.00469 0.00721 0.06261 275 3PZ 0.05552 -0.02406 -0.00284 0.00994 0.05988 276 4XX 0.00148 0.00008 0.00033 0.00093 0.00270 277 4YY -0.00072 -0.00119 0.00101 0.00169 0.00680 278 4ZZ 0.00126 -0.00008 -0.00135 -0.00231 -0.00573 279 4XY -0.00295 -0.00074 0.00433 -0.00249 0.00707 280 4XZ -0.00086 0.00068 0.00273 -0.00423 -0.00071 281 4YZ -0.00273 0.00131 -0.00122 0.00257 -0.00105 282 30 H 1S 0.01972 0.00401 -0.02114 0.02855 -0.00123 283 2S 0.02252 0.00612 -0.02464 0.03578 -0.01218 284 31 H 1S 0.02860 -0.00984 0.00148 -0.01639 -0.01989 285 2S 0.02397 -0.00348 0.00437 -0.02902 0.02559 286 32 H 1S -0.00614 -0.01816 0.01773 -0.00467 0.04946 287 2S -0.00503 0.00005 0.02885 -0.00823 0.11709 288 33 H 1S -0.01195 0.00302 0.00939 -0.01050 -0.00899 289 2S -0.02246 0.00609 0.01431 -0.01196 -0.03065 290 34 H 1S -0.00015 0.00447 0.02198 0.03517 -0.01403 291 2S 0.00007 0.00209 0.02821 0.01728 -0.03019 292 35 H 1S 0.01159 -0.00884 0.00932 -0.01149 -0.00979 293 2S 0.01069 -0.00877 0.00859 -0.01099 -0.03395 294 36 H 1S 0.01071 0.01115 0.00678 -0.04768 0.01883 295 2S 0.01210 0.01102 0.00986 -0.05365 0.02232 296 37 H 1S 0.01705 -0.00888 0.00749 -0.01010 -0.01464 297 2S 0.00176 -0.00346 0.01000 -0.01249 -0.03546 298 38 H 1S -0.00857 -0.00565 -0.02706 0.02061 -0.01094 299 2S -0.00778 -0.00685 -0.02763 0.02072 -0.04233 300 39 H 1S -0.00436 -0.00264 0.00283 -0.00872 -0.08739 301 2S -0.01144 0.00263 0.00322 -0.00859 -0.14277 302 40 H 1S 0.00731 -0.00251 0.02428 0.00957 0.02202 303 2S -0.00883 0.00510 0.03456 0.01152 0.05616 76 77 78 79 80 V V V V V Eigenvalues -- -0.19300 -0.06888 -0.04806 -0.03771 -0.02346 1 1 C 1S 0.01250 0.03575 -0.04116 0.02510 -0.05751 2 2S -0.02089 -0.04267 0.06665 -0.04809 0.07577 3 2PX -0.02520 0.10926 0.06442 0.07593 -0.07268 4 2PY 0.01281 0.04398 0.08736 0.13048 0.01180 5 2PZ 0.00979 -0.09626 0.10923 0.00087 0.13117 6 3S -0.16244 -0.59649 0.61400 -0.30568 0.95508 7 3PX -0.05222 0.27498 0.26142 0.18760 -0.28601 8 3PY -0.02576 0.11461 0.16877 0.41628 0.06309 9 3PZ 0.00809 -0.21302 0.41603 -0.08009 0.28005 10 4XX -0.00721 -0.00060 -0.00206 0.00152 -0.00111 11 4YY 0.00052 0.00728 -0.00467 0.00866 -0.00179 12 4ZZ 0.00804 0.00139 0.00215 -0.00422 -0.00646 13 4XY -0.00489 0.00534 -0.00383 0.00583 0.00153 14 4XZ -0.01110 -0.00114 0.00513 -0.00409 -0.00554 15 4YZ 0.00811 -0.00054 -0.00449 -0.00248 -0.00267 16 2 C 1S 0.00354 0.01775 -0.03752 0.03359 0.01536 17 2S -0.02324 -0.03480 0.06062 -0.04072 -0.01697 18 2PX -0.01045 0.03181 -0.04055 0.03454 -0.03350 19 2PY 0.01652 0.00944 0.00452 0.04667 0.07817 20 2PZ -0.02954 0.03368 0.00769 0.05031 0.01505 21 3S 0.04877 -0.23766 0.56424 -0.56854 -0.22811 22 3PX 0.05771 0.07682 -0.16367 0.02816 -0.02359 23 3PY 0.01090 0.01079 -0.09458 0.08730 0.25997 24 3PZ -0.03372 0.12453 -0.04456 0.07799 -0.07044 25 4XX 0.00010 0.00655 -0.00426 0.00676 -0.00025 26 4YY -0.00155 -0.00235 -0.00045 -0.00378 -0.00266 27 4ZZ -0.00079 -0.00248 0.00126 0.00289 0.00624 28 4XY -0.00174 -0.00434 0.00139 0.00082 0.00134 29 4XZ -0.00101 0.00191 0.00735 0.00475 0.00068 30 4YZ 0.00118 0.00237 0.00104 0.00744 -0.00125 31 3 C 1S 0.00423 0.02286 -0.03487 0.01597 0.01144 32 2S 0.00038 -0.03977 0.04322 -0.03566 -0.01719 33 2PX 0.00226 0.02337 0.00358 0.03649 0.00316 34 2PY -0.00073 -0.03157 0.11497 0.00211 0.00263 35 2PZ -0.00426 -0.02474 0.05056 0.05909 0.05850 36 3S -0.10436 -0.27061 0.57854 -0.13802 -0.22277 37 3PX -0.01131 0.02466 0.02131 0.06778 0.11173 38 3PY 0.02908 -0.13885 0.28665 -0.09456 0.00033 39 3PZ -0.00893 -0.04091 0.12683 0.16790 0.08213 40 4XX 0.00042 -0.00114 0.00109 -0.00121 0.00214 41 4YY -0.00020 -0.00077 -0.00171 -0.00036 -0.00212 42 4ZZ 0.00046 0.00559 -0.00606 0.00442 0.00012 43 4XY 0.00096 -0.00215 0.00416 -0.00194 0.00312 44 4XZ -0.00075 0.00361 -0.00423 0.00465 0.00395 45 4YZ 0.00205 -0.00461 -0.00025 -0.00770 0.00171 46 4 C 1S 0.00576 0.01273 -0.02267 0.02632 0.04960 47 2S -0.02225 -0.02064 0.03917 -0.03062 -0.07417 48 2PX -0.01821 -0.00319 0.03816 0.00285 -0.06115 49 2PY 0.02134 -0.01368 0.05117 0.03255 0.04888 50 2PZ -0.02391 0.03275 -0.04651 0.10107 0.08902 51 3S 0.01578 -0.18976 0.28585 -0.44230 -0.70616 52 3PX -0.05582 -0.04132 0.16205 -0.02156 -0.14288 53 3PY -0.00619 0.02251 0.10534 0.12197 0.10354 54 3PZ -0.00438 0.08980 -0.15786 0.19931 0.29725 55 4XX -0.00091 0.00146 -0.00302 0.00010 -0.00373 56 4YY 0.00118 -0.00337 -0.00171 0.00227 0.00321 57 4ZZ -0.00120 0.00243 0.00045 0.00245 0.00931 58 4XY 0.00219 0.00343 -0.00816 0.00262 0.00176 59 4XZ 0.00014 0.00151 -0.00025 -0.00577 0.00027 60 4YZ 0.00045 0.00365 0.00341 -0.00158 0.00231 61 5 C 1S 0.00761 0.01500 0.00879 0.01630 -0.01043 62 2S -0.01418 -0.04557 0.00064 -0.04639 0.01162 63 2PX 0.02315 0.04716 0.01244 -0.01384 -0.02671 64 2PY 0.02714 0.05422 0.02374 0.02799 0.00408 65 2PZ 0.00938 -0.00302 -0.02871 0.00963 0.01715 66 3S -0.07103 -0.05462 -0.15297 -0.05596 0.11269 67 3PX 0.05327 0.06036 -0.05446 -0.13973 -0.03654 68 3PY -0.01568 0.04596 0.04773 -0.00993 -0.06590 69 3PZ -0.04080 -0.07610 -0.07334 -0.01161 0.03618 70 4XX -0.00138 0.00221 -0.00970 0.01068 0.00672 71 4YY 0.00479 0.00482 0.01046 -0.00339 0.00450 72 4ZZ -0.00255 -0.00605 0.00332 -0.00444 -0.01365 73 4XY 0.00481 -0.00011 -0.00000 -0.00283 -0.00217 74 4XZ 0.00778 0.00029 -0.00204 0.00101 -0.00154 75 4YZ 0.01070 -0.00369 0.00340 -0.00060 0.00637 76 6 C 1S -0.00613 0.00880 -0.00127 0.00934 0.00907 77 2S -0.01404 -0.01610 0.02058 0.00284 -0.01443 78 2PX -0.03813 0.04460 0.04572 -0.00344 -0.04177 79 2PY -0.10002 0.03308 -0.02191 0.03199 0.03785 80 2PZ -0.25364 -0.01367 -0.02094 0.00298 -0.03587 81 3S 0.19991 -0.14694 -0.13301 -0.32747 -0.06758 82 3PX -0.06441 0.02194 0.17584 -0.06350 -0.06758 83 3PY -0.13946 0.06705 -0.10464 0.06475 0.05829 84 3PZ -0.25932 0.06921 -0.10308 -0.00014 -0.07564 85 4XX -0.00269 0.00696 0.00906 -0.00412 -0.00023 86 4YY -0.01196 -0.00486 -0.00768 0.00647 0.00139 87 4ZZ 0.01615 -0.00287 -0.00149 -0.00340 0.00040 88 4XY 0.00250 -0.01344 -0.00947 -0.01123 -0.00350 89 4XZ 0.00964 0.00300 -0.01378 0.00360 -0.00273 90 4YZ -0.00315 0.00453 0.00616 -0.00363 -0.01059 91 7 C 1S 0.05732 0.03934 0.04611 -0.00182 -0.04255 92 2S -0.10694 -0.07353 -0.07416 0.01027 0.05362 93 2PX 0.06183 0.08493 0.10063 0.02020 -0.07357 94 2PY 0.21654 0.10071 0.08616 0.10324 -0.02266 95 2PZ 0.43365 -0.16425 -0.06478 -0.02679 0.07831 96 3S -0.51222 -0.58047 -0.68062 -0.06413 0.69616 97 3PX 0.10575 0.33235 0.34122 -0.05154 -0.17557 98 3PY 0.23418 0.33665 0.25943 0.24298 -0.20755 99 3PZ 0.54668 -0.25304 -0.16931 -0.26422 0.25570 100 4XX 0.00425 -0.00048 0.00128 0.00573 -0.00678 101 4YY -0.00317 0.00268 0.00299 -0.00057 -0.00467 102 4ZZ 0.01284 0.00277 0.00586 -0.00346 0.00245 103 4XY 0.00080 0.00955 0.00354 0.00437 0.00467 104 4XZ 0.00277 -0.01381 -0.01147 0.00595 -0.00131 105 4YZ -0.00153 -0.00140 -0.01042 0.00127 0.00740 106 8 C 1S -0.00443 0.04241 0.01880 -0.03685 0.03777 107 2S 0.01081 -0.06284 -0.01212 0.05623 -0.06264 108 2PX -0.04740 -0.01166 -0.01339 0.00822 0.02012 109 2PY 0.01098 0.05100 0.02190 0.03425 0.06858 110 2PZ -0.04379 -0.11679 -0.06114 0.11629 -0.04367 111 3S -0.00575 -0.69864 -0.37468 0.58842 -0.57015 112 3PX -0.06153 -0.06815 -0.06169 -0.00092 0.08996 113 3PY 0.05156 0.13583 -0.08602 -0.01975 0.37449 114 3PZ -0.05110 -0.29899 -0.13939 0.34191 -0.18006 115 4XX 0.00181 -0.00869 -0.00509 0.00089 0.00335 116 4YY 0.00766 -0.00017 0.00166 0.00057 -0.00197 117 4ZZ -0.01046 0.01588 0.00898 -0.00635 0.00312 118 4XY -0.01039 -0.00742 -0.00275 -0.00556 -0.00431 119 4XZ -0.01911 0.00813 0.00476 0.00213 -0.00254 120 4YZ 0.00511 -0.00023 -0.00472 0.00030 0.00549 121 9 C 1S 0.00054 0.03428 -0.00518 -0.01860 0.02807 122 2S -0.00244 -0.06115 -0.00597 0.00350 -0.03141 123 2PX 0.00060 0.00631 0.01429 0.05905 -0.01869 124 2PY 0.00373 -0.01614 0.03085 0.10283 -0.03866 125 2PZ 0.00513 -0.08516 0.00250 0.10548 -0.05264 126 3S -0.00703 -0.40965 0.16403 0.47238 -0.50097 127 3PX -0.00611 -0.04504 0.05343 0.09879 -0.02704 128 3PY 0.02756 -0.16365 -0.04860 0.28285 -0.12268 129 3PZ -0.01502 -0.14243 0.02773 0.13028 -0.15749 130 4XX 0.00076 0.00688 0.00301 0.00269 0.00174 131 4YY 0.00097 -0.00166 -0.00413 0.00238 0.00266 132 4ZZ -0.00188 -0.00142 -0.00015 -0.00985 -0.00047 133 4XY 0.00110 0.00160 0.00759 -0.00250 -0.00271 134 4XZ -0.00107 -0.00066 0.00321 -0.00321 -0.00059 135 4YZ 0.00312 0.00757 0.00265 -0.00776 -0.00040 136 10 C 1S 0.01032 0.01751 0.00899 0.00478 0.00618 137 2S -0.01718 -0.03557 -0.02216 0.01861 -0.00410 138 2PX 0.01843 -0.01578 0.00590 -0.01399 -0.02053 139 2PY 0.00482 0.03651 -0.00568 0.07377 0.06014 140 2PZ -0.01613 0.01929 -0.01963 0.10339 0.09949 141 3S -0.10815 -0.17388 -0.03131 -0.27458 -0.15359 142 3PX 0.02917 0.02147 -0.12596 -0.07066 0.02370 143 3PY 0.00806 0.00004 -0.09428 0.27323 0.16144 144 3PZ -0.01148 0.13905 0.01886 0.19351 0.23196 145 4XX -0.00083 -0.00253 0.00384 0.00039 0.00241 146 4YY 0.00102 0.00700 0.00265 -0.00546 0.00228 147 4ZZ 0.00098 -0.00359 -0.00643 0.00767 -0.00392 148 4XY 0.00174 0.00216 0.00359 0.00311 0.00233 149 4XZ -0.00001 -0.00238 0.00175 0.00609 0.00020 150 4YZ 0.00190 -0.00082 -0.00487 0.00524 0.00011 151 11 C 1S -0.00138 0.00442 -0.03749 0.00490 0.00517 152 2S 0.00321 -0.00968 0.04437 -0.01451 -0.00487 153 2PX -0.00623 -0.02159 -0.02258 0.05421 0.00920 154 2PY -0.00509 -0.03989 0.03768 0.03602 -0.01969 155 2PZ 0.00305 -0.01221 0.02970 0.06308 0.06111 156 3S 0.00902 -0.03916 0.54727 -0.01914 -0.09914 157 3PX -0.00688 -0.09174 -0.00107 0.11784 0.06440 158 3PY -0.00211 -0.07442 0.01775 -0.00116 -0.07363 159 3PZ 0.00661 -0.01336 0.06531 0.11985 0.09085 160 4XX -0.00032 0.00317 -0.00339 0.00077 0.00212 161 4YY 0.00012 -0.00329 -0.00210 -0.00317 -0.00287 162 4ZZ 0.00027 -0.00015 -0.00228 0.00240 0.00173 163 4XY -0.00001 -0.00352 0.00300 0.00077 -0.00242 164 4XZ 0.00014 -0.00286 0.00418 -0.00067 -0.00067 165 4YZ 0.00014 0.00035 -0.00183 -0.00387 -0.00340 166 12 H 1S 0.00050 -0.00513 0.00387 0.00919 0.01357 167 2S -0.00008 0.02045 -0.16039 0.19085 0.23780 168 13 H 1S -0.00137 -0.01369 -0.00094 -0.01702 -0.02065 169 2S -0.00535 0.06164 -0.24483 -0.21986 -0.10843 170 14 C 1S 0.00037 -0.00415 0.00348 0.00885 0.01119 171 2S -0.00149 0.00805 -0.00548 -0.00394 -0.00893 172 2PX 0.00380 -0.02152 0.03610 0.00585 -0.00788 173 2PY -0.00004 0.01284 -0.01341 0.03511 0.01907 174 2PZ -0.00045 0.01037 -0.01767 0.03242 0.03648 175 3S 0.00249 0.05865 -0.05946 -0.21250 -0.19703 176 3PX 0.00374 -0.01785 0.10508 0.00526 0.01020 177 3PY 0.00024 0.02921 -0.02291 0.09678 0.05562 178 3PZ -0.00324 0.01436 -0.05102 0.04238 0.07928 179 4XX 0.00026 0.00135 -0.00095 -0.00239 -0.00141 180 4YY -0.00012 -0.00000 -0.00041 -0.00058 0.00227 181 4ZZ -0.00018 -0.00146 0.00041 0.00466 0.00255 182 4XY 0.00033 0.00117 -0.00143 -0.00180 0.00207 183 4XZ -0.00029 -0.00064 -0.00121 0.00066 -0.00256 184 4YZ -0.00029 -0.00167 0.00184 0.00254 -0.00107 185 15 H 1S 0.00260 0.00862 -0.00440 -0.01551 0.01187 186 2S 0.00385 0.01046 -0.05299 -0.05271 0.07425 187 16 H 1S -0.00135 -0.01101 0.00982 0.01979 0.00071 188 2S -0.00468 -0.02653 0.00452 0.24412 0.18971 189 17 C 1S -0.00119 0.00290 0.00272 -0.00554 0.00124 190 2S 0.00008 -0.00649 -0.00681 -0.00384 -0.00486 191 2PX -0.00405 -0.00845 0.00352 0.01521 -0.03983 192 2PY -0.00587 -0.01353 0.00700 0.04132 -0.02260 193 2PZ 0.00006 -0.00830 0.00216 0.02955 0.01316 194 3S 0.03077 -0.03547 -0.03494 0.17315 0.00152 195 3PX -0.01020 -0.03193 -0.02502 -0.00890 -0.10579 196 3PY -0.01354 -0.03054 0.01498 0.09884 -0.06748 197 3PZ 0.00695 0.00189 0.01831 0.02865 0.01273 198 4XX 0.00025 0.00261 -0.00149 0.00081 0.00250 199 4YY -0.00030 -0.00209 -0.00059 -0.00016 -0.00176 200 4ZZ -0.00013 -0.00015 0.00201 -0.00228 -0.00004 201 4XY 0.00005 -0.00198 0.00065 -0.00097 -0.00371 202 4XZ -0.00083 -0.00208 -0.00062 -0.00318 -0.00253 203 4YZ -0.00058 -0.00085 -0.00057 -0.00010 0.00012 204 18 C 1S 0.00168 0.00714 0.00675 -0.00816 0.02456 205 2S -0.00312 0.00031 -0.00457 0.02030 -0.02692 206 2PX 0.00397 -0.03314 0.01654 -0.00002 -0.03152 207 2PY 0.01118 0.04386 0.00616 0.01393 0.06740 208 2PZ 0.01269 0.02176 -0.00210 0.05372 0.03294 209 3S -0.01599 -0.16468 -0.15738 0.03201 -0.40052 210 3PX -0.01729 -0.06320 0.06052 0.04124 -0.10562 211 3PY -0.01181 0.11892 0.03607 -0.05199 0.16317 212 3PZ 0.03321 0.04514 -0.01304 0.12861 0.11112 213 4XX 0.00055 0.00201 -0.00176 -0.00651 0.00402 214 4YY 0.00021 0.00184 0.00186 0.00362 0.00261 215 4ZZ -0.00112 -0.00072 0.00027 0.00115 0.00013 216 4XY 0.00045 0.00086 -0.00064 -0.00109 0.00389 217 4XZ 0.00007 0.00382 0.00144 -0.00298 0.00086 218 4YZ -0.00060 -0.00135 0.00310 0.00383 -0.00274 219 19 H 1S -0.00931 -0.01112 0.01367 0.02280 -0.00908 220 2S 0.01558 0.10679 0.09690 0.17684 0.28499 221 20 H 1S 0.00033 0.00701 -0.00233 -0.01163 0.00104 222 2S -0.01412 0.13996 0.04160 -0.20089 0.22654 223 21 H 1S -0.00479 -0.01383 0.00111 -0.01083 -0.01628 224 2S -0.01014 0.01597 -0.00073 -0.20048 0.00746 225 22 H 1S 0.00161 0.01695 -0.00480 0.01096 0.01983 226 2S 0.00209 0.06363 0.02005 0.05410 0.13870 227 23 H 1S 0.00969 -0.00945 -0.02400 0.05073 0.00241 228 2S 0.03574 0.13529 -0.07181 0.54372 0.35504 229 24 H 1S 0.00939 0.01897 0.01958 -0.05471 -0.01020 230 2S 0.00756 0.41013 -0.00270 -0.66674 0.31657 231 25 H 1S 0.06824 0.00022 -0.00759 0.01222 0.02148 232 2S 0.19066 0.26638 0.02949 0.01660 0.46173 233 26 H 1S -0.07990 0.06109 0.03285 -0.02039 0.00717 234 2S -0.13223 0.75291 0.35686 -0.63849 0.42102 235 27 H 1S 0.02426 0.06510 0.07690 0.00627 -0.03637 236 2S 0.11606 0.96737 0.90448 0.29240 -0.70859 237 28 Br 1S -0.00636 0.00563 -0.00074 0.00450 0.00276 238 2S 0.04279 -0.04159 0.00473 -0.03462 -0.02089 239 3S -0.05250 0.05827 -0.00535 0.05087 0.03004 240 4S -0.08998 0.07673 -0.01091 0.06037 0.03759 241 5S 0.02573 -0.36667 -0.00537 -0.28278 -0.17354 242 6S 0.30449 0.61230 0.05602 0.43016 0.28245 243 7PX 0.01814 -0.00245 -0.00646 0.00538 -0.01060 244 7PY -0.01106 -0.00043 0.00377 -0.00485 -0.00500 245 7PZ 0.04645 -0.00490 -0.00058 0.00556 0.00955 246 8PX -0.05623 0.00756 0.02014 -0.01695 0.03329 247 8PY 0.03430 0.00130 -0.01189 0.01518 0.01576 248 8PZ -0.14414 0.01543 0.00200 -0.01739 -0.03012 249 9PX 0.10296 -0.01112 -0.03979 0.04323 -0.07812 250 9PY -0.06485 -0.00091 0.03132 -0.03284 -0.03981 251 9PZ 0.26855 -0.04063 -0.01506 0.03856 0.07766 252 10PX 0.18435 -0.04160 -0.04535 -0.02985 -0.00763 253 10PY -0.05946 -0.00316 -0.02664 -0.03411 0.01561 254 10PZ 0.46585 0.05156 0.07745 -0.03357 -0.02485 255 11XX 0.01568 -0.04015 -0.00390 -0.02777 -0.01334 256 11YY -0.00860 -0.02210 -0.00221 -0.02338 -0.01647 257 11ZZ 0.06415 -0.01998 0.01319 -0.02173 -0.01295 258 11XY 0.00572 -0.00498 -0.01456 -0.00453 0.00021 259 11XZ 0.02332 -0.00389 -0.00509 0.01103 -0.00740 260 11YZ -0.00221 0.00352 -0.00178 0.00904 0.01186 261 12XX 0.00366 -0.09579 0.01162 -0.10130 -0.06804 262 12YY 0.06913 -0.15589 0.00129 -0.11459 -0.05507 263 12ZZ -0.09590 -0.14950 -0.03177 -0.13376 -0.07813 264 12XY -0.01364 0.01462 0.05113 0.01131 -0.00093 265 12XZ -0.04999 0.01119 0.01621 -0.04788 0.03028 266 12YZ 0.01487 -0.01194 0.00426 -0.04271 -0.04300 267 29 C 1S -0.01237 0.05033 -0.07193 -0.03111 0.01085 268 2S 0.02258 -0.07448 0.10443 0.02885 -0.01001 269 2PX -0.01094 0.01355 -0.05834 0.06396 -0.07213 270 2PY -0.04303 0.00071 0.08079 -0.00613 0.10565 271 2PZ -0.06670 -0.07061 0.02095 0.10674 -0.02212 272 3S 0.08956 -0.64978 0.99512 0.56356 -0.12893 273 3PX -0.00613 -0.00196 -0.10525 0.14523 -0.13757 274 3PY -0.05457 -0.02634 0.22172 -0.03209 0.37172 275 3PZ -0.10767 -0.21728 0.05581 0.21870 -0.18492 276 4XX -0.00182 0.00673 -0.00734 -0.00247 -0.00231 277 4YY -0.00284 0.00108 -0.00430 -0.00539 -0.00055 278 4ZZ 0.00235 0.00315 -0.00072 -0.00024 0.00711 279 4XY -0.00438 -0.00122 -0.00180 0.00124 -0.00943 280 4XZ -0.00123 -0.00103 0.00109 0.00241 0.00674 281 4YZ 0.00049 -0.00241 0.00132 -0.00201 -0.00085 282 30 H 1S 0.00741 0.01580 -0.02136 -0.01762 -0.00464 283 2S 0.02897 0.31321 -0.63469 -0.12483 -0.25821 284 31 H 1S -0.00088 0.01102 0.00374 0.00315 0.05424 285 2S 0.04533 0.46327 -0.22420 -0.49884 0.56147 286 32 H 1S -0.02296 0.00223 -0.02655 -0.00620 -0.04801 287 2S -0.05683 0.17769 -0.46674 -0.22156 -0.20712 288 33 H 1S -0.00332 0.01096 0.01871 0.00552 0.03714 289 2S -0.01390 0.16363 -0.14107 0.47623 0.71657 290 34 H 1S 0.00949 -0.00667 -0.03675 0.01664 0.00760 291 2S 0.04097 0.08176 -0.42612 0.11649 0.28962 292 35 H 1S 0.00528 -0.01118 -0.00946 -0.02918 -0.00794 293 2S 0.02875 0.18904 -0.52413 -0.10476 -0.06586 294 36 H 1S -0.00804 0.03100 -0.02177 0.03827 -0.00333 295 2S -0.01355 0.20792 -0.25883 0.38731 0.21549 296 37 H 1S -0.00160 -0.00876 0.02106 0.02625 0.01313 297 2S -0.02758 0.18616 -0.18043 0.44131 0.30057 298 38 H 1S 0.00800 0.02856 -0.02238 0.01155 -0.00482 299 2S 0.05113 0.22094 -0.38859 0.21808 -0.08915 300 39 H 1S 0.05694 -0.00504 -0.02967 -0.02000 -0.03675 301 2S 0.19007 0.31849 -0.71789 -0.14313 -0.74223 302 40 H 1S -0.02342 0.03150 -0.01844 0.05066 0.00101 303 2S -0.03834 0.59301 -0.00737 0.76033 -0.49802 81 82 83 84 85 V V V V V Eigenvalues -- -0.01771 -0.01399 -0.00560 0.00262 0.00322 1 1 C 1S -0.00204 0.01256 -0.00170 0.03435 0.02670 2 2S -0.00449 -0.03790 0.00119 -0.06754 -0.04520 3 2PX -0.02803 0.02883 0.05567 -0.05996 0.00845 4 2PY 0.03850 0.14444 0.07056 0.05727 0.03554 5 2PZ -0.00599 0.07137 -0.05882 -0.02970 -0.01292 6 3S 0.06877 -0.05086 -0.01318 -0.38812 -0.48827 7 3PX -0.15653 0.16645 0.03967 0.00098 -0.03498 8 3PY 0.19522 0.44627 0.25210 0.19805 0.10218 9 3PZ -0.10855 0.23787 -0.28061 -0.29922 -0.09728 10 4XX 0.00144 0.00322 0.00015 0.00807 -0.00065 11 4YY 0.00269 0.00681 0.00548 0.00618 0.00005 12 4ZZ -0.00535 -0.00750 -0.00501 -0.00798 0.00130 13 4XY 0.00623 0.00663 0.00906 -0.00265 0.00413 14 4XZ -0.00617 -0.00305 -0.00855 -0.00121 -0.00484 15 4YZ 0.00059 -0.00927 0.00144 0.00565 0.00609 16 2 C 1S 0.03501 0.00507 0.03661 -0.00449 0.03609 17 2S -0.03833 -0.00078 -0.03186 0.03826 -0.04703 18 2PX 0.01979 0.01403 0.02273 -0.09944 0.02359 19 2PY 0.06704 0.02714 0.04706 0.06795 0.01680 20 2PZ 0.01306 0.02849 -0.04859 0.04400 0.03743 21 3S -0.63398 -0.08302 -0.70233 -0.17847 -0.56462 22 3PX 0.03346 -0.09663 -0.05596 -0.50994 0.09651 23 3PY 0.18527 0.01978 0.13002 0.07963 -0.10274 24 3PZ 0.00160 0.00731 -0.07123 0.17562 0.12427 25 4XX -0.00085 0.00427 0.00089 -0.01195 0.00440 26 4YY 0.00201 -0.00751 0.00177 0.00646 0.00584 27 4ZZ 0.00503 0.00611 0.00428 0.00376 -0.00250 28 4XY -0.00067 0.00452 -0.00252 0.00831 0.00188 29 4XZ 0.00255 0.00638 0.00675 0.00632 -0.00052 30 4YZ 0.00213 0.00781 0.00421 0.00450 0.00400 31 3 C 1S 0.02909 0.01290 0.02455 -0.05288 -0.04007 32 2S -0.05051 -0.03915 -0.04750 0.04221 0.04671 33 2PX -0.04149 0.04137 -0.03743 -0.01363 -0.01722 34 2PY -0.01740 0.01175 -0.00796 0.07604 0.05480 35 2PZ 0.03507 0.06192 -0.01801 0.05571 0.05684 36 3S -0.42330 -0.04787 -0.25129 1.05474 0.63656 37 3PX -0.09732 0.19568 -0.14679 0.03924 -0.14311 38 3PY -0.13676 -0.06220 -0.17042 -0.06759 0.19475 39 3PZ 0.08899 0.22006 0.05052 0.17722 0.19738 40 4XX 0.00266 -0.00536 0.00417 0.00633 -0.00619 41 4YY -0.00437 0.00262 -0.00268 -0.01699 0.00033 42 4ZZ 0.00359 0.00479 0.00252 0.00047 -0.00271 43 4XY 0.00134 0.00003 -0.00109 0.00847 -0.00436 44 4XZ 0.00084 -0.00095 -0.00535 -0.00098 -0.00617 45 4YZ -0.00085 -0.00539 -0.00018 -0.00810 -0.00118 46 4 C 1S -0.01262 0.04674 -0.05106 -0.01249 -0.00170 47 2S 0.00704 -0.05291 0.07284 0.03973 -0.01042 48 2PX 0.00913 -0.05281 0.02328 0.06791 -0.01740 49 2PY 0.07298 -0.00348 0.06332 0.17624 -0.05001 50 2PZ -0.00492 -0.06390 -0.12785 -0.00503 -0.08217 51 3S 0.19835 -0.73308 0.77475 0.06677 0.13960 52 3PX -0.09265 -0.11571 0.04868 0.44409 -0.09154 53 3PY 0.21432 0.05373 0.23234 0.49893 -0.25668 54 3PZ 0.04678 -0.26944 -0.47153 -0.10510 -0.19712 55 4XX -0.00958 -0.00185 -0.00856 -0.00176 0.00256 56 4YY -0.00267 0.00332 -0.00354 -0.00916 0.00280 57 4ZZ 0.00788 0.00768 0.00098 0.00763 -0.00656 58 4XY 0.00617 -0.00045 0.00305 -0.01064 -0.00076 59 4XZ 0.00294 -0.00426 0.00215 -0.00176 -0.00497 60 4YZ 0.00421 -0.00332 -0.00603 0.00401 -0.00509 61 5 C 1S 0.02919 -0.00846 -0.03965 -0.01882 0.01492 62 2S -0.05653 0.00506 0.05440 0.01452 -0.02079 63 2PX -0.06001 -0.05765 0.01080 0.00899 -0.02641 64 2PY 0.07182 0.00188 0.01755 0.06866 -0.04562 65 2PZ 0.02556 -0.05587 0.03693 0.05626 -0.06393 66 3S -0.26594 0.14828 0.64363 0.39105 -0.18921 67 3PX -0.06171 -0.38102 -0.14667 -0.21349 0.09457 68 3PY 0.11953 0.12938 0.17750 0.15853 -0.05805 69 3PZ 0.00231 -0.15424 0.22117 0.24178 -0.14379 70 4XX 0.00815 0.00833 0.00669 0.00462 0.00305 71 4YY 0.00510 -0.00747 -0.00567 0.00053 -0.00940 72 4ZZ -0.00833 -0.00346 -0.00560 -0.00660 0.00915 73 4XY -0.00533 -0.00170 0.00203 0.00328 -0.00489 74 4XZ -0.00689 -0.00992 0.00232 -0.01053 -0.00871 75 4YZ -0.00045 0.01340 -0.00255 -0.00940 0.00911 76 6 C 1S -0.01661 0.02641 0.02901 -0.03863 0.01741 77 2S 0.02285 -0.01457 -0.01613 0.09292 -0.06752 78 2PX 0.00388 -0.07533 -0.03183 -0.02861 -0.07667 79 2PY 0.02079 0.03120 0.12131 0.00823 0.00938 80 2PZ -0.01403 -0.04473 -0.03447 -0.06317 -0.03968 81 3S 0.35137 -0.62198 -0.61416 0.22121 0.07352 82 3PX 0.00476 -0.19437 -0.15089 -0.04389 -0.17208 83 3PY 0.00831 0.11592 0.17660 -0.18359 0.08984 84 3PZ 0.02459 -0.16585 -0.10487 0.00991 0.02024 85 4XX -0.00347 -0.01349 0.00525 -0.01249 -0.00798 86 4YY 0.00543 0.01657 0.01033 0.00985 0.00887 87 4ZZ -0.00258 0.00393 -0.00930 -0.00753 0.00236 88 4XY -0.00888 -0.00714 -0.00619 0.01126 -0.00096 89 4XZ 0.00577 -0.00755 0.00375 0.00575 0.00740 90 4YZ 0.00021 -0.00405 -0.00916 0.00855 -0.00019 91 7 C 1S -0.01211 -0.02274 -0.05673 0.01946 -0.02654 92 2S 0.02701 0.03389 0.09494 -0.03212 0.04835 93 2PX -0.00861 -0.03410 -0.02900 -0.08432 -0.04194 94 2PY -0.00477 0.11058 0.06962 -0.04332 0.00162 95 2PZ 0.01663 0.04980 0.07378 0.03437 -0.02347 96 3S 0.11618 0.39945 0.86826 -0.34166 0.35305 97 3PX 0.08480 -0.22089 -0.17153 -0.30296 -0.01600 98 3PY -0.13780 0.42755 0.20298 -0.15594 -0.08410 99 3PZ 0.10650 -0.02308 0.03644 0.01694 0.03956 100 4XX -0.01239 0.00945 0.00114 0.00856 -0.00060 101 4YY 0.00537 -0.01803 -0.01214 -0.00193 -0.00549 102 4ZZ 0.00400 0.00532 0.00393 -0.00499 0.00019 103 4XY -0.00049 -0.00910 0.00654 -0.00476 0.00592 104 4XZ 0.00238 -0.00241 -0.00249 0.01365 0.00502 105 4YZ 0.00032 -0.00207 0.00310 -0.00114 0.00900 106 8 C 1S 0.04609 -0.04886 0.00041 -0.02361 0.04816 107 2S -0.07540 0.06763 -0.01078 0.02870 -0.06533 108 2PX -0.02307 0.01889 0.05454 -0.08921 -0.03734 109 2PY -0.05432 -0.11113 0.03742 0.00338 0.17043 110 2PZ 0.04115 -0.07369 -0.00750 0.00949 0.06189 111 3S -0.62784 0.85856 0.05409 0.38293 -0.79334 112 3PX -0.10163 0.12788 0.24289 -0.29019 -0.06318 113 3PY -0.05791 -0.31966 0.17192 0.08421 0.54272 114 3PZ 0.07250 -0.18642 -0.10321 0.11316 0.12557 115 4XX 0.00337 0.00056 0.00667 -0.00639 0.00141 116 4YY 0.00704 -0.00888 -0.00800 0.00299 0.00755 117 4ZZ -0.00346 0.00156 -0.00086 -0.00064 -0.00021 118 4XY 0.00338 -0.00478 -0.01035 0.00384 -0.00322 119 4XZ -0.00452 -0.00369 0.00208 -0.00795 0.00137 120 4YZ -0.00037 -0.00255 0.00363 0.00137 0.00472 121 9 C 1S -0.02237 0.01919 0.03866 -0.00626 -0.01051 122 2S 0.04167 -0.00198 -0.03650 0.01852 0.01463 123 2PX -0.04643 0.02531 0.05696 -0.07287 -0.01619 124 2PY -0.03268 -0.02550 -0.01123 0.00326 0.04693 125 2PZ 0.04460 -0.09841 -0.02114 -0.07237 0.02368 126 3S 0.21461 -0.36125 -0.71169 0.03083 0.10436 127 3PX -0.19861 0.17909 0.21597 -0.19248 0.05307 128 3PY -0.01766 -0.03120 -0.13059 -0.04934 0.09644 129 3PZ 0.22761 -0.25336 -0.03932 -0.27156 0.08506 130 4XX -0.00233 -0.00289 -0.00179 0.00409 0.00510 131 4YY -0.00372 0.00854 -0.00020 -0.00029 -0.01134 132 4ZZ 0.00280 0.00319 0.00745 -0.00351 0.00302 133 4XY -0.01312 0.00633 0.00385 -0.00332 -0.00177 134 4XZ 0.00399 0.00653 0.00455 -0.00619 -0.00353 135 4YZ 0.00651 0.00113 -0.00314 0.00503 -0.00116 136 10 C 1S -0.03820 -0.03993 -0.02356 0.01825 -0.02691 137 2S 0.06792 0.04377 0.01884 -0.02009 0.03969 138 2PX -0.08438 -0.07369 0.02405 -0.02562 -0.06503 139 2PY -0.03249 -0.01667 -0.03936 0.08382 -0.01733 140 2PZ -0.04602 -0.04540 -0.00800 0.02218 -0.07229 141 3S 0.45151 0.63207 0.48883 -0.24729 0.39705 142 3PX -0.16091 -0.29311 0.09390 -0.02097 -0.00608 143 3PY -0.19583 -0.06402 -0.19092 0.42249 -0.11801 144 3PZ -0.17573 -0.07730 0.08065 0.12253 -0.25765 145 4XX -0.01449 0.00227 -0.00063 -0.00530 0.00278 146 4YY 0.00734 -0.00336 0.00216 0.00307 -0.00407 147 4ZZ 0.00196 -0.00790 -0.00506 0.00855 -0.00223 148 4XY 0.00728 -0.00455 -0.00614 -0.01006 -0.00042 149 4XZ 0.00202 0.00442 -0.00542 -0.00269 0.00171 150 4YZ -0.00224 -0.00113 0.00673 -0.00532 -0.00789 151 11 C 1S -0.05291 0.03099 -0.03000 0.01917 0.02153 152 2S 0.07819 -0.04245 0.03562 -0.02149 -0.01613 153 2PX -0.03424 0.00920 0.01362 -0.02232 -0.01283 154 2PY 0.11201 -0.05669 0.10622 0.01606 -0.04039 155 2PZ -0.01502 -0.04850 -0.01911 -0.11070 -0.03503 156 3S 0.75162 -0.41094 0.47719 -0.37034 -0.33089 157 3PX -0.16626 0.03062 0.11035 -0.04622 -0.05014 158 3PY 0.34228 -0.19367 0.20276 -0.08265 0.06107 159 3PZ 0.04252 -0.05804 -0.07132 -0.40636 -0.06842 160 4XX 0.00083 0.00403 -0.00661 0.00333 0.00460 161 4YY -0.00611 0.00200 0.00163 -0.00483 0.00469 162 4ZZ -0.00465 0.00104 -0.00082 0.00358 -0.00299 163 4XY 0.00423 -0.00027 0.00507 0.00243 -0.00141 164 4XZ -0.00749 -0.00118 0.00391 0.00073 -0.00038 165 4YZ 0.00757 -0.00129 -0.00650 0.00401 0.00398 166 12 H 1S -0.05407 0.00967 0.02511 -0.02505 -0.01796 167 2S -0.67633 0.21579 -0.25279 -0.21006 -0.02219 168 13 H 1S 0.01200 0.00468 -0.01123 0.03122 0.01636 169 2S -0.41174 0.39061 -0.27923 0.52210 0.24228 170 14 C 1S -0.05054 -0.01266 0.02372 0.00959 -0.00816 171 2S 0.06955 0.01737 -0.03978 -0.01166 0.00365 172 2PX 0.01608 -0.03268 0.04161 -0.01513 -0.04678 173 2PY 0.00876 -0.03083 -0.02244 0.01269 -0.01266 174 2PZ -0.09867 -0.03084 -0.00167 0.02236 -0.02048 175 3S 0.77429 0.15430 -0.29275 -0.19768 0.18476 176 3PX 0.03855 -0.03170 0.12078 -0.03078 -0.09858 177 3PY 0.02326 -0.03107 -0.07420 0.05946 -0.08502 178 3PZ -0.28896 -0.08729 0.04666 0.13583 -0.02861 179 4XX -0.00272 -0.00224 -0.00168 0.00174 -0.00020 180 4YY -0.00354 -0.00058 0.00687 0.00239 0.00014 181 4ZZ -0.00360 -0.00039 -0.00203 -0.00346 -0.00115 182 4XY -0.00859 -0.00057 -0.00127 -0.00151 0.00228 183 4XZ 0.00337 0.00096 -0.00271 0.00632 -0.00201 184 4YZ 0.00171 0.00036 -0.00012 -0.00158 -0.00184 185 15 H 1S -0.03481 -0.00893 0.00639 -0.00460 0.01241 186 2S -0.49927 0.00227 0.10699 0.06586 0.10909 187 16 H 1S 0.00675 -0.00436 -0.00243 -0.00982 -0.01061 188 2S -0.49951 -0.23265 0.12899 0.14275 -0.19652 189 17 C 1S -0.04890 0.01754 0.01485 0.00337 0.00287 190 2S 0.07391 -0.02209 -0.01700 0.00299 -0.00543 191 2PX 0.06641 -0.00640 -0.05466 -0.01011 -0.03221 192 2PY -0.00810 -0.02751 -0.01268 0.01183 -0.01490 193 2PZ 0.03277 -0.05951 -0.02384 -0.04930 0.01201 194 3S 0.68749 -0.25041 -0.27422 -0.11702 -0.03236 195 3PX 0.22918 -0.06769 -0.13617 0.00484 -0.08663 196 3PY -0.02478 -0.06116 -0.10994 0.01738 -0.03902 197 3PZ 0.13446 -0.11808 -0.07112 -0.13092 0.06920 198 4XX -0.00780 0.00004 0.00032 0.00090 0.00527 199 4YY -0.00189 0.00413 -0.00231 0.00070 -0.00455 200 4ZZ 0.00061 0.00008 0.00542 -0.00069 0.00067 201 4XY 0.00608 -0.00077 0.00064 0.00156 -0.00052 202 4XZ 0.00417 0.00231 -0.00016 -0.00164 -0.00075 203 4YZ -0.00414 0.00190 0.00229 -0.00067 0.00135 204 18 C 1S -0.04261 -0.01106 0.04603 -0.01661 0.02749 205 2S 0.06130 0.00127 -0.06298 0.02399 -0.01935 206 2PX -0.01664 0.01732 0.00414 -0.02072 -0.04407 207 2PY -0.06827 -0.08909 0.07872 0.01599 0.08032 208 2PZ -0.00689 -0.09143 -0.01309 0.01911 0.00880 209 3S 0.64414 0.20872 -0.70090 0.19968 -0.47675 210 3PX -0.14200 0.07071 -0.03858 -0.00502 -0.10512 211 3PY -0.24911 -0.21721 0.26763 0.05431 0.10306 212 3PZ -0.00592 -0.19414 0.01005 0.03521 0.03567 213 4XX 0.00381 -0.00115 0.00070 0.00057 0.00039 214 4YY -0.00482 -0.00427 0.00283 -0.00253 0.00857 215 4ZZ -0.00593 -0.00089 0.00659 -0.00203 0.00144 216 4XY 0.00714 -0.00310 0.00047 -0.00222 0.00143 217 4XZ -0.00456 -0.00040 0.00036 0.00370 0.00014 218 4YZ 0.00321 0.00108 -0.00117 -0.00464 -0.00095 219 19 H 1S -0.00172 -0.00724 0.00664 -0.02658 0.00475 220 2S -0.42507 -0.45607 0.42665 -0.08507 0.27713 221 20 H 1S -0.04237 0.00333 0.00974 0.02749 -0.00270 222 2S -0.42506 -0.03509 0.45945 -0.00175 0.28873 223 21 H 1S 0.01600 0.01591 0.01007 -0.00706 -0.00304 224 2S -0.37536 0.35097 0.26602 0.12434 0.01604 225 22 H 1S -0.03841 -0.00228 -0.00437 0.00532 0.01677 226 2S -0.50486 0.00692 0.14834 0.00094 0.14972 227 23 H 1S 0.00855 -0.04835 0.00370 0.00730 -0.04291 228 2S -0.45884 -0.53117 -0.14095 0.41467 -0.54905 229 24 H 1S 0.01779 0.05008 0.01529 -0.00112 -0.02443 230 2S -0.13359 0.51362 0.30763 0.24273 -0.24504 231 25 H 1S 0.02766 -0.02329 0.00829 0.01030 0.05562 232 2S 0.25143 -0.78768 0.07813 0.04805 1.05092 233 26 H 1S -0.01301 0.00815 -0.00243 -0.00701 -0.00762 234 2S 0.11468 -0.05979 0.05764 -0.18911 0.11822 235 27 H 1S -0.02488 -0.00563 -0.00580 -0.02405 -0.03197 236 2S -0.18848 -0.06241 -0.40117 -0.24931 -0.27808 237 28 Br 1S 0.00030 -0.00482 -0.00275 0.00215 0.00295 238 2S -0.00232 0.03678 0.02015 -0.01621 -0.02266 239 3S 0.00342 -0.05353 -0.02790 0.02308 0.03321 240 4S 0.00414 -0.06527 -0.03807 0.03002 0.03983 241 5S -0.03451 0.31664 0.18405 -0.09385 -0.21312 242 6S 0.07763 -0.52540 -0.31144 0.10289 0.36011 243 7PX 0.00512 0.01067 0.00293 0.00581 0.00490 244 7PY -0.00078 -0.00415 0.00581 0.00023 0.00447 245 7PZ -0.00037 0.00207 -0.00150 0.00068 -0.00719 246 8PX -0.01610 -0.03362 -0.00914 -0.01819 -0.01530 247 8PY 0.00249 0.01309 -0.01820 -0.00088 -0.01409 248 8PZ 0.00110 -0.00649 0.00471 -0.00221 0.02250 249 9PX 0.03835 0.08242 0.01849 0.03857 0.03160 250 9PY -0.00831 -0.03369 0.04057 0.01042 0.03390 251 9PZ 0.00067 0.01444 -0.00936 0.00964 -0.04813 252 10PX 0.00899 0.01014 0.01266 0.03640 0.02618 253 10PY 0.01964 -0.00398 0.01215 -0.05691 0.01533 254 10PZ 0.00280 -0.00461 -0.04269 -0.04825 -0.03809 255 11XX 0.00153 0.02773 0.00010 -0.00986 -0.01384 256 11YY -0.00486 0.02482 0.03175 -0.00768 -0.01102 257 11ZZ -0.00163 0.02393 0.00744 -0.01560 -0.02259 258 11XY 0.00785 -0.00639 0.00589 0.00887 0.02091 259 11XZ -0.00860 0.00063 -0.00165 0.01881 -0.00865 260 11YZ 0.00055 -0.01103 -0.00676 -0.00482 -0.00285 261 12XX -0.02530 0.11868 0.12247 -0.03405 -0.08808 262 12YY -0.00046 0.12721 -0.00433 -0.05412 -0.09784 263 12ZZ -0.00985 0.12520 0.07318 -0.02231 -0.06339 264 12XY -0.02688 0.02722 -0.02266 -0.03306 -0.08046 265 12XZ 0.03386 0.00062 0.00410 -0.06791 0.03324 266 12YZ 0.00046 0.03702 0.02529 0.01396 0.01378 267 29 C 1S 0.00770 -0.01282 -0.00734 0.05429 -0.03446 268 2S -0.01846 0.01575 0.03253 -0.07769 0.05160 269 2PX 0.00486 -0.09370 0.15889 -0.03681 -0.16014 270 2PY 0.06765 -0.04430 0.08931 0.06616 -0.06481 271 2PZ -0.04236 -0.01292 0.03707 0.02435 0.01370 272 3S -0.10297 0.14294 0.03087 -0.77075 0.43349 273 3PX -0.01598 -0.13857 0.51037 -0.01073 -0.53971 274 3PY 0.15916 -0.07925 0.28737 0.09556 -0.27224 275 3PZ -0.19683 -0.02441 0.22559 0.18978 0.08211 276 4XX -0.00258 0.00477 0.00185 0.00679 0.00118 277 4YY -0.00065 -0.00882 -0.00318 -0.00232 0.00093 278 4ZZ 0.00315 -0.00071 0.00095 0.00362 -0.00844 279 4XY 0.00229 0.00119 -0.00319 0.00175 0.01373 280 4XZ 0.00768 0.00608 0.00264 -0.00120 -0.00422 281 4YZ -0.00496 -0.00210 0.00882 0.00582 -0.00390 282 30 H 1S -0.02605 -0.01619 0.02821 0.01328 -0.04581 283 2S -0.06974 -0.25775 0.30422 0.14955 -0.66724 284 31 H 1S 0.04104 0.02163 -0.01042 -0.01477 -0.03414 285 2S 0.39554 0.02278 -0.22927 0.24933 -0.23498 286 32 H 1S -0.00457 -0.00289 -0.03557 0.01916 0.07810 287 2S -0.12930 0.16122 -0.66439 0.25272 0.57514 288 33 H 1S 0.03571 0.00768 -0.01558 0.04559 -0.03268 289 2S 0.16520 0.06099 -0.60190 0.31534 -0.42672 290 34 H 1S -0.00476 0.01191 -0.00813 -0.07320 0.02993 291 2S -0.21993 0.29987 -0.58695 -0.91476 0.25487 292 35 H 1S -0.00590 -0.00835 0.01369 -0.05339 -0.01669 293 2S 0.12659 -0.09667 0.23274 -0.66191 -0.52738 294 36 H 1S 0.00815 0.01464 -0.00983 0.00888 -0.01065 295 2S 0.26638 0.34887 0.06386 -0.19321 -0.18923 296 37 H 1S 0.01972 0.03645 0.02688 0.04412 0.01688 297 2S 0.41595 0.18931 0.26680 0.28918 0.35226 298 38 H 1S -0.01034 -0.00899 -0.01069 -0.06614 0.01168 299 2S 0.15363 -0.05322 0.19334 -0.66784 0.28098 300 39 H 1S -0.01847 -0.05730 0.00428 0.01897 0.02008 301 2S -0.09931 -0.54218 0.08725 0.28947 0.19095 302 40 H 1S 0.03433 0.05871 0.04223 0.01132 0.00967 303 2S 0.15195 0.62366 0.42169 0.36366 0.30646 86 87 88 89 90 V V V V V Eigenvalues -- 0.00793 0.01109 0.01946 0.02629 0.03257 1 1 C 1S -0.07779 0.01862 0.01062 -0.04471 0.02434 2 2S 0.09583 -0.02698 0.02149 0.04798 -0.01655 3 2PX 0.08812 0.01658 -0.04621 0.03495 0.12175 4 2PY 0.03299 0.06767 0.10777 -0.05880 -0.12747 5 2PZ 0.02673 -0.00923 0.00109 -0.09602 -0.14683 6 3S 1.35280 -0.27438 -0.40721 0.76587 -0.54145 7 3PX 0.33524 0.21921 -0.39921 0.12086 0.35109 8 3PY 0.24565 0.15860 0.46685 -0.05228 -0.61674 9 3PZ 0.00998 0.07449 0.15289 -0.30734 -0.21853 10 4XX -0.00772 0.00312 0.01683 -0.00593 -0.01269 11 4YY 0.00258 -0.00009 -0.01412 -0.00324 0.00124 12 4ZZ -0.00561 0.00152 0.00150 0.00114 0.01791 13 4XY 0.00762 0.00844 0.02067 0.01424 0.00039 14 4XZ -0.00111 -0.00083 -0.01074 -0.00439 0.00117 15 4YZ -0.00454 -0.00530 0.00193 0.00813 0.00263 16 2 C 1S -0.01311 -0.06267 0.02710 0.03686 -0.02605 17 2S 0.02742 0.07775 -0.03604 -0.03850 0.01709 18 2PX -0.05803 -0.07461 0.00665 -0.05934 0.07042 19 2PY 0.02982 -0.07013 -0.03951 -0.01017 -0.04227 20 2PZ -0.07818 -0.12881 -0.12909 -0.08899 -0.02275 21 3S 0.17917 1.11121 -0.38727 -0.59432 0.54283 22 3PX -0.26354 -0.29367 0.05883 -0.24527 0.31247 23 3PY 0.21231 -0.23248 -0.35372 -0.11212 -0.16539 24 3PZ -0.36007 -0.30937 -0.33281 -0.33635 -0.01548 25 4XX 0.00188 0.00032 0.00751 0.00536 0.00406 26 4YY -0.00665 -0.00712 -0.00377 0.00880 0.00825 27 4ZZ 0.00237 -0.00372 0.00244 -0.00795 -0.01605 28 4XY -0.00461 0.00134 0.00192 -0.00556 -0.01051 29 4XZ 0.00964 0.00296 -0.00443 0.00873 0.00328 30 4YZ -0.00094 -0.00205 -0.00805 -0.00324 0.00033 31 3 C 1S 0.04559 -0.00517 -0.04928 -0.02518 -0.00907 32 2S -0.06276 -0.01013 0.05611 0.01592 0.01557 33 2PX 0.01353 -0.01352 0.02096 -0.04918 -0.01496 34 2PY -0.00570 0.04047 -0.01608 0.05445 0.09870 35 2PZ -0.00601 -0.07373 -0.09784 0.08841 0.07606 36 3S -0.65053 0.26323 0.80516 0.55793 0.08751 37 3PX 0.10909 0.14241 -0.04246 -0.22860 -0.08110 38 3PY -0.07594 0.13169 -0.07080 0.06040 0.36299 39 3PZ 0.03712 -0.09536 -0.25168 0.41356 0.23560 40 4XX 0.00751 -0.00282 -0.00917 0.00843 0.00025 41 4YY -0.00021 0.00499 0.00323 -0.00512 0.00065 42 4ZZ 0.00137 -0.00362 -0.00394 -0.00729 -0.00488 43 4XY 0.00126 0.00249 0.00219 -0.00740 0.00268 44 4XZ 0.00697 0.00052 0.00088 0.00994 0.00268 45 4YZ -0.00038 0.00031 0.01009 -0.00254 -0.00428 46 4 C 1S -0.02708 0.01926 0.02922 -0.04134 0.01782 47 2S 0.04157 -0.02272 -0.05642 0.07197 -0.03182 48 2PX 0.01276 -0.04054 0.03110 0.02805 -0.00169 49 2PY -0.01952 -0.03738 0.00546 -0.01348 0.08246 50 2PZ 0.04680 -0.11693 -0.06009 0.09791 0.04824 51 3S 0.33926 -0.25508 -0.25546 0.49609 -0.16010 52 3PX 0.03506 0.04203 0.18176 0.12639 -0.11635 53 3PY 0.03506 -0.10352 -0.06055 -0.00854 0.25279 54 3PZ 0.13427 -0.31842 0.00838 0.11667 0.17383 55 4XX -0.00726 -0.00513 0.01819 -0.00346 -0.00791 56 4YY -0.00281 0.00407 -0.01183 -0.00108 0.00147 57 4ZZ 0.00619 0.00495 -0.00128 -0.00124 0.01127 58 4XY -0.00121 -0.00146 -0.00059 0.00498 -0.00229 59 4XZ 0.00069 -0.00243 0.00680 -0.01359 -0.00182 60 4YZ 0.00489 -0.00521 0.00544 0.00419 0.00548 61 5 C 1S 0.00061 -0.00553 0.03797 0.04631 -0.01092 62 2S -0.01383 0.00382 -0.05789 -0.07041 0.02678 63 2PX 0.02831 -0.12820 0.13197 -0.00362 -0.02421 64 2PY -0.01617 0.00512 0.22999 -0.02298 -0.01568 65 2PZ 0.04126 -0.01556 -0.04428 0.09045 0.01376 66 3S 0.06271 0.04386 -0.52939 -0.68486 0.00138 67 3PX -0.08310 -0.34435 0.44042 -0.14267 0.07298 68 3PY -0.14598 0.03254 0.42902 0.07340 -0.04983 69 3PZ 0.26980 0.01217 -0.07362 0.12760 -0.07667 70 4XX -0.00254 0.01504 0.00934 0.00981 -0.00809 71 4YY 0.00388 -0.01115 0.00108 -0.00310 0.01558 72 4ZZ -0.00235 -0.00424 -0.00676 0.00097 -0.01078 73 4XY -0.01070 0.00326 0.01752 -0.00854 -0.01265 74 4XZ 0.00799 -0.00394 -0.01397 0.01039 -0.00114 75 4YZ -0.00755 0.00879 -0.00390 -0.00679 0.00653 76 6 C 1S 0.04248 0.04470 -0.07767 0.04048 0.04592 77 2S -0.06557 -0.05410 0.11159 -0.06154 -0.09729 78 2PX 0.04483 -0.08842 0.04618 0.03518 0.06188 79 2PY -0.00501 0.11245 0.13717 0.03563 0.02234 80 2PZ -0.05730 -0.09131 -0.05671 -0.06792 -0.03489 81 3S -0.77894 -0.90368 1.39872 -0.57937 -0.64626 82 3PX 0.29804 -0.18600 -0.10964 0.18915 0.18172 83 3PY -0.23627 0.32138 0.34072 0.16208 0.30834 84 3PZ -0.11335 -0.18755 -0.14381 -0.20529 -0.03151 85 4XX 0.01670 -0.01195 -0.00975 0.01407 0.01319 86 4YY -0.00198 0.02164 -0.00311 -0.00119 -0.00920 87 4ZZ -0.01178 -0.00235 0.00153 -0.00242 0.00114 88 4XY -0.01457 -0.00334 -0.03028 -0.01596 0.00169 89 4XZ 0.00067 -0.00163 0.01129 0.00781 0.00305 90 4YZ 0.00465 -0.00489 0.01088 0.00315 -0.00117 91 7 C 1S -0.00690 -0.03469 -0.02765 -0.06229 -0.02977 92 2S 0.00881 0.06238 0.04975 0.09549 0.01997 93 2PX 0.06491 -0.10350 0.11774 0.09524 0.05965 94 2PY 0.07789 0.08234 -0.01168 0.06126 -0.00941 95 2PZ -0.05133 -0.05215 0.00203 0.07133 -0.03781 96 3S 0.02661 0.56029 0.50556 1.04061 0.62472 97 3PX 0.22187 -0.57963 0.65236 0.34621 0.02324 98 3PY 0.07881 0.41396 -0.11213 0.17389 0.18204 99 3PZ -0.24521 -0.10195 0.03662 0.18301 -0.05700 100 4XX -0.00538 0.01444 -0.02446 -0.01635 -0.00415 101 4YY 0.00084 -0.02107 0.01283 -0.00383 -0.00310 102 4ZZ 0.00187 0.00192 0.00797 0.01289 -0.00119 103 4XY 0.02095 0.00666 0.00512 0.00978 0.00825 104 4XZ 0.00562 0.00371 0.00132 -0.01333 -0.00301 105 4YZ -0.00382 0.00511 -0.00552 -0.00835 0.00432 106 8 C 1S 0.01185 -0.01656 0.03353 0.04170 -0.01703 107 2S -0.01966 -0.00276 -0.01848 -0.06939 0.01482 108 2PX 0.03191 -0.04780 0.12480 0.15314 0.10492 109 2PY 0.09795 0.07053 -0.03788 -0.07734 -0.02625 110 2PZ 0.15403 -0.01146 0.04547 -0.04676 0.05167 111 3S -0.15731 0.48571 -0.73184 -0.53725 0.36694 112 3PX 0.14833 -0.10679 0.45726 0.63232 0.36737 113 3PY 0.26333 0.33930 -0.17806 -0.23630 0.04922 114 3PZ 0.60485 -0.11977 0.27653 -0.26380 0.15208 115 4XX 0.00184 -0.00374 0.01212 0.01614 0.00568 116 4YY 0.01445 -0.00155 0.00298 -0.01181 0.00063 117 4ZZ -0.01417 0.00234 -0.00829 0.00113 -0.01019 118 4XY -0.01429 -0.01340 0.00180 -0.00931 -0.00904 119 4XZ 0.00071 -0.00085 -0.00129 0.00257 0.00675 120 4YZ 0.00350 0.00695 -0.00198 -0.00460 0.00551 121 9 C 1S 0.02263 0.02473 -0.02996 0.03279 0.02952 122 2S -0.04523 -0.02574 0.04876 -0.03819 -0.03109 123 2PX -0.00831 0.02817 -0.02090 0.04340 0.06647 124 2PY 0.02890 0.08823 -0.00717 -0.05346 0.02780 125 2PZ 0.05392 -0.02437 -0.00891 0.03769 0.02046 126 3S -0.20482 -0.37582 0.41770 -0.60881 -0.41565 127 3PX -0.22619 0.10518 -0.08411 0.08565 0.18837 128 3PY 0.20124 0.29227 -0.02899 -0.03914 0.13514 129 3PZ 0.07120 -0.12411 0.05946 0.05117 0.12498 130 4XX 0.00760 0.00695 -0.01344 -0.00789 0.00019 131 4YY -0.00539 0.00343 0.00593 0.01497 0.00244 132 4ZZ 0.00071 -0.00568 0.00570 -0.00408 0.00535 133 4XY -0.01189 -0.00401 -0.00216 -0.00758 -0.00371 134 4XZ -0.01194 -0.00360 -0.00131 0.01334 -0.00162 135 4YZ -0.00703 0.00374 -0.00737 -0.00272 -0.01099 136 10 C 1S -0.01059 -0.00642 -0.01699 -0.01284 -0.02961 137 2S 0.00694 0.01538 0.03375 0.01039 0.05019 138 2PX 0.02262 -0.05623 0.03227 0.00309 0.01564 139 2PY -0.05440 0.06029 0.05155 0.01983 -0.06345 140 2PZ -0.04352 0.04048 0.00849 0.16194 0.02027 141 3S 0.24128 -0.01505 0.13656 0.10882 0.37302 142 3PX 0.06611 -0.20169 0.16067 -0.18072 0.00264 143 3PY 0.06872 0.14111 0.15607 -0.00528 -0.18090 144 3PZ -0.19511 0.13651 -0.11827 0.51633 -0.03441 145 4XX 0.00183 -0.00442 -0.01062 -0.00819 0.01012 146 4YY -0.01203 0.00019 0.00654 -0.00100 -0.00898 147 4ZZ 0.00834 0.00271 0.00204 0.00448 -0.00555 148 4XY 0.00299 0.00161 -0.01907 0.00776 0.00735 149 4XZ -0.01314 0.00917 0.01010 -0.00258 0.00026 150 4YZ 0.00221 0.00416 0.00460 0.00822 -0.00061 151 11 C 1S 0.01847 0.00193 0.05107 0.01942 -0.02260 152 2S -0.01155 -0.01118 -0.08064 -0.02824 0.03212 153 2PX -0.02090 0.02077 0.07428 -0.03076 0.04183 154 2PY -0.05450 0.03573 0.07965 -0.04913 0.01985 155 2PZ -0.08972 0.04153 0.02352 -0.02551 0.05074 156 3S -0.41233 0.08570 -0.69909 -0.27319 0.36702 157 3PX 0.07602 -0.01674 0.03998 -0.17901 0.28181 158 3PY -0.07968 0.02237 0.22845 -0.24280 0.00464 159 3PZ -0.29545 0.16105 0.08521 -0.02606 0.10424 160 4XX -0.00877 0.00569 0.01007 -0.00142 -0.00731 161 4YY 0.00827 -0.00669 -0.00041 -0.00371 0.00556 162 4ZZ 0.00409 0.00204 -0.00398 0.00896 0.00018 163 4XY 0.00292 -0.00223 0.00158 -0.00033 0.00314 164 4XZ 0.00267 -0.00512 -0.00487 -0.00930 0.00439 165 4YZ 0.00465 -0.00237 0.00113 -0.00366 -0.00688 166 12 H 1S -0.00743 0.00043 -0.01866 0.00553 0.02618 167 2S -0.04762 0.05389 0.19673 0.17420 0.13783 168 13 H 1S 0.04953 -0.02225 -0.01048 -0.00444 -0.01099 169 2S 0.55324 -0.25880 -0.00621 0.27727 -0.31146 170 14 C 1S 0.02783 -0.02278 -0.00253 -0.01701 0.03202 171 2S -0.04559 0.04163 -0.00187 0.03083 -0.03686 172 2PX -0.03154 0.01179 -0.06072 -0.02004 0.02078 173 2PY -0.04793 0.07278 0.04075 0.02997 -0.04159 174 2PZ -0.04523 -0.00520 0.04963 -0.03044 -0.02601 175 3S -0.38979 0.27770 0.06799 0.21522 -0.52713 176 3PX -0.15652 0.04990 -0.22670 -0.11661 0.08900 177 3PY -0.15777 0.20514 0.13750 0.20279 -0.10923 178 3PZ -0.06755 -0.13701 0.19033 -0.14115 -0.11167 179 4XX 0.00528 -0.00379 -0.00816 -0.00051 -0.00109 180 4YY 0.00156 -0.00534 0.00709 -0.00005 0.00260 181 4ZZ -0.00369 0.00503 0.00124 -0.00234 0.00402 182 4XY 0.00334 -0.00369 0.00035 -0.00129 -0.00044 183 4XZ 0.00115 0.00183 0.00295 0.00346 -0.00435 184 4YZ -0.00411 0.00090 0.00048 -0.00558 0.00154 185 15 H 1S 0.02475 -0.02819 -0.00759 0.00479 -0.00012 186 2S 0.40152 -0.41572 0.05645 -0.15828 0.19480 187 16 H 1S -0.02437 0.01784 0.01628 -0.02419 0.01180 188 2S -0.14379 -0.00187 0.21854 -0.20526 0.06547 189 17 C 1S -0.00259 -0.03341 -0.00966 -0.04611 0.01029 190 2S 0.00450 0.02577 0.01794 0.05893 -0.02010 191 2PX -0.01908 0.03739 -0.02024 0.00506 -0.02341 192 2PY -0.00926 0.04497 -0.02147 -0.05435 0.00228 193 2PZ -0.04228 0.06851 -0.00144 -0.00959 -0.01799 194 3S 0.03347 0.69039 0.09926 0.75945 -0.11220 195 3PX 0.00008 0.00419 0.01796 0.01233 -0.09915 196 3PY 0.06645 0.08791 -0.08526 -0.15701 0.05878 197 3PZ -0.14210 0.21483 -0.02817 -0.07850 -0.08611 198 4XX 0.00670 -0.00020 0.00010 -0.00528 0.00229 199 4YY -0.00541 -0.00323 0.00347 -0.00003 -0.00107 200 4ZZ -0.00130 -0.00294 -0.00530 -0.00211 0.00081 201 4XY 0.00532 -0.00329 -0.00155 -0.00189 0.00275 202 4XZ -0.00024 -0.00780 0.00691 0.00130 0.00077 203 4YZ 0.00333 -0.00494 0.00449 -0.00069 0.00413 204 18 C 1S -0.02841 -0.01362 0.02295 0.00769 -0.01042 205 2S 0.02844 0.03507 -0.03939 -0.01610 0.00388 206 2PX -0.09520 -0.02268 -0.00483 -0.00522 -0.02127 207 2PY 0.03562 0.02404 -0.02343 -0.05045 -0.01728 208 2PZ -0.02218 0.09343 -0.08519 -0.00375 -0.05838 209 3S 0.52357 0.07046 -0.22722 -0.07021 0.22601 210 3PX -0.26821 -0.14402 -0.06277 -0.19875 -0.06568 211 3PY 0.00318 -0.15130 -0.03158 -0.13438 -0.08955 212 3PZ -0.02836 0.25336 -0.25343 0.12313 -0.14791 213 4XX -0.00806 -0.00073 0.00397 0.00249 -0.00698 214 4YY 0.00219 0.00591 -0.00058 -0.00371 0.00170 215 4ZZ 0.00128 -0.00619 0.00072 0.00141 0.00237 216 4XY 0.00209 0.00344 -0.00088 0.01205 -0.00057 217 4XZ -0.00305 0.00278 -0.00420 -0.00968 -0.00395 218 4YZ -0.00693 0.00509 -0.00706 -0.00008 -0.00077 219 19 H 1S -0.02336 0.01625 -0.02842 0.00514 -0.00096 220 2S -0.32249 0.16303 -0.23625 -0.03534 -0.29270 221 20 H 1S 0.00289 -0.02141 0.01700 -0.04103 -0.00535 222 2S 0.04859 -0.30073 0.34419 -0.12829 0.03942 223 21 H 1S 0.01249 -0.03997 0.01566 -0.00350 0.02382 224 2S 0.15036 -0.59035 0.05443 -0.11980 0.19031 225 22 H 1S 0.00788 0.02491 -0.00608 -0.00852 -0.00438 226 2S -0.01369 -0.04550 -0.07867 -0.40528 0.09951 227 23 H 1S -0.00414 0.03382 0.02320 0.03331 -0.01791 228 2S -0.23533 0.26924 0.07787 0.47003 -0.29438 229 24 H 1S -0.04434 -0.01161 -0.01303 0.00671 -0.01850 230 2S -0.14399 -0.05988 -0.18116 0.18200 -0.10557 231 25 H 1S 0.08445 0.05302 -0.00188 -0.03480 0.02682 232 2S 0.69870 0.28166 0.00368 -0.37142 -0.10201 233 26 H 1S -0.07411 0.01282 -0.04890 0.02044 -0.05153 234 2S -0.69380 0.06183 -0.17805 0.41929 -0.39662 235 27 H 1S 0.05024 -0.02110 0.02113 0.03216 0.00053 236 2S 0.43868 -0.28056 0.18125 -0.13447 -0.01909 237 28 Br 1S -0.00384 -0.00182 -0.00230 0.00008 -0.00015 238 2S 0.02857 0.01500 0.01827 0.00088 0.00197 239 3S -0.04039 -0.02373 -0.02801 -0.00391 -0.00408 240 4S -0.05249 -0.02340 -0.02973 0.00294 -0.00185 241 5S 0.31200 0.19581 0.23385 0.04475 0.00956 242 6S -0.58192 -0.39987 -0.43092 -0.09303 -0.01643 243 7PX 0.00064 -0.01111 -0.00227 -0.00680 0.00545 244 7PY 0.00828 0.00443 0.00066 -0.00610 -0.00503 245 7PZ -0.00425 -0.00693 -0.00022 0.00515 -0.00170 246 8PX -0.00206 0.03503 0.00695 0.02119 -0.01721 247 8PY -0.02609 -0.01400 -0.00222 0.01914 0.01599 248 8PZ 0.01334 0.02170 0.00058 -0.01624 0.00532 249 9PX 0.00844 -0.08819 -0.00675 -0.03982 0.04496 250 9PY 0.06478 0.03561 0.01334 -0.04368 -0.04743 251 9PZ -0.02913 -0.04652 0.00444 0.04034 -0.01081 252 10PX -0.04649 0.01587 -0.07128 -0.07149 -0.02520 253 10PY -0.03157 -0.01394 -0.04381 -0.00989 0.05975 254 10PZ -0.07671 -0.07357 -0.01088 0.02934 -0.01297 255 11XX 0.02996 0.01335 0.02622 -0.01065 0.00794 256 11YY 0.02024 0.02966 0.00026 0.00313 0.00426 257 11ZZ 0.00684 -0.00849 0.01367 0.01394 -0.00558 258 11XY -0.00628 -0.01661 -0.00774 -0.01536 -0.00114 259 11XZ -0.00396 0.00911 -0.01335 -0.00951 -0.00222 260 11YZ -0.00143 -0.01330 -0.00226 -0.00292 0.00164 261 12XX 0.07235 0.08163 0.04049 0.07397 -0.01825 262 12YY 0.11234 0.01801 0.14181 0.02339 0.01200 263 12ZZ 0.15062 0.14548 0.10329 -0.01109 0.03422 264 12XY 0.01901 0.06465 0.02927 0.05600 0.00226 265 12XZ 0.00193 -0.03372 0.03894 0.02867 0.00244 266 12YZ -0.00371 0.05053 0.00673 0.01539 -0.00162 267 29 C 1S 0.03083 0.02033 0.01786 -0.00728 0.00610 268 2S -0.04940 -0.02773 -0.03099 -0.00652 -0.00653 269 2PX 0.00387 -0.00692 -0.02923 -0.02689 -0.04755 270 2PY -0.04549 -0.00296 0.05977 -0.09429 0.17340 271 2PZ -0.00066 -0.06121 -0.00533 0.09588 -0.12536 272 3S -0.50303 -0.38653 -0.22434 0.18661 -0.05296 273 3PX 0.12064 0.01524 -0.14683 0.03795 -0.33319 274 3PY -0.04516 -0.01761 0.16317 -0.38908 0.44523 275 3PZ -0.06036 -0.17856 -0.05236 0.28181 -0.28882 276 4XX 0.00107 0.00523 -0.00347 0.01006 -0.00630 277 4YY 0.00171 -0.00247 -0.00636 -0.00358 0.00243 278 4ZZ -0.00148 -0.00117 0.01306 -0.00990 0.00821 279 4XY -0.01089 0.00297 -0.00239 -0.00110 0.00804 280 4XZ 0.00438 0.00282 -0.00469 -0.00619 0.00622 281 4YZ 0.00056 -0.00055 -0.00443 0.00522 -0.00520 282 30 H 1S 0.03559 -0.00307 -0.00488 0.03147 -0.07183 283 2S 0.37554 0.15460 -0.10445 0.08948 -0.55191 284 31 H 1S 0.01794 0.01210 0.04403 -0.06668 0.04285 285 2S 0.12494 0.35018 0.37226 -0.66544 0.85237 286 32 H 1S -0.01933 0.01267 -0.03111 0.02712 0.01690 287 2S 0.15221 0.13962 -0.06510 0.34649 -0.19113 288 33 H 1S 0.02941 0.00267 0.00675 0.01893 0.06134 289 2S 0.05159 -0.32837 0.05876 0.00576 0.54943 290 34 H 1S -0.02803 0.00572 -0.02890 0.01099 -0.02193 291 2S -0.15584 0.16819 -0.05224 -0.23282 -0.16039 292 35 H 1S 0.00556 0.01834 0.04364 -0.03956 -0.04410 293 2S 0.28120 0.04194 0.10603 -0.63227 -0.60182 294 36 H 1S 0.01566 -0.01510 -0.04557 0.02511 0.00872 295 2S 0.33013 -0.30057 -0.60812 0.07181 0.02103 296 37 H 1S -0.00490 -0.02713 -0.03700 -0.01977 -0.03699 297 2S -0.27126 -0.95935 -0.42723 -0.18978 -0.37426 298 38 H 1S 0.00036 -0.01147 0.02571 0.01272 0.04374 299 2S -0.25761 -0.49015 0.42522 0.12668 0.29464 300 39 H 1S -0.02701 0.00175 -0.03149 0.03729 0.07432 301 2S -0.64913 -0.01012 -0.31565 0.16895 0.97783 302 40 H 1S 0.03144 0.03656 0.05636 0.01051 -0.02292 303 2S -0.07083 0.41577 0.43242 -0.22160 -0.09948 91 92 93 94 95 V V V V V Eigenvalues -- 0.04000 0.04299 0.04540 0.04858 0.05283 1 1 C 1S 0.01878 -0.01776 -0.00963 0.02729 0.01542 2 2S -0.02841 0.01067 0.02497 -0.06126 0.00784 3 2PX 0.02777 -0.07038 -0.00174 -0.02570 -0.02778 4 2PY -0.00900 -0.03686 0.04481 -0.09619 -0.07329 5 2PZ 0.01026 -0.03658 0.01399 -0.02999 0.00213 6 3S -0.25829 0.38339 0.06252 -0.22576 -0.47129 7 3PX 0.27886 -0.09083 -0.21362 -0.05263 -0.15094 8 3PY -0.12127 -0.08856 0.08689 -0.05168 -0.47705 9 3PZ 0.05921 -0.09360 0.24719 -0.09468 0.22502 10 4XX 0.00166 -0.00042 -0.00817 0.00326 -0.00467 11 4YY 0.00357 -0.00040 -0.00655 0.00064 0.00183 12 4ZZ -0.00189 -0.00372 0.01371 -0.00103 0.00630 13 4XY -0.00205 0.00338 0.00345 0.01015 -0.00683 14 4XZ 0.00694 -0.00169 -0.00671 0.00216 -0.00379 15 4YZ -0.00367 0.00053 -0.00342 -0.00850 -0.00401 16 2 C 1S -0.05498 -0.00428 0.00650 -0.03263 -0.04163 17 2S 0.06023 0.00859 -0.01709 0.05532 0.02336 18 2PX -0.07775 -0.04947 0.20759 -0.01349 0.05432 19 2PY 0.03759 0.02034 -0.08989 -0.07111 0.04652 20 2PZ 0.05072 -0.02983 -0.15696 -0.06669 0.02045 21 3S 0.99700 0.07313 -0.04505 0.42617 0.85351 22 3PX -0.21818 -0.18162 0.78828 -0.24235 0.47081 23 3PY 0.12509 0.17051 -0.23031 -0.18907 0.27093 24 3PZ 0.19622 -0.13709 -0.54619 -0.33519 0.21452 25 4XX -0.00264 -0.00495 0.00961 0.00506 -0.00502 26 4YY -0.00374 0.00192 -0.00506 -0.00550 -0.00198 27 4ZZ -0.00376 0.00307 -0.00055 -0.00617 -0.00046 28 4XY 0.00063 -0.00232 -0.00860 0.00698 -0.00780 29 4XZ -0.00044 0.00396 -0.00326 0.00381 -0.00505 30 4YZ 0.00108 -0.00180 -0.00460 0.00424 -0.00002 31 3 C 1S 0.00952 0.04111 0.02320 0.01250 0.03299 32 2S -0.00873 -0.05683 -0.01573 -0.03680 -0.01089 33 2PX 0.02056 -0.02971 0.01953 0.13989 0.01330 34 2PY 0.02661 -0.02770 0.01782 -0.09542 0.04927 35 2PZ -0.00647 0.05704 -0.03591 0.14797 -0.04833 36 3S -0.18975 -0.69653 -0.48731 -0.10377 -0.76250 37 3PX 0.19779 -0.03683 -0.08054 0.57459 0.06341 38 3PY 0.11085 -0.14834 0.26241 -0.42061 0.30790 39 3PZ -0.11634 0.15718 -0.16688 0.61228 -0.31829 40 4XX 0.00022 0.00669 -0.00331 -0.00181 -0.00027 41 4YY -0.00084 -0.00234 0.01452 -0.00073 0.00599 42 4ZZ 0.00142 0.00196 -0.00811 0.00516 0.00016 43 4XY 0.00699 -0.00052 0.00069 0.00495 0.00684 44 4XZ -0.00049 -0.00033 0.00538 0.01070 -0.01082 45 4YZ -0.00419 0.00384 0.00612 -0.00836 0.00380 46 4 C 1S 0.02526 -0.00627 -0.00811 0.03565 0.04297 47 2S -0.02761 0.01787 -0.03125 -0.02552 -0.04221 48 2PX -0.01573 -0.06503 0.06876 0.07571 -0.06535 49 2PY 0.00796 0.01926 0.08898 0.05261 0.10819 50 2PZ 0.03659 -0.01359 0.04331 0.04172 -0.01358 51 3S -0.58659 -0.01921 0.41838 -0.70822 -0.68933 52 3PX -0.14666 -0.26256 0.12637 0.39025 -0.36620 53 3PY -0.00614 0.13991 0.13914 0.31676 0.32180 54 3PZ 0.20178 -0.10004 0.37716 -0.21410 -0.11665 55 4XX -0.00447 -0.00918 -0.00145 0.00421 -0.00071 56 4YY 0.00613 -0.00815 0.00554 -0.00280 0.00578 57 4ZZ -0.00068 0.01573 -0.00685 0.00621 0.00524 58 4XY -0.00266 0.00432 0.00391 -0.00506 -0.00499 59 4XZ 0.00438 0.00415 0.00043 -0.01440 0.00909 60 4YZ 0.00293 0.00492 0.00148 0.00131 -0.01204 61 5 C 1S 0.00919 -0.00841 0.01703 0.03308 -0.08907 62 2S -0.00637 -0.01154 -0.01359 -0.05820 0.12671 63 2PX 0.02280 -0.03310 -0.02309 -0.03093 -0.06280 64 2PY -0.00671 0.12099 -0.02988 -0.01319 0.10275 65 2PZ -0.06949 0.07318 0.03921 -0.06181 0.01730 66 3S -0.22503 0.31453 -0.41388 -0.40660 1.45146 67 3PX 0.22062 0.01065 0.08760 -0.46838 -0.16264 68 3PY 0.04263 0.50898 -0.25181 0.06909 0.29049 69 3PZ -0.46620 0.16447 0.14472 -0.22877 0.10380 70 4XX 0.00032 0.00804 -0.00209 0.00346 0.00322 71 4YY 0.00162 -0.00107 0.00015 -0.00344 -0.01059 72 4ZZ -0.00125 -0.00874 0.00162 0.00432 -0.00314 73 4XY 0.00697 -0.01034 -0.00018 0.00176 0.00547 74 4XZ 0.00201 -0.01279 -0.00662 -0.00599 -0.00438 75 4YZ 0.00299 -0.00083 -0.00075 -0.00211 0.00236 76 6 C 1S -0.00464 -0.00807 0.01690 -0.02147 0.02311 77 2S 0.01486 0.00943 -0.03946 0.02242 -0.01718 78 2PX 0.02235 0.01037 0.02481 0.01370 -0.04150 79 2PY -0.00208 -0.02492 0.02175 0.01126 0.04310 80 2PZ -0.00595 -0.04295 0.00620 -0.00937 -0.00877 81 3S 0.06137 0.17625 -0.18009 0.31840 -0.46875 82 3PX 0.20527 0.07472 -0.14288 0.03046 -0.39946 83 3PY 0.18574 -0.03559 0.21347 -0.11745 0.12971 84 3PZ -0.00770 -0.11415 -0.07528 0.02818 -0.05510 85 4XX -0.00336 -0.00461 0.00137 -0.01156 -0.00382 86 4YY -0.00571 0.00916 0.00293 0.00380 0.01016 87 4ZZ 0.00950 -0.00405 -0.00120 0.00099 -0.00190 88 4XY 0.00132 -0.00289 -0.00044 -0.00219 0.00837 89 4XZ -0.00572 0.00386 0.00434 -0.00062 0.00153 90 4YZ 0.00062 0.01070 -0.00398 0.00668 -0.01172 91 7 C 1S -0.00934 0.00534 0.00505 -0.00953 -0.01362 92 2S 0.01773 0.00086 -0.01568 0.01019 0.01302 93 2PX 0.06826 0.07544 -0.12514 -0.01097 0.03737 94 2PY -0.03901 0.03260 0.02745 -0.04388 0.10759 95 2PZ 0.03100 -0.00642 -0.01194 0.01846 -0.04173 96 3S 0.18553 -0.14857 0.01044 0.16877 0.30400 97 3PX -0.01109 0.28520 -0.46604 0.16979 0.11204 98 3PY -0.04578 0.14205 0.15677 -0.17516 0.38024 99 3PZ -0.01222 -0.00527 -0.09263 0.12935 -0.08466 100 4XX 0.00095 -0.00658 0.00929 -0.00776 0.00876 101 4YY 0.00339 -0.00062 -0.00350 0.00031 -0.01095 102 4ZZ -0.00239 0.00821 -0.00508 0.00377 0.00192 103 4XY -0.00326 -0.00389 0.00395 -0.00399 -0.00433 104 4XZ 0.00234 -0.00253 0.00207 0.00177 -0.00328 105 4YZ -0.00117 -0.01072 0.00118 -0.00242 0.00956 106 8 C 1S -0.01474 -0.00282 -0.02789 0.05603 0.02088 107 2S 0.01543 0.01814 0.02016 -0.04586 0.00765 108 2PX 0.01888 0.05513 -0.06787 -0.03530 -0.02220 109 2PY -0.00888 -0.07349 -0.01706 0.03848 0.08602 110 2PZ 0.09572 -0.00796 -0.01220 -0.06484 -0.12513 111 3S 0.33652 -0.03931 0.58553 -1.07390 -0.56096 112 3PX 0.17908 0.07367 -0.24980 -0.08783 0.04874 113 3PY -0.01031 -0.31137 0.00830 -0.06317 0.03258 114 3PZ 0.22508 -0.05675 -0.02127 -0.07120 -0.38294 115 4XX 0.00918 0.00402 -0.01510 0.00227 0.00524 116 4YY -0.00636 -0.00190 0.00364 0.00707 -0.00180 117 4ZZ -0.00287 -0.00206 0.00607 0.00251 0.00440 118 4XY 0.00124 0.00332 -0.00251 0.00725 -0.00357 119 4XZ 0.00394 0.00318 -0.00281 -0.00547 0.00444 120 4YZ -0.00237 -0.00575 -0.00304 -0.00571 0.00334 121 9 C 1S -0.00198 -0.02672 -0.00807 -0.05663 -0.02772 122 2S 0.02282 0.03490 0.01241 0.05929 0.04565 123 2PX 0.03974 0.06629 -0.05299 -0.07897 0.06147 124 2PY -0.00153 -0.00434 0.05938 -0.00988 0.09972 125 2PZ -0.01674 0.07869 -0.07837 -0.02693 0.03754 126 3S -0.24552 0.48376 0.09662 0.99783 0.40232 127 3PX 0.20186 0.34055 -0.12100 -0.16551 0.15594 128 3PY -0.13360 -0.18495 0.10613 0.02833 0.20556 129 3PZ 0.07719 0.24779 -0.31624 -0.03034 0.24379 130 4XX -0.01043 0.00664 0.01034 -0.00164 -0.00869 131 4YY -0.00331 -0.00504 -0.00454 -0.00341 0.00235 132 4ZZ 0.00967 -0.00389 -0.00738 -0.00226 0.00356 133 4XY 0.00250 0.00231 -0.00086 0.00430 0.00728 134 4XZ 0.00142 0.01302 -0.00100 -0.00246 -0.00014 135 4YZ -0.00042 -0.00835 0.00896 0.00419 0.00002 136 10 C 1S 0.01948 -0.05489 0.03614 0.00013 -0.01679 137 2S -0.03458 0.09240 -0.03266 -0.00896 0.02021 138 2PX 0.03730 -0.05989 -0.07201 -0.08112 0.06754 139 2PY -0.00677 -0.01026 0.08071 0.04100 0.09425 140 2PZ 0.05451 0.01857 0.03505 -0.09464 -0.03786 141 3S -0.21945 0.73311 -0.71091 0.12714 0.34414 142 3PX 0.20770 -0.05800 -0.21186 -0.41078 0.32669 143 3PY -0.25257 -0.25617 0.26047 0.25675 0.26764 144 3PZ 0.28757 0.04202 0.13176 -0.24796 -0.16743 145 4XX 0.00231 -0.00902 -0.00478 -0.00340 0.00173 146 4YY 0.00954 0.00309 0.00473 -0.00060 -0.00629 147 4ZZ -0.00740 -0.00303 0.00646 0.00268 0.00290 148 4XY -0.00398 0.00101 0.00027 -0.00625 -0.01166 149 4XZ 0.00304 -0.00109 -0.00088 0.00805 0.00179 150 4YZ 0.00184 -0.00512 -0.01159 -0.00769 0.00153 151 11 C 1S -0.02277 0.00202 -0.03094 0.00005 0.03661 152 2S 0.02980 -0.00276 0.03561 -0.01664 -0.02346 153 2PX -0.06041 -0.02485 -0.09498 0.01419 0.05670 154 2PY 0.08628 0.03390 0.03206 0.03097 0.04646 155 2PZ -0.01229 -0.07728 -0.14508 0.03228 -0.06654 156 3S 0.44724 0.12748 0.49880 0.04603 -0.73773 157 3PX -0.37980 -0.13261 -0.31877 0.08925 0.25028 158 3PY 0.42980 0.18177 -0.01014 -0.12617 0.20781 159 3PZ 0.05230 -0.24217 -0.47961 0.05115 -0.27070 160 4XX -0.00253 0.01125 0.00200 0.00843 -0.00365 161 4YY 0.00232 -0.00032 -0.00923 -0.00771 0.00772 162 4ZZ -0.00405 -0.00694 0.00029 -0.00427 0.00351 163 4XY -0.00813 -0.00049 0.00039 0.00308 0.01163 164 4XZ -0.01211 -0.00451 -0.00088 0.00614 -0.00297 165 4YZ 0.00117 -0.00187 0.00551 0.00293 0.00329 166 12 H 1S -0.01961 -0.02115 -0.04751 -0.01272 -0.02886 167 2S -0.56351 -0.37822 -0.83240 0.07349 -0.02948 168 13 H 1S -0.02763 -0.02202 0.02169 0.01164 0.04242 169 2S -0.39151 0.04744 0.34273 -0.01830 0.36536 170 14 C 1S -0.06621 -0.00534 -0.01644 0.00493 0.01651 171 2S 0.05533 0.01998 0.01585 0.00033 -0.02541 172 2PX -0.03309 0.01596 0.00648 0.00102 -0.01168 173 2PY -0.01812 0.06253 0.01453 0.02656 -0.01446 174 2PZ -0.08856 0.08683 -0.01964 0.03164 -0.05258 175 3S 1.33736 -0.01172 0.26408 -0.16411 -0.22164 176 3PX -0.11583 0.15557 0.13601 0.12835 -0.20753 177 3PY -0.23382 0.11230 -0.02487 0.10895 0.01688 178 3PZ -0.08979 0.27075 0.11416 0.07585 -0.05936 179 4XX -0.00281 -0.00061 0.00453 -0.00746 0.00071 180 4YY 0.00506 0.00013 0.00016 0.00180 0.00686 181 4ZZ -0.01371 0.00131 -0.00935 0.00572 -0.00459 182 4XY 0.00227 -0.00242 -0.00285 -0.00081 -0.00328 183 4XZ -0.00393 0.00253 0.00463 0.00017 0.00774 184 4YZ -0.00775 0.00399 -0.00063 0.00368 -0.00248 185 15 H 1S 0.03632 -0.01987 -0.00164 -0.01623 -0.00963 186 2S -0.18786 -0.19082 -0.15195 -0.09216 0.12097 187 16 H 1S -0.05765 0.01752 -0.02330 0.02955 -0.00514 188 2S -0.82603 0.41007 -0.10411 0.26082 -0.07421 189 17 C 1S 0.01108 0.02045 0.03410 0.01399 -0.04426 190 2S 0.00693 -0.02480 -0.02516 -0.01665 0.05459 191 2PX 0.00146 -0.04611 -0.01790 -0.05965 0.07923 192 2PY -0.06377 0.05605 0.00928 -0.00035 -0.01577 193 2PZ -0.02227 0.05458 -0.06667 0.01068 -0.07497 194 3S -0.32648 -0.42837 -0.68120 -0.24243 0.73576 195 3PX 0.18986 -0.22121 0.00009 -0.19356 0.29676 196 3PY -0.37700 0.04905 -0.06106 -0.00724 -0.03234 197 3PZ 0.13032 0.07663 -0.14176 0.05816 -0.19763 198 4XX 0.00346 -0.00663 0.00208 0.00102 -0.00299 199 4YY -0.00715 0.00476 -0.00013 0.00481 -0.00132 200 4ZZ 0.00618 0.00357 0.00523 -0.00172 -0.00397 201 4XY 0.00141 -0.00302 0.00429 -0.00150 0.00676 202 4XZ 0.01118 -0.00370 -0.00324 0.00132 0.00552 203 4YZ 0.00274 -0.00186 -0.00169 0.00219 0.00294 204 18 C 1S 0.06706 0.04620 -0.01100 0.01436 0.00840 205 2S -0.09049 -0.03878 0.02241 -0.01182 -0.01020 206 2PX -0.04987 0.09663 -0.01531 -0.01967 0.02092 207 2PY 0.08558 0.06897 0.07306 0.01533 -0.02976 208 2PZ -0.10804 0.10886 0.01945 -0.07401 -0.08464 209 3S -1.04140 -0.87888 0.04905 -0.28481 -0.05259 210 3PX -0.19899 0.44916 0.06257 0.00189 -0.08912 211 3PY 0.37690 0.17277 0.23127 -0.03431 -0.07312 212 3PZ -0.31966 0.27452 0.07352 -0.25191 -0.25356 213 4XX 0.00711 -0.00181 -0.00106 0.00365 0.00154 214 4YY -0.00057 0.00252 -0.00255 0.00233 0.00167 215 4ZZ 0.00828 0.00864 0.00137 -0.00440 0.00059 216 4XY -0.00163 -0.00122 -0.00351 -0.00182 -0.00358 217 4XZ 0.00148 -0.00403 0.00523 -0.00163 -0.00295 218 4YZ -0.00335 0.01210 0.00094 -0.00008 -0.00530 219 19 H 1S 0.00810 0.07101 0.00059 -0.01759 -0.02383 220 2S 0.28305 0.96815 0.16742 -0.18897 -0.29972 221 20 H 1S 0.03293 -0.03624 0.02149 0.00622 0.02522 222 2S 1.00463 -0.13091 0.10732 0.36359 0.26215 223 21 H 1S 0.03951 -0.01266 0.00383 0.00520 0.02008 224 2S 0.28203 -0.03874 0.40031 0.12748 -0.08140 225 22 H 1S -0.02508 0.00393 0.00193 0.00584 -0.04044 226 2S -0.19751 0.43731 0.14919 0.29256 -0.73024 227 23 H 1S 0.00534 -0.02336 -0.00748 -0.02958 0.00941 228 2S 0.22919 -0.37409 0.40747 -0.28017 0.04856 229 24 H 1S 0.00945 -0.02911 0.00359 -0.00456 0.00401 230 2S 0.02492 -0.43772 0.18021 -0.23525 -0.51287 231 25 H 1S -0.03161 -0.03096 0.01370 0.00515 -0.00057 232 2S -0.08510 -0.39337 -0.10702 0.34793 0.14700 233 26 H 1S -0.03108 -0.00739 0.03265 0.01416 0.03140 234 2S -0.47539 0.00428 -0.06167 0.52748 0.66894 235 27 H 1S -0.01423 0.03356 -0.00285 -0.02884 -0.01567 236 2S -0.09982 0.39101 -0.17326 -0.19438 0.28447 237 28 Br 1S 0.00338 -0.00383 0.00075 -0.00440 -0.00032 238 2S -0.02673 0.02952 -0.00563 0.03579 0.00230 239 3S 0.04060 -0.04366 0.00810 -0.05607 -0.00307 240 4S 0.04463 -0.05104 0.00997 -0.05677 -0.00468 241 5S -0.29408 0.29077 -0.04060 0.43332 0.01414 242 6S 0.52661 -0.48667 0.03955 -0.79918 -0.01352 243 7PX -0.00374 -0.00102 -0.00751 -0.00644 0.00027 244 7PY -0.00395 0.00152 -0.00320 0.00375 -0.00058 245 7PZ 0.00356 -0.00124 0.00315 -0.00432 0.00379 246 8PX 0.01180 0.00330 0.02375 0.02032 -0.00083 247 8PY 0.01246 -0.00492 0.01015 -0.01196 0.00197 248 8PZ -0.01112 0.00383 -0.00991 0.01345 -0.01205 249 9PX -0.02893 -0.01238 -0.06271 -0.05065 0.00098 250 9PY -0.03191 0.01860 -0.02698 0.03658 -0.01078 251 9PZ 0.02337 -0.00767 0.02532 -0.02490 0.03481 252 10PX -0.01133 0.01881 0.02158 0.00212 0.00138 253 10PY 0.01652 -0.03914 0.00170 -0.03098 0.02110 254 10PZ 0.01075 0.02396 -0.04028 -0.02594 -0.01486 255 11XX -0.01882 0.02176 0.00157 0.03965 -0.00033 256 11YY -0.02583 0.01656 -0.00370 0.02135 0.00746 257 11ZZ -0.01375 0.02381 -0.00918 0.02004 -0.00274 258 11XY -0.01185 0.00028 -0.00939 -0.00213 0.01025 259 11XZ 0.00514 -0.00644 0.01237 -0.00755 -0.00337 260 11YZ 0.00710 -0.01461 0.00435 -0.00656 0.00516 261 12XX -0.12412 0.11037 -0.03466 0.13122 0.00661 262 12YY -0.09111 0.12471 -0.01220 0.20386 -0.01602 263 12ZZ -0.14590 0.11535 -0.00546 0.21385 0.02282 264 12XY 0.04527 -0.00034 0.03548 0.01126 -0.04197 265 12XZ -0.02420 0.02507 -0.04676 0.02716 0.01268 266 12YZ -0.02466 0.05634 -0.02099 0.02509 -0.02495 267 29 C 1S 0.00223 0.05161 -0.01543 -0.03922 0.01093 268 2S -0.02500 -0.05701 0.01294 0.03071 0.02362 269 2PX 0.02193 -0.09793 -0.09693 0.14486 0.02250 270 2PY -0.09363 -0.04857 -0.01278 -0.04314 0.00748 271 2PZ 0.00755 0.06430 0.06011 0.00516 0.16174 272 3S 0.10018 -0.92120 0.36141 0.67753 -0.23360 273 3PX -0.04912 -0.49808 -0.22114 0.36405 0.09218 274 3PY -0.34159 -0.00197 0.01431 -0.29156 0.15661 275 3PZ -0.07339 0.34135 0.09119 -0.07038 0.68070 276 4XX 0.00033 -0.00572 -0.00014 0.00452 -0.00513 277 4YY -0.00293 -0.00011 0.00055 -0.00565 -0.00261 278 4ZZ 0.00222 0.01391 -0.00187 -0.01056 0.01556 279 4XY 0.00089 0.01372 0.00007 0.00581 0.00442 280 4XZ -0.00461 0.00712 0.00271 0.00222 0.00169 281 4YZ -0.00518 -0.00463 -0.00088 -0.00521 0.01212 282 30 H 1S 0.00190 -0.08219 -0.01266 0.00010 -0.02600 283 2S 0.18873 -0.31924 -0.43648 0.25086 -0.11187 284 31 H 1S 0.00768 0.04742 -0.00682 -0.02469 -0.02311 285 2S -0.18036 0.28466 -0.18868 -0.50953 -0.44243 286 32 H 1S 0.00825 0.05447 0.00510 0.02296 -0.01054 287 2S 0.25739 0.86180 0.13148 -0.34160 0.04017 288 33 H 1S 0.02650 0.05439 0.01492 0.01342 -0.00362 289 2S 0.37210 0.09793 0.33213 0.31806 0.42890 290 34 H 1S 0.00031 -0.03206 0.00714 -0.03096 -0.00271 291 2S 0.27795 -0.01907 -0.28950 -0.28867 0.08787 292 35 H 1S -0.01246 0.01602 0.02329 -0.02285 0.02497 293 2S 0.00203 0.25036 0.22025 -0.14678 0.28745 294 36 H 1S 0.00743 -0.00682 -0.02318 0.07158 -0.05381 295 2S 0.01814 0.41463 -0.10308 1.13643 -0.21500 296 37 H 1S -0.00852 0.00029 -0.04610 -0.02703 0.00293 297 2S -0.11982 -0.07086 -0.65100 -0.66317 0.07182 298 38 H 1S -0.01403 -0.02678 0.06799 -0.00050 0.01380 299 2S -0.71058 -0.26963 1.20515 -0.15926 -0.00692 300 39 H 1S -0.00787 -0.00538 0.00514 -0.00472 0.01021 301 2S 0.06555 0.05874 -0.24357 0.33926 0.24866 302 40 H 1S 0.02097 0.00446 -0.00694 0.03958 -0.02501 303 2S 0.19183 -0.28894 -0.03901 -0.00486 -0.40211 96 97 98 99 100 V V V V V Eigenvalues -- 0.05744 0.06303 0.06567 0.07274 0.08085 1 1 C 1S 0.04694 -0.00120 0.02107 0.02419 -0.02559 2 2S -0.07388 0.00225 -0.01250 -0.01402 0.02527 3 2PX 0.02001 -0.01725 -0.08679 0.11600 0.07958 4 2PY 0.07103 -0.04638 0.05212 0.01319 0.07916 5 2PZ 0.09121 0.05761 -0.08241 0.05514 -0.05906 6 3S -0.75410 0.08890 -0.47904 -0.45301 0.53355 7 3PX 0.04889 -0.18381 -0.32123 0.31693 0.26669 8 3PY 0.23964 -0.04266 0.21701 0.02715 0.33524 9 3PZ 0.32875 0.15085 -0.26155 0.29107 -0.28152 10 4XX 0.00022 -0.00127 0.01347 -0.00262 -0.00414 11 4YY -0.00263 -0.00412 -0.00704 0.00346 0.00582 12 4ZZ 0.00702 0.00653 -0.00307 0.00511 -0.00325 13 4XY -0.00299 -0.00403 0.00212 0.00326 0.00582 14 4XZ 0.00053 -0.00119 -0.00210 0.00284 -0.00196 15 4YZ -0.00697 -0.00017 0.01024 -0.01025 0.00297 16 2 C 1S -0.03202 0.02121 -0.00552 -0.04696 0.01869 17 2S 0.02889 -0.01549 -0.00140 0.05314 0.00563 18 2PX 0.03160 0.05366 -0.13220 0.08978 0.00802 19 2PY -0.10576 -0.12571 -0.00506 0.02262 0.01710 20 2PZ 0.00189 -0.02313 -0.07530 0.02419 -0.08276 21 3S 0.62067 -0.42076 0.13129 0.79328 -0.47127 22 3PX 0.10310 0.10542 -0.28010 0.32936 -0.22056 23 3PY -0.40955 -0.39029 -0.04808 -0.03382 0.03124 24 3PZ -0.13488 -0.15746 -0.15051 0.11847 -0.26315 25 4XX 0.00439 0.00647 -0.00864 0.00576 0.00572 26 4YY -0.00337 0.00097 0.00421 -0.00976 -0.00464 27 4ZZ -0.00498 -0.00235 0.00108 -0.00355 0.00310 28 4XY 0.00662 0.00768 -0.00051 -0.00245 -0.00155 29 4XZ 0.00160 -0.00192 -0.00414 -0.00179 0.00603 30 4YZ 0.00864 0.00240 -0.01099 0.00605 -0.00179 31 3 C 1S 0.02235 -0.03557 -0.00081 0.00410 -0.02988 32 2S -0.03216 0.04521 -0.00519 0.00134 0.01888 33 2PX -0.02129 0.05418 -0.14146 0.11032 0.07156 34 2PY -0.00043 -0.04683 0.00816 0.03507 0.02072 35 2PZ 0.14325 0.11483 -0.09902 -0.04753 -0.05095 36 3S -0.32557 0.63786 0.08572 -0.10578 0.64292 37 3PX -0.03374 0.12505 -0.35425 0.37254 0.23200 38 3PY 0.15036 -0.18114 0.01899 0.15418 -0.15233 39 3PZ 0.52733 0.40514 -0.33807 -0.18063 -0.12945 40 4XX -0.00487 -0.00688 0.00858 -0.00868 -0.00291 41 4YY 0.01008 0.00328 -0.00366 0.00632 -0.00197 42 4ZZ -0.00084 0.00228 -0.00628 0.00302 0.00090 43 4XY -0.01023 -0.00817 -0.00175 0.01207 0.00774 44 4XZ 0.00219 0.00532 0.00531 -0.00227 0.00510 45 4YZ -0.00583 0.00018 0.00786 -0.00646 0.00063 46 4 C 1S -0.02399 0.02420 0.00663 0.02387 0.03290 47 2S 0.02909 -0.01837 0.00104 -0.02993 -0.03342 48 2PX -0.01919 0.03151 -0.08739 0.10831 0.05850 49 2PY -0.14131 -0.05087 -0.00141 0.06276 0.04493 50 2PZ -0.02745 0.02129 0.10526 -0.01004 0.02799 51 3S 0.40887 -0.36960 -0.23573 -0.42265 -0.59107 52 3PX -0.22338 0.24961 -0.23953 0.19499 0.32900 53 3PY -0.39342 -0.13052 -0.00477 0.21617 0.15742 54 3PZ -0.19663 -0.26174 0.32959 -0.03310 0.06606 55 4XX -0.00953 0.01306 -0.00772 0.00397 0.00744 56 4YY 0.00087 -0.01535 0.00339 0.00317 -0.00721 57 4ZZ 0.00500 0.00857 0.00645 -0.00440 0.00436 58 4XY 0.01189 0.00181 0.00835 -0.01042 -0.00930 59 4XZ -0.00801 -0.00754 0.00203 0.00460 0.00309 60 4YZ 0.00024 0.00016 -0.00012 -0.00003 0.00457 61 5 C 1S -0.00668 -0.05839 0.02254 -0.00769 -0.04421 62 2S -0.02422 0.05307 -0.03711 0.02814 0.06779 63 2PX 0.02324 0.04885 -0.10817 0.08174 0.07391 64 2PY -0.01277 0.08901 0.07991 0.00275 0.00059 65 2PZ 0.10517 0.18310 0.05854 -0.12694 0.02272 66 3S 0.47870 1.13865 -0.31488 -0.05611 0.64982 67 3PX 0.12842 -0.11491 -0.38154 0.07783 0.16474 68 3PY -0.04056 0.46125 0.14569 0.00232 0.13155 69 3PZ 0.29128 0.81182 0.21160 -0.44504 0.15617 70 4XX 0.01285 -0.00296 0.01361 -0.01547 -0.01306 71 4YY -0.00603 -0.00281 -0.00537 0.01016 0.00849 72 4ZZ -0.00655 -0.00360 -0.00727 0.00360 -0.00019 73 4XY -0.00778 0.00272 -0.01017 0.00612 0.00025 74 4XZ 0.00964 -0.00410 0.00027 0.00480 -0.00293 75 4YZ -0.00436 -0.01106 0.00246 0.00358 -0.00221 76 6 C 1S -0.01607 -0.01548 -0.01760 -0.01137 0.02441 77 2S 0.01415 0.03967 0.02689 -0.00305 -0.02325 78 2PX -0.04403 0.01835 -0.10263 0.06880 0.03300 79 2PY -0.08311 -0.02825 0.01668 -0.01494 -0.00521 80 2PZ -0.00048 0.01833 0.06583 -0.00394 -0.02755 81 3S 0.25882 0.15834 0.36179 0.37647 -0.46825 82 3PX -0.26890 -0.12782 -0.28565 0.25536 0.25135 83 3PY -0.23135 -0.34334 -0.07660 -0.09620 -0.10837 84 3PZ -0.02802 -0.04243 0.15249 0.01393 -0.10914 85 4XX -0.01154 0.00644 -0.00957 0.00268 0.01107 86 4YY 0.00584 0.00457 0.01235 -0.01346 0.00375 87 4ZZ 0.00021 -0.01473 -0.00499 0.00878 -0.00923 88 4XY 0.00551 0.00813 -0.00647 -0.00792 -0.00100 89 4XZ 0.00094 0.00257 0.00855 -0.00830 -0.00272 90 4YZ 0.00033 0.00309 -0.00385 -0.00100 -0.00019 91 7 C 1S 0.01181 0.03796 0.00434 -0.01845 -0.01110 92 2S -0.00905 -0.03851 0.01973 0.04830 0.02698 93 2PX -0.00598 -0.00187 -0.00728 0.05484 -0.07662 94 2PY -0.05400 0.02548 0.06378 -0.08937 0.01239 95 2PZ 0.00756 -0.02850 -0.01945 0.05019 0.06973 96 3S -0.22603 -0.75487 -0.26484 0.15652 0.07025 97 3PX 0.01001 -0.02494 0.15149 0.13562 -0.35408 98 3PY -0.04431 -0.06148 -0.00989 -0.38764 0.01198 99 3PZ 0.07482 -0.20458 -0.08157 0.22173 0.17286 100 4XX 0.00430 0.01048 0.00005 -0.01611 -0.00126 101 4YY 0.00139 0.00237 0.00234 0.00874 -0.00396 102 4ZZ -0.00422 -0.00453 -0.00050 0.00436 0.00408 103 4XY -0.01680 0.00288 -0.00257 -0.00198 0.00039 104 4XZ 0.01057 0.00966 0.00321 -0.00073 -0.00345 105 4YZ -0.00217 -0.00481 0.00309 0.00193 -0.00403 106 8 C 1S 0.02307 -0.02759 0.02958 0.02692 0.01395 107 2S -0.02241 0.04686 -0.03259 -0.04778 -0.03817 108 2PX -0.12311 -0.07811 -0.05085 0.06602 -0.02460 109 2PY -0.09183 0.09417 0.03380 0.02308 -0.07110 110 2PZ -0.00579 0.08176 0.02292 0.10344 -0.07759 111 3S -0.54072 0.42405 -0.52234 -0.35788 -0.08522 112 3PX -0.36385 -0.24729 -0.22461 0.11599 -0.25660 113 3PY -0.36280 0.28020 0.02143 0.22521 -0.18275 114 3PZ -0.00852 0.32312 0.12738 0.18743 -0.38385 115 4XX 0.00482 -0.00278 0.00158 0.01427 -0.00300 116 4YY 0.00292 -0.00141 0.00295 -0.01109 0.00263 117 4ZZ -0.00704 0.00316 0.00235 0.00172 0.00034 118 4XY 0.01334 -0.00001 0.00369 0.00889 0.00307 119 4XZ -0.00288 -0.00294 -0.00081 -0.00302 -0.00267 120 4YZ 0.00141 0.00066 -0.00360 -0.00153 -0.00257 121 9 C 1S 0.00416 0.02255 0.00023 -0.01048 -0.03770 122 2S 0.01260 -0.03838 -0.01542 0.03819 0.04021 123 2PX -0.06207 0.02251 -0.02851 0.02636 0.00740 124 2PY -0.11608 -0.05420 -0.08467 -0.10879 0.03296 125 2PZ 0.12362 -0.04042 0.07380 -0.04561 0.08695 126 3S -0.27068 -0.26778 0.14510 -0.06147 0.65697 127 3PX -0.45168 0.11080 -0.00433 0.20347 0.11362 128 3PY -0.53167 -0.18416 -0.26066 -0.32152 0.09142 129 3PZ 0.56504 -0.31574 0.02739 -0.27245 0.31403 130 4XX -0.00340 0.00325 0.00986 -0.00699 -0.00267 131 4YY -0.00423 -0.00328 0.00048 0.00291 -0.00984 132 4ZZ 0.00409 0.00449 -0.00932 0.00295 0.00333 133 4XY -0.01343 0.00495 -0.00917 -0.00144 0.00767 134 4XZ 0.00558 -0.00120 0.00826 0.01295 0.00577 135 4YZ 0.00504 -0.00171 -0.00429 -0.01285 0.00791 136 10 C 1S -0.01416 -0.00886 -0.04646 -0.00456 0.04609 137 2S 0.01325 0.00506 0.07716 0.00530 -0.09490 138 2PX 0.01153 0.03226 -0.10957 0.14258 -0.01103 139 2PY 0.02807 -0.04672 -0.00257 -0.10124 -0.13150 140 2PZ 0.11902 -0.05369 0.07172 0.01487 -0.04537 141 3S 0.33246 0.21600 0.63074 0.06633 -0.36931 142 3PX 0.53697 -0.10692 -0.44395 0.20286 -0.00981 143 3PY 0.01517 -0.08322 0.05621 -0.12476 -0.43539 144 3PZ 0.29665 -0.18683 0.16348 0.12688 -0.21127 145 4XX -0.00684 -0.00211 -0.00753 0.00735 0.01340 146 4YY 0.00581 0.00242 0.00028 -0.00210 0.00076 147 4ZZ 0.00351 -0.00282 0.00158 -0.00737 -0.00720 148 4XY 0.00405 -0.00752 0.01415 -0.00199 -0.00054 149 4XZ -0.01773 -0.00380 -0.00070 -0.00183 -0.00734 150 4YZ 0.00225 0.00941 0.00193 -0.00675 -0.00579 151 11 C 1S -0.00815 0.02911 -0.01430 0.00548 -0.01846 152 2S 0.05223 -0.03576 0.02624 0.00747 0.02400 153 2PX -0.00653 0.05011 0.02089 0.03247 -0.04131 154 2PY 0.00397 -0.02058 -0.04326 -0.10107 -0.07307 155 2PZ 0.02130 0.08628 0.01822 -0.09015 0.09149 156 3S -0.21022 -0.44609 0.21760 -0.20246 0.31722 157 3PX -0.02061 0.06292 0.21436 0.13778 -0.15469 158 3PY 0.40012 -0.14926 -0.17273 -0.33660 0.06675 159 3PZ -0.08459 0.35667 0.08478 -0.33458 0.31093 160 4XX -0.00355 0.00374 0.00323 -0.00564 -0.01051 161 4YY 0.00533 0.00237 -0.00333 0.00437 0.01393 162 4ZZ -0.00360 0.00033 0.00039 0.00498 -0.00522 163 4XY 0.00260 -0.00238 0.00079 0.00534 -0.01616 164 4XZ -0.00566 -0.00057 -0.00261 0.00563 0.00710 165 4YZ 0.00842 -0.00052 -0.00332 -0.00403 0.01044 166 12 H 1S -0.03327 0.03061 0.01877 0.02548 0.00931 167 2S -0.20946 0.60090 0.19215 0.12336 0.14554 168 13 H 1S -0.00323 0.00723 -0.02572 0.02897 0.02755 169 2S -0.15968 -0.03219 -0.08067 0.58704 -0.24623 170 14 C 1S 0.03032 -0.06873 -0.00834 0.01032 -0.01143 171 2S -0.04994 0.07569 0.02677 0.00353 0.00194 172 2PX -0.07414 0.05823 -0.02722 0.10401 -0.11744 173 2PY -0.05706 0.00278 -0.08738 -0.03430 -0.23472 174 2PZ 0.07595 -0.08826 -0.03235 -0.00928 -0.00367 175 3S -0.37065 1.18942 -0.05504 -0.33260 0.28942 176 3PX -0.40213 0.14344 0.08277 0.27428 -0.40368 177 3PY -0.26182 0.02658 -0.20695 0.08955 -0.89260 178 3PZ 0.41130 -0.30841 -0.12594 -0.00037 -0.04436 179 4XX 0.00847 -0.00750 -0.00352 0.00665 0.00837 180 4YY 0.01139 -0.00510 0.00455 -0.00144 -0.00799 181 4ZZ -0.01022 -0.00213 -0.00386 -0.00592 0.00031 182 4XY 0.00226 0.00043 -0.00471 -0.00533 0.01290 183 4XZ 0.00095 -0.00458 -0.00563 0.00027 -0.00969 184 4YZ -0.00254 -0.00024 0.00492 0.00357 -0.00295 185 15 H 1S 0.04852 -0.01213 -0.00569 -0.01088 0.07843 186 2S 0.76548 -0.65003 0.16261 -0.15451 1.08101 187 16 H 1S -0.01975 -0.02330 -0.01925 -0.01280 -0.03361 188 2S 0.23593 -0.68831 -0.35038 0.09653 -0.75642 189 17 C 1S -0.01898 0.00349 0.05290 -0.02797 0.01785 190 2S 0.05294 -0.01103 -0.05786 0.02416 -0.01554 191 2PX 0.05291 0.03712 -0.09678 0.06231 0.02090 192 2PY -0.07589 -0.05169 -0.11478 -0.10311 0.02874 193 2PZ -0.05115 0.01703 -0.11197 -0.04437 0.14575 194 3S 0.04241 0.04395 -0.92685 0.49884 -0.32328 195 3PX 0.49569 -0.02093 -0.33164 -0.05159 0.27269 196 3PY -0.21206 -0.24880 -0.26488 -0.31488 0.23706 197 3PZ -0.26473 0.18317 -0.42787 -0.31982 0.55199 198 4XX -0.00278 -0.00084 -0.00191 -0.01843 0.00683 199 4YY -0.00393 -0.00304 0.00283 0.00367 -0.00717 200 4ZZ 0.00096 0.00534 0.01145 0.00809 0.00289 201 4XY 0.00585 -0.00643 0.00089 -0.00170 -0.00348 202 4XZ 0.01037 -0.00131 0.00120 -0.00438 0.00869 203 4YZ 0.00271 -0.00526 0.00156 -0.00718 -0.00292 204 18 C 1S -0.01032 0.02096 -0.02614 0.03165 0.00694 205 2S -0.01375 -0.01627 0.04289 -0.03065 -0.03550 206 2PX -0.03258 -0.00995 0.00039 0.16550 0.06247 207 2PY 0.01139 0.00486 -0.04858 -0.04953 -0.05217 208 2PZ 0.05474 0.02404 0.07109 0.18266 0.05079 209 3S 0.39858 -0.49814 0.30228 -0.57372 0.12161 210 3PX -0.19277 0.00174 0.19127 0.44234 0.21347 211 3PY 0.44780 -0.03193 -0.12256 -0.16708 -0.07627 212 3PZ 0.10912 0.13379 0.33218 0.72798 -0.06105 213 4XX 0.00459 0.00244 -0.00658 0.00941 -0.00010 214 4YY -0.01450 0.00050 -0.00640 -0.00572 0.00409 215 4ZZ 0.00954 -0.00163 0.00615 0.00071 -0.00370 216 4XY 0.00612 0.00103 0.00642 0.00517 -0.00224 217 4XZ -0.00319 0.00523 -0.00967 -0.00786 0.00566 218 4YZ -0.00985 0.00580 0.00355 0.00562 0.00307 219 19 H 1S -0.01677 0.02481 0.00671 0.03137 0.02740 220 2S 0.15873 0.25998 0.03271 0.85864 0.11133 221 20 H 1S 0.01324 -0.01745 -0.05758 -0.06475 -0.00893 222 2S 0.02992 0.01012 -0.62206 -0.85485 -0.24683 223 21 H 1S 0.02710 -0.01165 0.05400 -0.00251 -0.01047 224 2S 0.16803 -0.00283 1.12275 0.21166 -0.55556 225 22 H 1S -0.04413 0.01337 -0.00479 -0.04293 -0.00329 226 2S -0.67645 -0.07837 0.23882 -0.61986 0.27352 227 23 H 1S 0.01960 0.02157 0.01351 -0.05688 -0.03180 228 2S 0.41261 -0.20071 -0.14410 -0.16670 -0.24002 229 24 H 1S 0.00869 0.02193 -0.02648 -0.01589 0.02606 230 2S 0.01853 0.49044 0.03506 0.27131 -0.53787 231 25 H 1S -0.01165 0.00515 0.00626 -0.02373 0.00328 232 2S -0.10750 0.33599 0.34506 0.33493 -0.20912 233 26 H 1S -0.02541 -0.00933 0.01427 0.00686 0.02935 234 2S 0.14647 -0.49172 0.08109 -0.16493 0.51404 235 27 H 1S -0.05690 0.03204 -0.01974 -0.04311 -0.01313 236 2S -0.10880 0.40346 0.18819 -0.41211 -0.42314 237 28 Br 1S -0.00117 -0.00241 0.00208 0.00215 -0.00155 238 2S 0.00943 0.01739 -0.01702 -0.01774 0.01188 239 3S -0.01468 -0.02356 0.02676 0.02811 -0.01744 240 4S -0.01501 -0.03389 0.02701 0.02790 -0.02096 241 5S 0.12128 0.19409 -0.20393 -0.22566 0.10949 242 6S -0.22809 -0.36770 0.38000 0.44153 -0.17630 243 7PX -0.00519 -0.00167 -0.00226 -0.00465 -0.00102 244 7PY 0.00406 0.00758 0.00263 0.00289 -0.00119 245 7PZ -0.00381 -0.00299 -0.00080 0.00029 0.00067 246 8PX 0.01648 0.00553 0.00717 0.01471 0.00325 247 8PY -0.01294 -0.02397 -0.00828 -0.00916 0.00381 248 8PZ 0.01204 0.00944 0.00256 -0.00091 -0.00212 249 9PX -0.04597 -0.02735 -0.02032 -0.03854 -0.01066 250 9PY 0.04002 0.06417 0.01913 0.02377 -0.01243 251 9PZ -0.03101 -0.02285 -0.00746 0.00140 0.00521 252 10PX 0.03300 0.05978 0.01261 0.01207 0.03038 253 10PY -0.05576 -0.06236 0.00676 0.00916 0.00848 254 10PZ 0.01515 -0.05577 0.00721 0.02679 0.00605 255 11XX 0.00808 0.01449 -0.01168 -0.01083 0.00197 256 11YY 0.00857 0.01437 -0.01324 -0.02073 0.01468 257 11ZZ 0.00443 0.00398 -0.01386 -0.00934 0.00820 258 11XY 0.00042 0.00976 0.00127 0.00032 -0.00314 259 11XZ 0.01150 0.01044 0.00277 -0.01170 0.00407 260 11YZ -0.01001 -0.00542 0.00542 0.00838 -0.00346 261 12XX 0.04751 0.05829 -0.09387 -0.10521 0.07309 262 12YY 0.03606 0.04420 -0.08419 -0.06856 0.01323 263 12ZZ 0.06714 0.08596 -0.07978 -0.10820 0.04290 264 12XY -0.00006 -0.03705 -0.00175 -0.00050 0.01532 265 12XZ -0.04226 -0.04085 -0.01219 0.04908 -0.01103 266 12YZ 0.03634 0.00893 -0.02375 -0.02901 0.01324 267 29 C 1S 0.01241 0.03908 -0.01573 -0.01243 0.02370 268 2S -0.01349 -0.01937 0.01904 0.01777 -0.01098 269 2PX -0.04536 0.01271 0.08332 0.02878 0.04153 270 2PY 0.08710 0.10045 0.01710 -0.04017 -0.02806 271 2PZ 0.02727 0.12527 0.07556 -0.06576 0.05428 272 3S -0.22134 -0.80826 0.31763 0.25028 -0.50619 273 3PX -0.18662 0.22963 0.24562 0.08848 -0.00306 274 3PY 0.30831 0.48229 0.07281 -0.15359 0.06250 275 3PZ 0.11025 0.70020 0.19683 -0.18190 0.23629 276 4XX -0.00068 -0.00366 -0.00072 0.00216 -0.00728 277 4YY 0.00367 -0.00086 -0.00304 -0.00373 0.00108 278 4ZZ -0.00157 0.00974 0.00130 0.00230 0.01180 279 4XY -0.00366 -0.00413 0.00446 -0.00454 0.00183 280 4XZ -0.00224 0.00066 0.00740 -0.00315 0.00109 281 4YZ 0.00604 0.01663 -0.00025 -0.00324 0.00235 282 30 H 1S -0.00101 0.01436 -0.02893 0.02380 -0.01739 283 2S -0.29473 0.06372 -0.01062 0.17922 0.13881 284 31 H 1S -0.00489 -0.02000 -0.00083 0.00656 0.01887 285 2S 0.24089 -0.12590 -0.37569 -0.01968 0.00257 286 32 H 1S -0.00727 -0.04683 -0.01084 -0.01549 -0.00186 287 2S -0.00848 -0.13676 -0.31205 -0.14889 0.18179 288 33 H 1S 0.01016 0.01451 0.02993 -0.00550 0.03820 289 2S -0.52863 0.00968 0.44791 0.23556 0.43357 290 34 H 1S 0.03616 -0.01522 0.03586 -0.03871 -0.04935 291 2S 0.41307 0.08008 0.35259 -0.31299 -0.19512 292 35 H 1S -0.01259 0.00327 0.01757 -0.00394 0.00714 293 2S -0.35417 -0.39534 0.27411 0.05674 -0.00905 294 36 H 1S 0.05177 0.02924 -0.03467 0.00942 -0.01244 295 2S 0.65338 0.36165 -0.60028 -0.01926 -0.25096 296 37 H 1S 0.00329 -0.00284 -0.03429 -0.01024 -0.01673 297 2S -0.51415 -0.25106 -0.34020 -0.14919 -0.13650 298 38 H 1S -0.00674 0.02293 -0.03881 0.04115 0.02001 299 2S 0.03766 0.50600 -0.42934 0.10476 0.14161 300 39 H 1S -0.00223 0.02046 0.02624 -0.02911 0.01221 301 2S -0.13539 -0.04583 0.29680 -0.15430 -0.09137 302 40 H 1S 0.00407 -0.05116 -0.00661 0.04878 0.03070 303 2S 0.49040 -0.33669 0.19473 0.43842 0.37444 101 102 103 104 105 V V V V V Eigenvalues -- 0.08703 0.09363 0.09731 0.10212 0.11056 1 1 C 1S -0.06344 0.01485 -0.00742 -0.03952 0.00728 2 2S 0.05234 -0.00126 0.00181 0.01753 0.00564 3 2PX 0.09277 0.12528 -0.06648 -0.01660 0.04149 4 2PY 0.05923 0.04741 0.11743 -0.09481 -0.13022 5 2PZ -0.09970 0.01155 -0.12722 -0.09332 0.09012 6 3S 1.25660 -0.41681 0.10588 1.03318 -0.24437 7 3PX 0.49096 0.38407 -0.27629 0.24451 0.09941 8 3PY 0.24618 0.01146 0.58968 -0.22832 -0.34286 9 3PZ -0.64600 0.16125 -0.58630 -0.52603 0.52685 10 4XX -0.01500 -0.01171 0.00570 -0.00790 0.00734 11 4YY 0.01016 0.00648 -0.00204 0.00771 -0.00273 12 4ZZ -0.00477 0.00703 -0.00596 -0.00438 -0.00208 13 4XY 0.00853 -0.00194 -0.00508 0.00428 -0.00117 14 4XZ -0.00188 -0.00088 0.00284 0.00294 0.00718 15 4YZ 0.01028 -0.00400 0.01339 0.00268 -0.00920 16 2 C 1S 0.03303 -0.04620 0.02777 0.01492 0.03023 17 2S -0.02261 0.03559 -0.00188 0.01189 -0.02774 18 2PX -0.07259 0.06780 -0.05104 0.03929 0.01706 19 2PY 0.07361 0.05519 -0.01022 0.04718 -0.13286 20 2PZ -0.07397 0.01557 -0.11860 -0.05538 0.13308 21 3S -0.61420 0.92313 -0.74328 -0.49208 -0.56380 22 3PX -0.44843 0.47846 -0.35733 -0.12569 -0.09781 23 3PY 0.32815 0.18726 0.03689 0.35269 -0.61910 24 3PZ -0.34746 0.11349 -0.49359 -0.16105 0.70891 25 4XX 0.00739 0.00101 -0.00923 -0.00427 0.00353 26 4YY -0.00053 -0.00424 0.00314 0.00319 0.00400 27 4ZZ -0.00194 -0.00410 0.01049 0.00362 -0.00224 28 4XY -0.00533 -0.01269 0.00037 -0.00577 0.01334 29 4XZ 0.01108 0.00081 0.00285 0.00531 -0.00939 30 4YZ -0.00246 0.00612 -0.01140 0.00178 -0.00036 31 3 C 1S -0.02203 0.02520 0.01042 0.02487 -0.08194 32 2S 0.01504 -0.02086 -0.02140 -0.03804 0.05497 33 2PX 0.04334 -0.01832 -0.05609 0.08129 -0.07529 34 2PY 0.04645 0.16064 -0.05158 -0.04881 -0.07223 35 2PZ -0.01159 -0.07761 -0.06431 -0.02243 -0.07917 36 3S 0.49575 -0.41031 -0.12382 -0.39679 1.69847 37 3PX 0.17681 -0.04884 -0.25790 0.21810 0.00011 38 3PY 0.09717 0.69515 -0.32247 -0.27551 -0.61590 39 3PZ 0.04054 -0.35713 -0.18060 0.09676 -0.26248 40 4XX 0.00313 0.00142 0.01240 0.00267 -0.01788 41 4YY -0.00265 0.00895 -0.00551 -0.00158 -0.00853 42 4ZZ -0.00278 -0.00625 -0.00448 0.00548 0.00993 43 4XY -0.00020 0.00154 0.00307 0.00515 -0.00494 44 4XZ 0.00380 -0.00412 0.00920 -0.01521 0.00604 45 4YZ 0.00054 -0.00504 0.00983 0.00491 -0.00659 46 4 C 1S 0.01390 0.00236 -0.01093 0.01759 0.05791 47 2S -0.02133 -0.00087 0.01940 0.00834 -0.05409 48 2PX -0.04498 -0.04271 -0.02317 -0.07135 0.09602 49 2PY -0.10183 -0.01231 0.06162 0.06734 0.02646 50 2PZ 0.00709 0.07329 0.12527 -0.19160 0.00067 51 3S -0.24940 -0.09903 0.13420 -0.48196 -1.10027 52 3PX 0.06303 -0.26129 0.05990 -0.08388 0.54087 53 3PY -0.40608 -0.11100 0.35258 0.39569 0.28500 54 3PZ 0.07757 0.18346 0.44846 -0.98434 -0.11956 55 4XX 0.00378 -0.00740 -0.00287 0.00507 0.00349 56 4YY 0.00020 0.00578 0.00044 -0.00905 -0.00288 57 4ZZ -0.00278 0.00182 0.00255 0.00615 0.00620 58 4XY -0.00770 -0.00164 -0.00118 -0.01134 0.00798 59 4XZ -0.00156 0.00533 0.00100 0.00421 -0.00452 60 4YZ 0.00258 -0.00241 0.00708 -0.01228 -0.00657 61 5 C 1S -0.02673 -0.03463 0.01065 -0.02293 -0.00453 62 2S 0.04445 0.03763 -0.00585 0.03997 -0.01237 63 2PX 0.06925 -0.05413 0.00147 -0.15576 -0.18722 64 2PY -0.07938 0.05427 -0.12663 0.08746 -0.01940 65 2PZ 0.02625 0.09731 -0.04624 -0.14971 0.00275 66 3S 0.36847 0.62894 -0.08820 0.32401 0.15168 67 3PX 0.23740 -0.15812 -0.24866 -0.85153 -0.70435 68 3PY -0.17146 0.21090 -0.55407 0.69403 0.02844 69 3PZ 0.23655 0.40603 -0.02018 -0.56151 0.04258 70 4XX -0.00502 -0.00474 -0.00493 -0.00082 0.00318 71 4YY -0.00097 -0.00096 0.00593 0.00116 0.00059 72 4ZZ 0.00621 -0.00011 0.00355 -0.00161 -0.00400 73 4XY 0.00248 -0.00619 -0.01516 0.00328 -0.00666 74 4XZ 0.00037 0.00588 -0.00923 -0.01387 -0.00243 75 4YZ -0.00083 -0.00203 -0.00063 0.00624 0.00653 76 6 C 1S 0.05542 0.02295 -0.01298 0.02049 0.04087 77 2S -0.07393 -0.03412 0.03008 -0.01563 -0.05504 78 2PX 0.10502 0.04468 -0.05254 0.10211 -0.11478 79 2PY -0.01588 -0.09633 -0.09828 -0.00507 0.04149 80 2PZ -0.03929 0.03553 0.10780 0.03639 -0.04266 81 3S -1.05647 -0.34115 0.14946 -0.39955 -0.97031 82 3PX 0.49715 0.03332 -0.24591 0.69120 -0.41354 83 3PY -0.13693 -0.32428 -0.55206 -0.25692 0.18331 84 3PZ -0.03501 -0.04335 0.39009 0.16686 -0.18917 85 4XX 0.01336 0.00451 0.00021 -0.00059 0.00032 86 4YY 0.00546 0.00261 0.00291 0.01113 0.00561 87 4ZZ -0.01165 -0.00419 -0.00594 -0.00654 -0.00375 88 4XY -0.00264 -0.00077 0.00851 -0.00334 -0.00051 89 4XZ 0.00708 0.00126 0.00390 -0.00578 -0.01932 90 4YZ -0.00359 -0.00659 0.00758 -0.00236 -0.00223 91 7 C 1S -0.01294 -0.01632 0.03951 0.00425 -0.02346 92 2S 0.03479 0.03558 -0.03788 0.02915 -0.01714 93 2PX -0.06775 0.04854 -0.02558 0.00277 0.02226 94 2PY 0.07904 0.01357 -0.01849 0.06190 0.09941 95 2PZ 0.02142 0.06268 0.01928 -0.01402 -0.03870 96 3S 0.00321 0.18414 -0.85153 -0.50976 0.69761 97 3PX -0.35061 0.27875 -0.01284 -0.06434 0.18598 98 3PY 0.05094 -0.08885 -0.21348 -0.09706 0.64271 99 3PZ 0.00118 -0.00863 -0.12897 -0.14315 -0.29065 100 4XX -0.00272 -0.00731 0.01568 -0.00772 0.00319 101 4YY -0.00019 0.00756 0.00357 0.00393 -0.02048 102 4ZZ 0.00096 0.00031 -0.01178 0.00397 0.01121 103 4XY 0.00979 -0.01043 -0.00728 0.00131 -0.00039 104 4XZ 0.00216 0.00863 0.01170 0.00377 -0.00336 105 4YZ 0.00019 -0.00378 -0.00280 -0.00758 -0.00452 106 8 C 1S 0.01668 0.05341 -0.02845 0.01194 0.01188 107 2S -0.03268 -0.05982 0.05421 -0.04862 -0.00698 108 2PX -0.01052 -0.06359 -0.11420 -0.03758 -0.03498 109 2PY -0.02600 -0.07678 -0.00917 -0.02205 -0.05039 110 2PZ -0.02906 0.11012 -0.01806 0.17218 0.07737 111 3S -0.23142 -0.89728 0.38509 0.09774 -0.22964 112 3PX -0.36426 -0.12942 -0.23583 -0.29464 0.12727 113 3PY -0.07441 -0.40998 0.02054 -0.08606 -0.38481 114 3PZ -0.01160 0.47533 0.11800 0.49425 0.25532 115 4XX -0.00533 0.01049 -0.00134 0.00018 -0.00419 116 4YY 0.00925 0.00353 -0.00330 -0.00291 0.00699 117 4ZZ -0.00360 -0.00459 0.00208 0.00404 -0.00229 118 4XY -0.00297 0.01013 0.00547 0.00414 -0.00861 119 4XZ -0.00251 -0.00765 -0.00276 -0.00667 0.00069 120 4YZ 0.00006 -0.01223 -0.00170 -0.01228 -0.00787 121 9 C 1S -0.05320 -0.01049 0.01534 -0.03713 -0.00043 122 2S 0.07646 -0.00007 -0.02291 0.05563 0.01305 123 2PX 0.05089 -0.14862 0.00367 -0.06515 -0.04959 124 2PY -0.01287 -0.20146 -0.06338 -0.05753 0.01423 125 2PZ -0.03768 -0.00043 -0.03864 -0.05265 0.01901 126 3S 0.83458 0.26282 -0.23324 0.45297 -0.05511 127 3PX -0.04112 -0.38412 -0.01472 -0.04481 -0.29538 128 3PY -0.16219 -0.63009 -0.25576 -0.30853 -0.00557 129 3PZ 0.05298 -0.03050 -0.13688 -0.38280 0.17654 130 4XX -0.00303 -0.00232 0.00167 -0.00772 0.01015 131 4YY -0.01021 -0.00465 -0.00430 0.00167 -0.00754 132 4ZZ 0.00574 0.00833 0.00548 -0.00286 -0.00064 133 4XY 0.00286 -0.00797 0.00589 -0.00042 -0.00897 134 4XZ -0.00240 0.00593 0.00395 0.00249 0.00594 135 4YZ 0.00466 0.00666 0.00076 0.00776 0.00293 136 10 C 1S 0.03403 0.00060 -0.02185 0.03471 -0.00248 137 2S -0.03406 0.00105 0.03994 -0.06466 -0.00685 138 2PX 0.06041 -0.04184 -0.05652 -0.09556 -0.12908 139 2PY 0.01094 -0.08768 -0.02646 0.06858 -0.07021 140 2PZ -0.07823 -0.01264 -0.03670 0.08882 0.03074 141 3S -0.44614 -0.00958 0.36989 -0.42661 0.13959 142 3PX 0.24769 -0.17837 -0.10424 -0.55297 -0.54391 143 3PY 0.07702 -0.20943 0.03647 0.18473 -0.25386 144 3PZ -0.27357 0.01240 -0.12997 0.53594 0.13633 145 4XX 0.00986 -0.01002 0.01573 0.00365 -0.00374 146 4YY 0.00256 0.01154 -0.00534 0.01298 0.00211 147 4ZZ -0.00124 -0.00324 -0.00950 -0.01246 0.00067 148 4XY -0.00774 0.00488 0.00505 0.00053 0.00722 149 4XZ -0.00309 -0.01082 -0.00354 0.00904 -0.00108 150 4YZ -0.00928 -0.00272 -0.00684 -0.00719 -0.01193 151 11 C 1S -0.01461 -0.01392 -0.01171 0.00776 -0.04399 152 2S 0.04364 0.01089 0.03233 -0.01094 0.05227 153 2PX 0.05328 -0.11442 0.05363 -0.09297 -0.04642 154 2PY -0.01389 -0.02962 -0.08814 -0.03810 -0.03494 155 2PZ 0.04622 0.03332 0.06038 0.10586 0.00475 156 3S 0.02542 0.27060 -0.01318 -0.13290 0.70175 157 3PX -0.03465 -0.27527 0.33507 -0.31157 -0.35925 158 3PY 0.08436 -0.23266 -0.27387 -0.25755 -0.19888 159 3PZ 0.03088 0.05520 0.14863 0.30446 -0.00886 160 4XX 0.00811 0.00718 -0.00867 0.00819 0.00523 161 4YY -0.00092 -0.00597 0.00186 -0.00819 -0.00902 162 4ZZ -0.01103 -0.00304 0.00490 0.00175 -0.00547 163 4XY 0.00243 -0.00579 0.00750 -0.00986 -0.00108 164 4XZ 0.00793 0.00341 0.00643 -0.00309 0.00150 165 4YZ 0.00424 0.00236 -0.00208 -0.00115 0.00877 166 12 H 1S -0.00577 0.00505 0.01348 0.01793 -0.03960 167 2S -0.01595 -0.04605 0.47148 0.36637 -0.32790 168 13 H 1S -0.01201 -0.00167 0.02571 -0.02920 0.00747 169 2S -0.22651 0.02406 -0.05306 -0.09053 -0.07275 170 14 C 1S -0.02559 0.00579 0.04342 -0.01552 0.01812 171 2S 0.00758 0.00651 -0.04723 0.02708 -0.01845 172 2PX 0.15501 0.02554 0.05415 -0.10099 -0.02559 173 2PY 0.08818 0.10404 0.00630 -0.03125 0.02833 174 2PZ 0.10149 0.10429 -0.01600 0.08257 0.08547 175 3S 0.58751 -0.14932 -0.71777 0.13314 -0.31298 176 3PX 0.44397 0.20792 0.06479 -0.36022 0.00543 177 3PY 0.17513 0.33704 0.11956 0.01732 0.04488 178 3PZ 0.63722 0.15344 -0.18476 0.21612 0.41832 179 4XX 0.00470 -0.00372 0.00469 -0.00657 0.00740 180 4YY -0.00028 -0.00542 -0.00014 0.00246 0.00290 181 4ZZ -0.00902 0.01219 0.00383 0.00068 -0.00519 182 4XY -0.00129 0.00701 -0.00332 0.00542 -0.00080 183 4XZ -0.00125 0.00062 -0.00149 0.00023 -0.00044 184 4YZ 0.01380 -0.00176 -0.00339 -0.00301 0.00331 185 15 H 1S -0.02962 0.00570 0.00418 0.03949 0.02312 186 2S -0.66579 -0.27535 0.06867 0.40126 0.23942 187 16 H 1S 0.04135 0.03634 0.00216 -0.00250 0.01233 188 2S 0.65780 0.59296 0.23354 0.02847 0.51948 189 17 C 1S 0.05512 -0.01572 -0.07024 -0.01354 -0.00619 190 2S -0.04873 0.02632 0.06446 0.01641 0.02194 191 2PX 0.15268 -0.10952 0.12357 -0.00751 0.07156 192 2PY -0.08201 0.03906 0.00026 -0.10575 -0.06062 193 2PZ -0.07770 0.14238 -0.00504 -0.02303 -0.02837 194 3S -1.08312 0.18117 1.31648 0.25220 -0.00661 195 3PX 0.57856 -0.38350 0.26920 0.00493 0.37654 196 3PY -0.40430 0.13242 -0.03570 -0.31668 -0.24816 197 3PZ -0.23094 0.45142 -0.02119 -0.04391 -0.21576 198 4XX -0.00956 -0.00137 -0.00287 -0.00087 -0.00018 199 4YY 0.01565 0.00827 -0.00869 0.00327 -0.00186 200 4ZZ -0.00016 -0.00793 -0.00288 -0.00390 -0.00037 201 4XY 0.00801 -0.00768 -0.00081 -0.01010 0.00381 202 4XZ 0.00559 0.00015 -0.00118 0.00802 0.00111 203 4YZ -0.00480 0.00003 0.00040 0.00083 0.00017 204 18 C 1S -0.01686 0.00842 0.04611 0.01700 -0.00222 205 2S 0.01860 -0.00104 -0.04939 -0.01748 -0.00308 206 2PX 0.10656 -0.06946 -0.05673 -0.01941 -0.05009 207 2PY 0.01870 -0.04212 0.07287 -0.09778 0.09167 208 2PZ -0.08025 -0.07832 -0.04756 0.01811 0.02848 209 3S 0.27630 -0.22404 -0.89765 -0.35544 0.05587 210 3PX 0.36251 -0.13657 -0.20586 0.01875 -0.19940 211 3PY 0.29936 -0.15477 0.30033 -0.23792 0.45064 212 3PZ -0.31495 -0.26493 -0.05699 0.05065 0.12317 213 4XX 0.01239 0.00726 0.00360 0.00938 0.00069 214 4YY -0.01672 -0.00150 -0.00111 -0.00408 -0.00779 215 4ZZ 0.00037 -0.00577 0.00344 -0.00450 0.00747 216 4XY -0.01499 0.01108 0.00224 0.00289 0.00548 217 4XZ -0.00008 -0.00080 0.00357 -0.00269 -0.00327 218 4YZ 0.00342 -0.00206 0.00147 -0.00617 0.00069 219 19 H 1S -0.02973 -0.02608 0.03637 -0.03938 0.02531 220 2S -0.18224 -0.38539 0.40089 -0.11136 0.34202 221 20 H 1S 0.00616 -0.01693 0.03230 0.00371 -0.00506 222 2S 0.10528 0.25961 0.72954 -0.09977 0.22962 223 21 H 1S 0.03069 -0.03729 -0.02965 0.00165 0.00013 224 2S 0.62698 -0.52704 -0.59103 0.18564 0.12857 225 22 H 1S -0.07098 0.03642 -0.02260 0.00345 -0.02541 226 2S -0.59548 0.63420 -0.81854 -0.27839 -0.54242 227 23 H 1S -0.02926 -0.02087 -0.07567 -0.00145 -0.05369 228 2S 0.02442 -0.22707 -0.43653 0.63002 -0.26221 229 24 H 1S 0.00572 0.05776 0.03547 0.03757 -0.00399 230 2S -0.21523 0.64423 0.43985 0.32101 -0.05786 231 25 H 1S 0.04684 -0.02607 -0.02981 -0.01993 0.01933 232 2S 0.16699 0.14161 -0.12466 0.20454 -0.08641 233 26 H 1S -0.00349 -0.03087 -0.01342 -0.00033 -0.02103 234 2S 0.18579 -0.25402 -0.20334 -0.54959 -0.25402 235 27 H 1S -0.00617 -0.06036 0.00111 -0.00077 0.02513 236 2S -0.22809 -0.09602 0.19723 0.15943 0.41495 237 28 Br 1S -0.00042 -0.00049 -0.00187 0.00303 -0.00428 238 2S 0.00276 0.00265 0.01300 -0.02327 0.03419 239 3S -0.00331 -0.00195 -0.01675 0.03413 -0.05263 240 4S -0.00608 -0.00795 -0.02694 0.04143 -0.05612 241 5S 0.01404 0.02212 0.10232 -0.22111 0.45766 242 6S -0.02129 -0.03903 -0.15856 0.35508 -0.88480 243 7PX 0.00489 0.00635 0.00389 -0.00574 0.00257 244 7PY 0.00244 -0.00021 0.00382 0.00671 -0.00591 245 7PZ -0.00129 0.00124 -0.00449 -0.00075 0.00572 246 8PX -0.01544 -0.02010 -0.01205 0.01810 -0.00833 247 8PY -0.00764 0.00076 -0.01206 -0.02139 0.01867 248 8PZ 0.00411 -0.00387 0.01432 0.00250 -0.01832 249 9PX 0.03921 0.05411 0.01894 -0.04363 0.03100 250 9PY 0.01516 -0.00531 0.02991 0.06346 -0.04541 251 9PZ -0.01236 0.00981 -0.04232 -0.01226 0.06065 252 10PX -0.00488 -0.03178 0.05677 -0.02448 -0.06593 253 10PY 0.02085 -0.00562 -0.00234 -0.04402 -0.03356 254 10PZ -0.00890 -0.02905 0.00105 0.00621 -0.11295 255 11XX -0.00462 0.00357 0.01521 -0.03689 0.02534 256 11YY 0.01490 -0.00373 0.00660 -0.00063 0.02789 257 11ZZ -0.00585 0.00226 0.00120 -0.01130 0.02239 258 11XY 0.00679 0.00810 0.00877 -0.01855 -0.01393 259 11XZ 0.00974 -0.00015 0.02216 0.00826 -0.01901 260 11YZ 0.00149 0.00465 -0.00104 0.00086 -0.01139 261 12XX 0.02933 -0.01243 -0.00007 0.00185 0.18578 262 12YY -0.04808 0.01734 0.03430 -0.15061 0.17760 263 12ZZ 0.02609 -0.01145 0.05155 -0.10867 0.18425 264 12XY -0.03179 -0.03447 -0.03025 0.07112 0.05485 265 12XZ -0.04048 -0.00636 -0.09045 -0.03771 0.07005 266 12YZ -0.00408 -0.02708 0.00092 -0.00018 0.03398 267 29 C 1S 0.01637 0.01292 -0.03333 -0.01943 0.01182 268 2S -0.00326 0.00262 0.02817 0.02359 -0.00983 269 2PX 0.01813 -0.00055 -0.04367 -0.09454 0.06798 270 2PY -0.02142 -0.03523 -0.01175 0.04913 -0.07692 271 2PZ -0.00583 0.11296 0.01515 -0.00905 -0.03996 272 3S -0.39712 -0.29027 0.65501 0.35771 -0.30753 273 3PX -0.12834 0.22038 -0.21109 -0.14948 0.35737 274 3PY 0.09219 0.04437 -0.06141 -0.05351 -0.16179 275 3PZ 0.03317 0.54784 -0.15454 0.08956 -0.08942 276 4XX -0.00415 0.00077 -0.00112 0.00305 0.00656 277 4YY 0.00691 -0.00106 0.00355 -0.01117 -0.00475 278 4ZZ 0.00189 0.00373 -0.00935 0.00275 -0.00188 279 4XY 0.00105 -0.00287 0.00742 0.01270 0.00013 280 4XZ -0.00228 0.00158 0.01001 0.00485 0.00945 281 4YZ 0.00094 0.01214 -0.01003 -0.00644 -0.00222 282 30 H 1S -0.01116 0.01687 -0.05018 -0.05655 0.01386 283 2S 0.04287 0.15059 -0.48232 -0.51981 0.55836 284 31 H 1S 0.00844 -0.04171 0.01480 0.02654 0.02018 285 2S 0.16010 -0.52152 -0.14742 -0.01690 -0.02523 286 32 H 1S 0.01712 -0.02767 0.03068 0.03123 0.00193 287 2S 0.17954 0.08479 0.07371 0.05035 -0.00466 288 33 H 1S 0.00384 0.02273 0.03586 -0.05992 0.00642 289 2S -0.08792 0.27805 0.57937 -0.60378 0.40780 290 34 H 1S -0.00101 -0.00330 -0.00982 -0.05486 0.03651 291 2S 0.49842 0.24427 -0.26933 -0.35697 -0.03346 292 35 H 1S -0.01525 -0.01918 0.02039 0.03957 0.00161 293 2S -0.26903 -0.10951 0.48464 0.43121 0.00963 294 36 H 1S -0.01437 -0.02335 -0.02928 -0.04898 0.04145 295 2S -0.17903 -0.52844 -0.17129 0.25715 -0.54367 296 37 H 1S -0.01523 0.00655 -0.03262 0.01604 0.02099 297 2S 0.06221 -0.02540 -0.31314 0.13838 0.38462 298 38 H 1S 0.01912 0.03415 -0.04728 -0.00513 0.02130 299 2S -0.12239 0.05824 -0.01917 0.10359 0.19873 300 39 H 1S 0.05277 0.01624 0.03167 0.02217 -0.04868 301 2S 0.03116 -0.01446 0.18042 0.36679 -0.18306 302 40 H 1S 0.03023 0.03183 -0.02142 0.00473 -0.04143 303 2S 0.19283 0.46477 0.37647 -0.39856 -0.44801 106 107 108 109 110 V V V V V Eigenvalues -- 0.11503 0.12503 0.13228 0.14010 0.14451 1 1 C 1S -0.02043 -0.01145 -0.01997 0.01229 0.02921 2 2S 0.02261 0.01010 -0.00581 -0.02024 -0.00582 3 2PX -0.09254 0.05295 -0.05816 0.13725 -0.00555 4 2PY -0.05206 0.00685 -0.00384 -0.00429 -0.05143 5 2PZ -0.10944 -0.04622 0.01464 0.02264 -0.10284 6 3S 0.41515 0.20535 0.46492 -0.31846 -0.75459 7 3PX -0.29979 0.23949 0.02241 0.56518 -0.40292 8 3PY -0.22048 0.01085 -0.13376 -0.37384 -0.34292 9 3PZ -0.36598 -0.21025 0.01727 0.12181 -0.10439 10 4XX 0.00247 -0.00693 -0.01650 -0.00679 0.00446 11 4YY -0.00454 0.00473 0.01240 -0.00357 0.00264 12 4ZZ -0.00170 0.00082 -0.00363 0.00953 -0.00362 13 4XY 0.01176 0.00130 -0.00326 -0.01059 -0.00105 14 4XZ -0.00502 0.00061 -0.00609 0.00727 -0.01426 15 4YZ 0.00461 -0.00033 -0.00908 0.00670 -0.00369 16 2 C 1S 0.01498 0.00674 -0.01325 -0.00756 -0.02824 17 2S -0.03178 -0.01075 0.01752 -0.00417 0.01639 18 2PX -0.06138 0.02026 0.11218 -0.12764 -0.02122 19 2PY 0.06688 0.03164 0.11501 -0.09428 0.16076 20 2PZ -0.06836 0.00532 0.01542 0.12894 0.03043 21 3S -0.11460 -0.11995 0.25147 0.28371 0.66294 22 3PX -0.03857 0.05085 0.45244 -0.36912 0.14453 23 3PY 0.31321 0.14156 0.65443 -0.32923 0.75102 24 3PZ -0.34834 -0.01610 -0.03256 0.61571 0.22299 25 4XX 0.00095 -0.00233 -0.00003 0.00657 0.00134 26 4YY 0.00706 0.00433 -0.00993 -0.00007 -0.01280 27 4ZZ -0.00570 -0.00200 0.00868 -0.00778 0.00833 28 4XY -0.00526 -0.00631 -0.01201 0.00206 -0.00814 29 4XZ 0.00341 0.00575 0.00259 -0.00671 -0.00458 30 4YZ -0.00676 0.00267 0.00570 -0.00218 0.00348 31 3 C 1S -0.00735 0.00446 0.00921 0.00698 0.02345 32 2S 0.02256 -0.01754 -0.00806 -0.00482 -0.02270 33 2PX -0.02430 -0.05769 0.11043 -0.02632 0.18572 34 2PY 0.08646 0.07488 0.15798 -0.16188 0.01330 35 2PZ 0.10859 -0.03321 -0.08348 -0.05767 -0.07487 36 3S -0.05868 0.05293 -0.15089 -0.13311 -0.55881 37 3PX -0.02314 -0.14440 0.45009 -0.28166 0.75796 38 3PY 0.42763 0.30291 0.55606 -0.58626 0.06684 39 3PZ 0.34369 0.03353 -0.32477 -0.40442 -0.46043 40 4XX 0.00337 0.00520 0.00054 0.00116 -0.00404 41 4YY -0.00058 -0.00160 0.00312 -0.00267 0.00574 42 4ZZ -0.00759 -0.00414 -0.00401 0.00234 -0.00115 43 4XY 0.00118 -0.00408 0.00713 -0.01367 0.00803 44 4XZ -0.00033 -0.00192 0.00652 0.00490 -0.00484 45 4YZ 0.00424 -0.00469 -0.00970 0.00572 0.00470 46 4 C 1S 0.03422 -0.00455 -0.02142 -0.03354 0.00467 47 2S -0.04715 0.00036 0.00523 0.00232 0.00422 48 2PX -0.11182 -0.09908 0.11075 0.00924 0.09820 49 2PY -0.04466 -0.05520 -0.00884 -0.02978 -0.06579 50 2PZ 0.02315 -0.01946 0.03672 0.09874 0.03963 51 3S -0.63636 0.14958 0.55617 0.86926 -0.07436 52 3PX -0.58023 -0.17316 0.54177 0.31197 0.52250 53 3PY -0.19290 -0.15276 -0.20627 -0.24527 -0.23426 54 3PZ 0.07949 -0.14010 0.35666 0.71765 0.08542 55 4XX -0.00228 -0.00756 0.00023 0.01184 0.01326 56 4YY 0.00906 0.00526 0.00368 -0.01001 -0.00734 57 4ZZ -0.00178 0.00238 -0.00490 -0.00608 -0.00111 58 4XY -0.00079 -0.00162 -0.01265 0.01542 -0.00918 59 4XZ 0.00103 -0.00377 -0.00693 0.00095 0.00487 60 4YZ -0.00011 -0.00330 0.00694 0.01166 0.00317 61 5 C 1S 0.01863 0.00863 0.04554 0.02939 0.02236 62 2S -0.02255 -0.01384 -0.07244 -0.00752 -0.03375 63 2PX 0.04312 -0.11040 -0.11008 0.06969 0.05593 64 2PY 0.05155 -0.03001 -0.08734 -0.10882 0.07549 65 2PZ -0.11567 -0.00534 0.05354 0.17479 0.00002 66 3S -0.34445 -0.07664 -0.72088 -0.77215 -0.36641 67 3PX 0.35892 -0.55851 -0.11907 0.67750 0.47799 68 3PY 0.24407 -0.21834 -0.56088 -0.37186 0.06775 69 3PZ -0.49399 0.14404 0.44556 0.66408 0.22544 70 4XX 0.01432 0.00475 0.00336 -0.00271 -0.00282 71 4YY -0.00740 0.00431 -0.00834 0.01363 0.00255 72 4ZZ -0.00443 -0.00588 0.01013 -0.00469 0.00346 73 4XY 0.00978 -0.00297 0.00426 0.00285 -0.00187 74 4XZ -0.00147 0.00765 -0.00793 -0.00651 -0.00302 75 4YZ -0.00116 0.00367 -0.00801 -0.00842 -0.01748 76 6 C 1S -0.01227 0.01695 0.01180 0.02358 -0.02219 77 2S 0.02611 0.00786 0.00254 -0.00551 0.02797 78 2PX 0.06839 0.06858 0.07645 0.06533 -0.05301 79 2PY 0.13821 -0.04298 -0.01812 0.08240 0.11251 80 2PZ 0.05027 0.05374 -0.03673 -0.10061 -0.05629 81 3S 0.29456 -0.58922 -0.54890 -0.76443 0.41389 82 3PX 0.21556 0.09944 -0.04956 0.15409 -0.34586 83 3PY 0.60737 -0.33748 -0.05162 0.48396 0.54424 84 3PZ 0.01271 0.11452 -0.04965 -0.37909 -0.20481 85 4XX -0.00221 0.00164 -0.00827 0.01506 0.00938 86 4YY 0.00337 0.00265 0.00955 -0.00814 -0.00806 87 4ZZ 0.00189 -0.00237 -0.00184 -0.00417 -0.00234 88 4XY -0.01212 -0.00364 0.01235 0.01179 -0.00375 89 4XZ 0.01280 -0.00044 0.01019 -0.00047 0.01206 90 4YZ -0.00812 -0.00915 0.00675 0.00407 0.01263 91 7 C 1S 0.00368 -0.00399 0.02263 -0.01631 -0.02125 92 2S 0.00359 0.00339 -0.03846 -0.00444 -0.02669 93 2PX -0.04148 0.00140 -0.02436 0.01431 0.00775 94 2PY 0.10726 0.00809 0.00656 -0.02990 -0.04868 95 2PZ -0.07272 -0.01945 -0.06453 0.00968 -0.00644 96 3S -0.02983 0.00477 -0.29907 0.57603 0.89187 97 3PX -0.17258 0.22639 -0.30703 -0.46120 0.20723 98 3PY 0.18411 0.05207 0.18490 0.32276 0.28669 99 3PZ -0.26201 0.02279 -0.08069 -0.03122 -0.06885 100 4XX -0.00333 -0.00816 0.01158 0.00592 -0.00710 101 4YY 0.00580 0.00709 -0.00376 -0.00934 -0.00419 102 4ZZ -0.00116 -0.00055 -0.00413 0.00149 0.00482 103 4XY 0.01115 -0.01030 -0.00467 0.00817 0.01121 104 4XZ -0.00111 0.00304 0.01315 0.00204 -0.00478 105 4YZ 0.00586 -0.00220 0.00002 0.00022 -0.00384 106 8 C 1S -0.02793 0.02225 -0.01789 -0.00473 0.00717 107 2S 0.02883 -0.01116 0.02489 -0.02888 -0.01126 108 2PX 0.02492 -0.00921 -0.11842 -0.03002 0.05966 109 2PY 0.00268 -0.15034 -0.04580 -0.00230 -0.04846 110 2PZ 0.06378 -0.02027 -0.06566 0.01913 -0.00957 111 3S 0.50947 -0.50034 0.37604 0.47993 -0.26770 112 3PX -0.06317 -0.09864 -0.29124 0.03398 0.40535 113 3PY 0.05423 -0.71828 -0.11194 0.20422 -0.28529 114 3PZ 0.22063 0.05528 -0.11765 -0.11297 -0.01531 115 4XX -0.01433 0.00076 0.00204 0.00583 -0.01096 116 4YY -0.00197 0.01059 -0.00164 -0.00995 0.01309 117 4ZZ 0.00962 -0.00900 -0.00253 0.00319 -0.00846 118 4XY -0.00993 0.01161 0.00002 -0.00955 -0.01091 119 4XZ -0.00165 -0.00468 -0.00834 -0.00487 0.00499 120 4YZ -0.00042 -0.01124 0.00240 -0.00004 0.00232 121 9 C 1S 0.01879 -0.06346 -0.00156 -0.02351 0.06215 122 2S -0.01850 0.06023 -0.01024 0.03061 -0.07099 123 2PX -0.04452 -0.10113 -0.01388 0.09367 -0.17223 124 2PY 0.02125 -0.01596 -0.00652 0.03997 0.08558 125 2PZ -0.16221 0.08789 0.00125 -0.08873 0.04218 126 3S -0.49280 1.31749 0.20938 0.44022 -1.19957 127 3PX -0.32361 -0.50447 -0.18723 0.39332 -0.86224 128 3PY -0.05917 0.05837 0.13976 0.32361 0.23911 129 3PZ -0.44906 0.23716 -0.04008 -0.38318 0.31396 130 4XX -0.00030 0.00588 -0.00042 -0.00288 0.01081 131 4YY -0.00421 0.00089 0.00996 0.00278 -0.00564 132 4ZZ 0.00294 -0.01359 -0.00744 -0.00134 0.00145 133 4XY 0.00398 -0.00892 -0.01128 -0.00544 -0.00881 134 4XZ 0.00088 -0.00415 0.00269 0.00710 -0.00073 135 4YZ 0.00837 0.00066 0.00160 0.00854 0.00078 136 10 C 1S -0.01011 0.00394 -0.05047 0.01047 0.01782 137 2S 0.01014 -0.00950 0.06862 0.00997 -0.02130 138 2PX -0.01132 -0.06195 0.02220 -0.01480 -0.03235 139 2PY 0.03308 0.09741 0.08129 0.00811 -0.06160 140 2PZ -0.10966 -0.02148 -0.06254 -0.05405 0.06246 141 3S 0.20214 -0.03116 0.87239 -0.36238 -0.42857 142 3PX 0.36674 -0.22167 0.20928 0.00113 0.03761 143 3PY 0.11366 0.58311 0.57795 0.04376 -0.24564 144 3PZ -0.31220 -0.10119 -0.54188 -0.42089 -0.05411 145 4XX -0.00932 -0.00663 -0.01164 -0.00658 -0.00721 146 4YY 0.01036 -0.00951 -0.00047 0.00510 0.00016 147 4ZZ -0.00025 0.01592 0.00814 0.00701 0.01014 148 4XY -0.01345 0.00459 0.00406 -0.00224 -0.00343 149 4XZ -0.00309 -0.00416 0.01295 -0.00287 -0.00501 150 4YZ -0.00220 -0.00768 0.00441 -0.00903 -0.00248 151 11 C 1S 0.02370 0.04701 0.03843 0.04515 -0.00370 152 2S -0.01599 -0.04062 -0.02826 -0.05575 -0.01170 153 2PX -0.03975 -0.05569 0.05775 -0.14934 0.05420 154 2PY 0.10440 -0.09935 0.14320 0.04226 -0.07555 155 2PZ -0.10129 -0.05267 0.13314 -0.02078 0.06355 156 3S -0.47769 -1.06221 -0.80220 -0.81783 0.02390 157 3PX -0.20453 0.03806 0.36020 -0.57266 -0.09557 158 3PY 0.62313 -0.38740 0.74337 0.23788 -0.31748 159 3PZ -0.29702 -0.30488 0.44168 -0.14626 0.15736 160 4XX 0.00836 -0.00007 0.00992 0.01087 0.00069 161 4YY 0.00497 -0.00389 0.00217 0.00100 -0.00568 162 4ZZ -0.01107 0.00916 -0.00777 -0.00724 -0.00164 163 4XY -0.00038 0.00971 0.00219 -0.00166 -0.00489 164 4XZ -0.00346 0.00527 -0.00744 0.00761 0.00507 165 4YZ 0.01094 0.01297 -0.00740 0.00651 0.00770 166 12 H 1S -0.05619 -0.01719 -0.00223 -0.02815 0.01904 167 2S -0.64671 0.28419 0.30914 -0.28179 0.37809 168 13 H 1S -0.00009 0.10473 -0.07454 0.02572 0.03064 169 2S 0.18686 1.06659 -0.79946 0.50011 0.06940 170 14 C 1S -0.00609 -0.03769 -0.01364 -0.03766 -0.02496 171 2S -0.00127 0.03682 0.02622 0.03001 0.01909 172 2PX -0.10302 0.02779 -0.08337 -0.05681 0.05627 173 2PY -0.04727 -0.00911 -0.00535 -0.00032 0.00689 174 2PZ 0.09103 -0.10365 0.05360 0.09415 0.00728 175 3S 0.13530 0.64643 0.18605 0.69641 0.57925 176 3PX -0.41339 0.03023 -0.38992 -0.31175 0.22460 177 3PY -0.27913 0.04066 0.07342 0.18921 -0.12826 178 3PZ 0.48018 -0.20224 0.07550 0.57880 0.16601 179 4XX 0.00253 -0.00201 -0.02182 -0.01101 0.01002 180 4YY 0.00327 -0.00346 0.02000 0.00337 -0.00531 181 4ZZ -0.00483 -0.00403 0.00288 -0.00040 -0.00644 182 4XY 0.00232 0.00226 -0.00222 0.01164 0.00542 183 4XZ 0.00802 0.00662 -0.00446 0.00596 -0.00597 184 4YZ 0.00359 -0.00585 -0.00138 0.00031 0.00397 185 15 H 1S 0.01350 -0.00088 0.01314 0.03759 0.00720 186 2S 0.56316 -0.35232 0.20322 0.08839 -0.26103 187 16 H 1S 0.02487 -0.04260 0.00950 0.03636 -0.01840 188 2S 0.17504 -0.55197 -0.00429 0.26327 -0.07585 189 17 C 1S -0.00547 -0.00527 -0.02661 -0.01917 0.04166 190 2S 0.02292 0.01976 0.01626 0.01813 -0.02933 191 2PX 0.07124 -0.03605 -0.09576 -0.02351 0.09258 192 2PY 0.03529 0.01375 -0.11826 -0.10556 -0.02691 193 2PZ 0.05387 0.02178 -0.03608 0.04367 0.02063 194 3S -0.04947 -0.00451 0.55291 0.40233 -0.81677 195 3PX 0.34918 -0.05459 -0.41280 -0.20921 0.58626 196 3PY 0.06629 -0.04625 -0.62079 -0.55072 -0.07247 197 3PZ 0.15000 0.11313 -0.13319 0.24840 -0.00710 198 4XX 0.00129 -0.00037 -0.00258 -0.00262 0.01019 199 4YY -0.00299 -0.00478 -0.00707 0.00671 -0.00823 200 4ZZ -0.00147 0.00546 0.00508 -0.00606 0.00372 201 4XY -0.00269 -0.00189 -0.01367 -0.01493 0.00541 202 4XZ -0.00015 -0.00025 0.00798 0.00609 -0.00569 203 4YZ -0.00542 -0.00244 0.00772 0.00108 -0.01005 204 18 C 1S -0.00820 0.03295 0.03835 0.04368 -0.06827 205 2S -0.01091 -0.02677 -0.04528 -0.03725 0.04062 206 2PX 0.04697 -0.06813 -0.12636 -0.02346 -0.05874 207 2PY 0.00423 0.12777 -0.07839 -0.11968 0.12855 208 2PZ 0.12627 0.05006 0.12016 0.03109 0.04934 209 3S 0.33370 -0.63080 -0.68855 -0.81319 1.41855 210 3PX 0.14711 -0.09711 -0.40095 -0.04465 -0.51968 211 3PY 0.14493 0.35309 -0.32414 -0.69706 0.84770 212 3PZ 0.40032 0.09391 0.48780 0.11138 0.27947 213 4XX 0.00525 0.00264 0.00044 0.01216 -0.00888 214 4YY -0.00106 0.00003 0.00037 0.00496 -0.01079 215 4ZZ -0.00461 0.00445 0.00238 -0.00929 0.00698 216 4XY -0.00291 0.00279 0.00639 -0.00038 0.01019 217 4XZ 0.01259 -0.00242 -0.00608 -0.00617 0.01437 218 4YZ -0.00246 0.00456 -0.00373 -0.00069 0.00031 219 19 H 1S 0.00762 0.05200 0.00307 -0.03762 0.05304 220 2S 0.41397 0.64278 0.31595 -0.09895 0.19218 221 20 H 1S 0.01416 0.00431 -0.01245 -0.03201 0.00212 222 2S -0.44884 0.46784 -0.13715 -0.20961 -0.02801 223 21 H 1S -0.04726 -0.01116 0.04600 -0.01335 -0.03824 224 2S -0.43463 -0.09425 0.47659 0.01044 0.05255 225 22 H 1S 0.00972 0.00773 0.02037 0.02322 0.01646 226 2S -0.12517 0.12619 -0.11455 -0.09505 -0.13869 227 23 H 1S -0.03514 0.00286 0.03329 -0.01842 0.00423 228 2S -0.36169 0.19577 -0.30124 -0.21025 0.06648 229 24 H 1S 0.06344 -0.07179 -0.01396 0.03092 -0.00511 230 2S 0.74175 -0.69632 -0.05006 -0.04100 0.24734 231 25 H 1S 0.01814 -0.03966 -0.00633 0.00751 0.04579 232 2S -0.01774 -0.52507 -0.26438 0.04848 -0.24349 233 26 H 1S 0.03178 -0.02147 -0.00206 0.02971 -0.02135 234 2S -0.39848 0.13003 0.12030 0.04057 0.02635 235 27 H 1S 0.04492 -0.03563 -0.01096 0.00230 0.04861 236 2S 0.31518 0.07226 0.15095 -0.24051 0.04261 237 28 Br 1S -0.00219 -0.00310 -0.00399 0.00044 -0.00564 238 2S 0.01597 0.02423 0.03120 -0.00359 0.04721 239 3S -0.02188 -0.03632 -0.04680 0.00574 -0.07617 240 4S -0.03102 -0.04159 -0.05349 0.00544 -0.07188 241 5S 0.13346 0.26539 0.34464 -0.03932 0.68331 242 6S -0.21134 -0.45763 -0.61535 0.05555 -1.32703 243 7PX 0.00305 0.00407 0.00538 0.00725 0.00192 244 7PY -0.00080 -0.00242 -0.00552 -0.00280 -0.00832 245 7PZ 0.00001 0.00016 -0.00032 0.00144 0.00021 246 8PX -0.00956 -0.01294 -0.01677 -0.02296 -0.00620 247 8PY 0.00270 0.00774 0.01760 0.00894 0.02628 248 8PZ -0.00005 -0.00053 0.00083 -0.00464 -0.00093 249 9PX 0.02008 0.03735 0.03011 0.05913 0.02279 250 9PY -0.01589 -0.02439 -0.05351 -0.02744 -0.06379 251 9PZ 0.00125 0.00190 0.00556 0.01728 0.01738 252 10PX 0.00094 -0.02844 0.06493 -0.00429 -0.04889 253 10PY 0.06298 0.01977 0.03613 0.01381 -0.02394 254 10PZ -0.02719 0.01865 -0.03782 -0.05503 -0.08686 255 11XX 0.02045 0.01178 0.03895 -0.00432 0.03845 256 11YY 0.01060 0.02571 0.02340 0.00889 0.04022 257 11ZZ -0.00035 0.01440 0.00446 -0.01278 0.03188 258 11XY 0.00962 0.00166 0.02158 0.01029 0.00081 259 11XZ -0.00760 0.00141 0.01151 0.00923 -0.01446 260 11YZ 0.01067 0.00008 -0.01148 -0.00848 -0.01782 261 12XX 0.00212 0.12468 0.06801 -0.00478 0.28236 262 12YY 0.05340 0.06881 0.13376 -0.06474 0.27378 263 12ZZ 0.07952 0.12387 0.20953 0.01401 0.30332 264 12XY -0.04424 -0.00912 -0.08985 -0.04715 -0.00518 265 12XZ 0.02724 -0.00904 -0.04238 -0.03831 0.05258 266 12YZ -0.04085 -0.00085 0.04657 0.03367 0.06891 267 29 C 1S -0.03137 -0.01603 0.01368 -0.03360 -0.02994 268 2S 0.02022 0.02246 -0.03352 0.05086 0.03339 269 2PX 0.09158 0.07685 0.02244 -0.03969 -0.09797 270 2PY 0.04094 0.16052 -0.08672 0.13275 0.09368 271 2PZ 0.02054 -0.14382 -0.04191 0.08256 0.11465 272 3S 0.69857 0.25013 -0.32604 0.63662 0.58718 273 3PX 0.35654 0.39625 0.00648 -0.23538 -0.33264 274 3PY -0.12859 0.43679 -0.22210 0.56240 0.17281 275 3PZ -0.06980 -0.49024 -0.26622 0.01089 0.24611 276 4XX 0.00806 0.00168 0.00478 -0.01214 -0.00496 277 4YY -0.01093 -0.00607 0.00890 0.00208 0.00270 278 4ZZ -0.00385 0.00035 -0.01616 0.00599 -0.00410 279 4XY -0.00915 -0.01390 0.00331 -0.00391 0.00247 280 4XZ -0.00895 0.00641 0.00093 0.00430 -0.00331 281 4YZ -0.00119 -0.00294 -0.00500 -0.00293 -0.00160 282 30 H 1S 0.06277 0.03004 0.01615 -0.04260 -0.03582 283 2S 0.25716 0.16054 0.37797 -0.82596 -0.82815 284 31 H 1S -0.02659 0.05159 -0.01232 0.02920 -0.02889 285 2S -0.42463 0.62279 0.09294 0.10183 -0.28981 286 32 H 1S -0.04999 -0.07146 0.04972 -0.04733 0.00806 287 2S -0.62240 -1.02551 0.37153 -0.57948 -0.04634 288 33 H 1S 0.02364 -0.01658 0.02121 0.01572 -0.01418 289 2S 0.25488 -0.29080 0.00789 0.17495 -0.06329 290 34 H 1S 0.03635 0.01504 -0.04574 0.02170 -0.06535 291 2S 0.77917 0.28040 -0.38150 -0.06489 -0.17535 292 35 H 1S -0.02838 -0.03667 -0.04697 0.04448 0.03849 293 2S -0.68808 -0.26166 -0.19196 0.85335 0.56877 294 36 H 1S -0.03516 -0.00489 0.01725 0.03505 -0.01891 295 2S 0.05817 -0.25014 -0.29088 0.04575 0.10159 296 37 H 1S -0.02399 0.02085 0.04411 -0.03053 0.02733 297 2S -0.03100 0.16059 0.40340 0.09615 0.45347 298 38 H 1S 0.00296 -0.00185 0.03636 0.00663 0.00788 299 2S -0.05542 0.06889 0.24075 -0.54288 -0.42731 300 39 H 1S 0.02666 0.01801 -0.02165 0.05533 -0.00462 301 2S 0.34733 0.15817 -0.15715 0.25598 0.57989 302 40 H 1S 0.01306 0.01054 0.02852 -0.05060 0.02954 303 2S -0.41700 0.10969 -0.24390 0.11520 -0.09243 111 112 113 114 115 V V V V V Eigenvalues -- 0.15375 0.16122 0.16339 0.17844 0.17972 1 1 C 1S 0.03102 0.02744 -0.00834 -0.00600 -0.01320 2 2S 0.00815 0.02443 0.02834 -0.03263 -0.02557 3 2PX -0.08449 -0.09272 0.00441 -0.06596 0.09165 4 2PY 0.00342 0.00949 0.00476 -0.03283 -0.03945 5 2PZ 0.01351 -0.03370 -0.06292 0.08563 0.09148 6 3S -0.91139 -0.83972 -0.08673 0.21817 0.51391 7 3PX -0.61229 -0.91356 -0.33568 -0.11338 0.94634 8 3PY 0.02214 0.01915 0.42067 -0.03507 -0.34290 9 3PZ 0.44531 0.12846 -0.41543 -0.09841 0.27072 10 4XX 0.01235 0.01361 0.00427 -0.01075 -0.01017 11 4YY -0.00708 -0.00212 0.00193 0.00334 -0.00322 12 4ZZ 0.00207 -0.00309 -0.00543 0.00017 0.00863 13 4XY -0.00504 -0.00079 -0.00696 0.00214 0.01579 14 4XZ -0.00392 -0.01860 -0.00049 -0.01043 0.01057 15 4YZ -0.01131 -0.00102 0.00967 0.01092 0.00019 16 2 C 1S -0.01432 -0.01701 0.03436 -0.02029 -0.00581 17 2S 0.00927 -0.02844 -0.01899 0.00774 -0.01615 18 2PX 0.06535 -0.01237 -0.02574 -0.05025 -0.05323 19 2PY -0.03139 0.12355 0.01109 0.07177 -0.09143 20 2PZ 0.00370 -0.04266 -0.04330 -0.06689 0.09850 21 3S 0.22846 0.66426 -0.77428 0.44224 0.24262 22 3PX 0.45857 0.37521 -0.44622 0.05066 -0.06986 23 3PY -0.11537 0.54143 0.03538 0.21415 -0.49862 24 3PZ 0.01177 -0.20327 -0.19506 -0.14587 0.42429 25 4XX -0.01581 0.00133 0.00098 0.01325 0.00643 26 4YY 0.00644 -0.00677 0.00004 -0.01422 0.00698 27 4ZZ 0.00748 0.00394 0.00510 -0.00606 -0.01750 28 4XY -0.00588 -0.00318 0.01572 0.00069 -0.00337 29 4XZ 0.00168 -0.00268 -0.00105 -0.01077 -0.00109 30 4YZ 0.00154 0.00057 -0.00604 -0.00190 0.00326 31 3 C 1S 0.03766 0.01879 -0.04225 -0.01472 0.01515 32 2S -0.04331 0.00776 0.03920 0.00716 -0.01006 33 2PX -0.10376 0.07095 0.03792 0.11859 -0.09291 34 2PY 0.07654 0.07206 -0.11269 -0.03305 -0.06766 35 2PZ 0.02014 0.05225 0.00819 -0.07451 -0.01910 36 3S -0.70214 -0.48084 0.79446 0.43363 -0.24159 37 3PX -0.58718 0.40631 0.48723 0.86522 -0.68192 38 3PY 0.23484 0.69923 -0.46489 0.03457 -0.11513 39 3PZ 0.13563 0.00879 -0.02453 -0.26840 0.01630 40 4XX 0.01798 0.00460 -0.01199 -0.01195 0.00453 41 4YY -0.00606 0.00815 -0.00098 0.00788 -0.00217 42 4ZZ -0.00875 -0.00811 0.00708 0.00350 0.00235 43 4XY -0.00287 -0.00120 0.00919 0.00613 -0.01543 44 4XZ -0.00407 0.00228 0.00206 0.01612 -0.00644 45 4YZ -0.00196 -0.00052 0.00472 -0.00533 -0.00285 46 4 C 1S -0.05367 -0.01879 0.05283 0.00839 -0.02087 47 2S 0.06847 -0.01281 -0.03728 -0.03337 0.00860 48 2PX -0.09111 -0.01285 0.08878 0.21009 -0.10651 49 2PY 0.16443 -0.12751 -0.07261 -0.07414 0.06852 50 2PZ 0.03369 -0.01229 -0.04069 -0.04853 0.01137 51 3S 1.10439 0.59628 -1.09704 -0.16654 0.53134 52 3PX -0.24746 0.14658 0.36611 0.96560 -0.45214 53 3PY 0.54134 -0.77750 0.01445 -0.47511 0.01719 54 3PZ 0.16762 0.17522 -0.16527 -0.11086 0.01251 55 4XX -0.01209 -0.00010 0.00070 0.00049 0.00715 56 4YY 0.00887 0.00728 0.01025 -0.00312 -0.00559 57 4ZZ 0.00031 -0.00977 -0.00272 -0.00269 -0.00354 58 4XY 0.00177 -0.00300 -0.00865 0.00106 0.00787 59 4XZ -0.00292 -0.00652 0.00088 -0.01764 0.00212 60 4YZ -0.00309 0.00547 -0.01021 0.00065 -0.00423 61 5 C 1S 0.00934 0.01109 -0.06632 0.03840 0.02951 62 2S -0.01074 -0.01464 0.07587 -0.06804 -0.02154 63 2PX -0.01686 0.08956 -0.00910 -0.15189 0.05228 64 2PY -0.10592 0.06133 -0.13484 -0.01271 0.17146 65 2PZ -0.05644 0.17935 -0.10334 0.15080 0.02805 66 3S -0.05589 -0.40606 1.55517 -0.55568 -0.83608 67 3PX -0.15422 0.25475 -0.34772 -0.97505 -0.00400 68 3PY -0.61029 -0.02131 -0.89023 -0.24554 0.58582 69 3PZ -0.21864 0.94509 -0.07915 0.76892 0.09368 70 4XX 0.01286 -0.01159 -0.00320 0.01053 0.00423 71 4YY -0.00440 -0.00743 -0.00858 -0.01105 -0.00589 72 4ZZ -0.00604 0.01495 0.01120 0.00704 0.00346 73 4XY -0.00799 0.00065 -0.00033 -0.00462 0.00130 74 4XZ 0.00559 -0.00068 0.00449 -0.01317 -0.00716 75 4YZ 0.00739 0.00708 -0.00156 0.00190 0.00194 76 6 C 1S -0.00494 -0.02498 0.02013 0.01754 0.00943 77 2S -0.01156 0.01297 0.00639 -0.02814 -0.03466 78 2PX -0.18571 -0.17266 -0.11680 -0.00518 0.19743 79 2PY 0.03376 0.05166 -0.09847 -0.00459 0.01594 80 2PZ 0.01357 0.05966 0.04554 0.02732 -0.11251 81 3S 0.16434 0.73464 -0.57771 -0.52034 -0.30379 82 3PX -0.92206 -0.86397 -0.82718 -0.26866 1.02653 83 3PY 0.14774 0.27591 -0.71276 -0.39097 0.26165 84 3PZ 0.11556 -0.04258 0.45003 0.14426 -0.39058 85 4XX -0.00912 0.00473 0.00785 -0.00963 -0.01370 86 4YY 0.00112 -0.00423 0.00445 0.00702 0.00015 87 4ZZ 0.00633 -0.00173 -0.00972 -0.00578 0.00951 88 4XY -0.00269 -0.00670 0.00576 -0.00158 -0.01435 89 4XZ -0.00256 0.01283 0.00126 0.01884 0.00349 90 4YZ -0.00509 0.00316 -0.00228 -0.00979 0.01337 91 7 C 1S -0.01060 -0.01011 -0.01167 -0.01375 -0.01159 92 2S 0.00204 0.00189 0.04160 0.05031 0.02031 93 2PX 0.05072 0.02493 0.15931 0.06829 -0.03415 94 2PY 0.04300 -0.00006 0.04947 0.11524 -0.01422 95 2PZ -0.09047 -0.03757 -0.03846 0.06443 0.00575 96 3S 0.27986 0.42135 0.05121 -0.07704 0.29589 97 3PX 0.31598 0.39791 0.74673 0.34056 -0.15494 98 3PY 0.32134 0.17011 0.05875 -0.02425 -0.08431 99 3PZ -0.18644 -0.09601 -0.16986 0.03353 0.23069 100 4XX 0.00021 -0.00331 0.00145 -0.00002 -0.01400 101 4YY -0.01015 -0.00092 -0.00030 0.00617 0.00662 102 4ZZ 0.00498 0.00497 0.00015 -0.00436 0.01180 103 4XY -0.00576 0.00468 -0.00765 -0.00228 0.00720 104 4XZ 0.00362 -0.00233 0.01723 -0.00281 -0.00078 105 4YZ 0.01307 0.00125 0.00385 0.00871 -0.01032 106 8 C 1S 0.00738 -0.00298 0.02423 0.00151 0.01020 107 2S 0.01961 -0.01544 0.00224 0.01418 -0.01608 108 2PX 0.01384 0.04920 0.00416 0.08598 0.05670 109 2PY 0.04901 0.00653 -0.03730 -0.03955 -0.05350 110 2PZ 0.01677 0.06518 -0.01937 0.01844 0.02596 111 3S -0.42137 0.26903 -0.69146 -0.22092 -0.03977 112 3PX 0.03591 0.48032 0.36708 0.17979 0.06946 113 3PY 0.08351 0.13382 -0.22470 -0.03146 -0.30963 114 3PZ 0.16812 0.17077 0.24524 0.09782 0.11477 115 4XX 0.00587 -0.00186 0.02115 0.00841 -0.00696 116 4YY -0.00321 -0.00772 -0.00592 -0.00842 0.00725 117 4ZZ -0.00260 0.01003 -0.01117 0.00114 0.00453 118 4XY -0.00158 -0.00524 -0.00243 -0.00210 -0.00084 119 4XZ 0.00141 -0.00483 -0.00560 0.01185 -0.01114 120 4YZ 0.00748 -0.01145 0.00084 0.00298 -0.01007 121 9 C 1S -0.00873 -0.05081 0.00372 0.01262 -0.02372 122 2S -0.00151 0.04170 -0.00520 -0.02954 0.02477 123 2PX 0.13621 0.07943 -0.06844 0.06933 -0.17758 124 2PY -0.07611 0.06500 -0.01704 -0.05041 0.02652 125 2PZ -0.00368 -0.11532 -0.01315 -0.01275 -0.10974 126 3S 0.24158 1.18818 -0.06732 -0.08068 0.48035 127 3PX 0.19649 0.46447 -0.41521 0.17590 -0.75690 128 3PY -0.22924 0.70848 -0.05538 -0.45992 0.26164 129 3PZ 0.02922 -0.84459 -0.06586 -0.02626 -0.57966 130 4XX -0.00741 0.00477 -0.01666 -0.00217 -0.00148 131 4YY 0.00424 0.00781 0.01679 0.00091 0.00957 132 4ZZ 0.00141 -0.01190 0.00237 0.00050 -0.00924 133 4XY -0.00401 0.00298 -0.01014 -0.00840 0.00286 134 4XZ -0.00475 0.00377 0.00028 0.00544 -0.01038 135 4YZ -0.00303 0.00648 -0.00666 -0.01127 0.01213 136 10 C 1S -0.00968 0.06438 0.01438 -0.08164 -0.00168 137 2S 0.01937 -0.06042 0.00962 0.09415 -0.00073 138 2PX -0.04393 -0.19100 0.18546 -0.06738 -0.06260 139 2PY 0.02012 -0.05071 0.03819 0.06756 0.23965 140 2PZ 0.07827 -0.03803 0.06927 0.07729 -0.13808 141 3S 0.10791 -1.49357 -0.33261 1.76984 0.08696 142 3PX 0.19564 -1.25587 0.81992 -0.29365 -0.36316 143 3PY 0.23608 0.01094 0.62236 0.55259 0.97026 144 3PZ 0.20494 -0.32345 0.04476 0.13949 -0.53910 145 4XX 0.01104 -0.00132 0.01214 -0.00025 -0.00311 146 4YY -0.00852 -0.00461 -0.01519 -0.00062 -0.00758 147 4ZZ -0.00128 0.00468 0.00861 0.00124 0.00992 148 4XY -0.00131 0.00375 -0.01048 0.00214 -0.00605 149 4XZ -0.00327 0.00690 -0.00623 0.00448 0.00568 150 4YZ 0.00980 -0.00585 -0.00372 -0.00601 -0.00285 151 11 C 1S 0.03178 -0.07504 -0.02988 0.02407 -0.02189 152 2S -0.01843 0.04605 0.05095 -0.00939 0.03201 153 2PX -0.00254 0.01499 0.08443 0.04761 0.27811 154 2PY -0.02433 -0.08549 0.08642 0.03957 0.00236 155 2PZ 0.02001 -0.04382 -0.15627 -0.04989 -0.03554 156 3S -0.76371 1.69448 0.44069 -0.55033 0.47950 157 3PX 0.01029 0.03311 0.48602 0.33207 1.26564 158 3PY 0.02445 -0.82475 0.41803 0.31033 -0.00032 159 3PZ -0.08577 0.00851 -0.72759 -0.32716 -0.09142 160 4XX -0.00425 0.00004 -0.01165 0.00612 0.00724 161 4YY 0.00846 -0.01384 0.01115 0.00099 -0.00026 162 4ZZ -0.00190 0.00580 -0.00482 -0.00549 -0.00554 163 4XY -0.00893 -0.00854 0.00645 0.00732 0.01241 164 4XZ 0.01052 0.01776 0.00991 -0.00055 0.00602 165 4YZ -0.00839 0.00140 -0.00429 0.00083 -0.00471 166 12 H 1S 0.09952 0.01718 -0.00750 -0.01391 0.00360 167 2S 0.49614 -0.24758 -0.82972 -0.12818 0.31767 168 13 H 1S -0.00878 0.02091 0.01031 0.01072 -0.02728 169 2S 0.21182 -0.01787 0.04695 0.21113 -0.44141 170 14 C 1S -0.06988 0.04297 0.00770 -0.01221 0.02387 171 2S 0.05905 -0.01564 -0.01637 0.01233 -0.00523 172 2PX 0.12473 0.02707 0.16026 -0.03836 0.10620 173 2PY -0.14947 -0.08161 -0.06749 -0.08444 -0.17025 174 2PZ 0.17972 -0.00053 -0.02302 0.02599 -0.00467 175 3S 1.38769 -1.03045 -0.06190 0.17090 -0.59082 176 3PX 0.29122 0.47248 0.68650 -0.05806 0.67855 177 3PY -0.64638 -0.16371 -0.47153 -0.45761 -0.82535 178 3PZ 0.82208 -0.19564 0.05738 0.25907 -0.25114 179 4XX 0.00167 0.00676 0.00088 -0.00063 0.00111 180 4YY -0.00514 -0.00657 0.00698 -0.00131 0.00410 181 4ZZ -0.00570 0.00420 -0.00677 0.00125 0.00004 182 4XY 0.01536 -0.00506 -0.00223 -0.00343 -0.01701 183 4XZ -0.00447 -0.00991 -0.01057 0.00914 -0.01322 184 4YZ 0.01212 0.00386 0.00017 0.01049 0.01210 185 15 H 1S 0.02886 0.02782 0.02572 -0.04103 -0.04147 186 2S 0.01593 0.33650 -0.09561 0.29465 0.27563 187 16 H 1S 0.03114 -0.00327 -0.02441 0.05006 -0.00804 188 2S 0.04264 0.12156 -0.05500 -0.07106 -0.27402 189 17 C 1S 0.06415 -0.03384 -0.01163 0.02712 0.00866 190 2S -0.06036 0.00430 0.03151 0.00036 -0.01147 191 2PX 0.11715 0.02433 -0.14045 0.06773 0.03239 192 2PY -0.09627 -0.11425 -0.08557 0.08987 -0.04346 193 2PZ 0.18118 0.00035 0.15622 0.07571 0.07868 194 3S -1.24877 0.90535 0.00416 -0.73815 -0.15310 195 3PX 0.68421 -0.30644 -0.53582 0.53905 0.11807 196 3PY -0.48613 -0.31991 -0.44850 0.34785 -0.17629 197 3PZ 0.88016 0.06854 0.60503 0.28843 0.38313 198 4XX -0.00205 -0.00426 -0.01151 0.00075 -0.00334 199 4YY 0.00988 -0.00045 -0.00507 0.00519 -0.01195 200 4ZZ 0.00012 0.00227 0.01439 -0.00198 0.01685 201 4XY -0.00836 -0.00596 -0.00182 0.00868 0.00174 202 4XZ 0.01759 -0.00393 0.00339 0.00579 -0.00103 203 4YZ -0.01804 0.00278 -0.00029 -0.00699 -0.00970 204 18 C 1S 0.00104 0.05277 0.01738 -0.01630 -0.00341 205 2S -0.00993 -0.02469 -0.03841 0.03510 0.00327 206 2PX 0.02208 -0.01781 -0.06467 0.05243 -0.05468 207 2PY -0.03092 -0.04318 -0.12762 0.06488 0.03994 208 2PZ -0.05664 -0.03789 0.04043 -0.09112 0.02398 209 3S 0.04455 -1.19810 -0.21313 0.22971 0.05645 210 3PX 0.16914 0.05140 -0.47278 0.41091 -0.24209 211 3PY 0.00504 -0.68378 -0.47507 0.39512 0.17032 212 3PZ -0.46034 0.00844 0.24585 -0.40858 0.23820 213 4XX 0.01924 0.00936 0.00660 0.00186 0.01029 214 4YY -0.01018 0.00957 0.00178 -0.00467 -0.00217 215 4ZZ -0.00800 -0.01128 -0.00968 0.00514 -0.00957 216 4XY -0.00456 0.00045 0.01545 -0.00049 0.00677 217 4XZ 0.00142 -0.01070 -0.00273 -0.00093 0.01317 218 4YZ 0.00967 0.00595 -0.00592 0.00783 0.00319 219 19 H 1S -0.00970 -0.01874 -0.02759 0.02635 0.02239 220 2S -0.31819 -0.03611 -0.18954 -0.04777 0.20665 221 20 H 1S -0.05805 -0.02193 -0.04122 -0.02252 0.00684 222 2S 0.06648 0.13658 -0.25673 0.22029 0.08496 223 21 H 1S -0.03885 0.00584 0.02872 -0.03222 -0.01165 224 2S -0.29229 0.00884 -0.11107 -0.45896 -0.20410 225 22 H 1S -0.04447 -0.02575 -0.00994 -0.03538 -0.03796 226 2S -0.02812 -0.39764 0.50168 0.08883 -0.05105 227 23 H 1S 0.01079 0.00728 0.00918 -0.03869 0.01630 228 2S 0.26412 0.00200 0.65303 -0.28377 0.02340 229 24 H 1S -0.01023 0.00214 0.00446 -0.00881 0.03120 230 2S -0.04430 -0.21019 0.20285 0.26072 0.41034 231 25 H 1S 0.02464 -0.03410 -0.02212 -0.03394 -0.00991 232 2S 0.31353 -0.01000 -0.11164 -0.05980 -0.24439 233 26 H 1S -0.02279 0.03038 -0.04983 -0.00512 0.02009 234 2S -0.08032 -0.24514 -0.01982 -0.12459 -0.08351 235 27 H 1S -0.02919 0.02426 -0.03527 -0.02111 0.00923 236 2S 0.41409 0.27367 0.55918 0.12100 -0.36500 237 28 Br 1S -0.00181 0.00128 -0.00290 0.01244 0.00254 238 2S 0.01552 -0.00908 0.02269 -0.10354 -0.02047 239 3S -0.02567 0.01213 -0.03424 0.16619 0.03161 240 4S -0.02245 0.01806 -0.03827 0.15980 0.03410 241 5S 0.24787 -0.05645 0.31531 -1.43469 -0.29249 242 6S -0.49087 0.06556 -0.59530 2.74731 0.57296 243 7PX -0.00445 -0.00159 0.00137 0.00834 0.00513 244 7PY -0.00234 -0.00270 -0.00128 0.02017 -0.00179 245 7PZ 0.00199 0.00264 0.00214 0.00681 0.00552 246 8PX 0.01406 0.00495 -0.00432 -0.02639 -0.01637 247 8PY 0.00741 0.00854 0.00412 -0.06409 0.00562 248 8PZ -0.00654 -0.00848 -0.00693 -0.02130 -0.01763 249 9PX -0.03434 -0.00894 0.01261 0.06749 0.04959 250 9PY -0.01840 -0.02025 -0.01352 0.17718 -0.01417 251 9PZ 0.02899 0.02962 0.02648 0.04243 0.05041 252 10PX -0.01140 -0.01829 -0.03097 -0.00113 -0.03766 253 10PY -0.00596 -0.01823 0.00270 -0.05832 0.01414 254 10PZ -0.05480 -0.03986 -0.04790 0.07110 0.02036 255 11XX 0.02643 -0.00507 0.01736 -0.09762 -0.00294 256 11YY 0.01178 -0.01013 0.03423 -0.08206 -0.03541 257 11ZZ -0.00085 -0.00151 -0.00299 -0.06113 -0.00735 258 11XY -0.00575 -0.00651 0.00049 0.02906 -0.00360 259 11XZ -0.01417 -0.01255 0.02011 0.01336 -0.00890 260 11YZ 0.00194 -0.00383 0.00309 0.01686 -0.00632 261 12XX 0.04178 -0.02170 0.10996 -0.53357 -0.16906 262 12YY 0.11366 0.00149 0.04917 -0.59461 -0.02968 263 12ZZ 0.16422 -0.03369 0.20908 -0.67823 -0.13999 264 12XY 0.02607 0.03246 0.00059 -0.12374 0.00892 265 12XZ 0.05878 0.05141 -0.09753 -0.05738 0.03914 266 12YZ -0.01359 0.01023 -0.01782 -0.07030 0.03692 267 29 C 1S -0.00279 0.03197 -0.01259 -0.00381 0.01336 268 2S -0.00719 -0.01326 0.02358 0.02192 -0.02404 269 2PX -0.00648 0.01092 -0.07452 0.00448 -0.03267 270 2PY -0.03250 -0.00322 0.00640 0.02160 -0.03724 271 2PZ -0.07343 -0.06625 -0.00236 -0.02115 0.03188 272 3S 0.12838 -0.79495 0.23876 -0.05621 -0.23370 273 3PX 0.08918 0.08338 -0.22538 0.20958 -0.11750 274 3PY -0.22667 0.38698 0.09827 0.25660 -0.21378 275 3PZ -0.36971 0.18386 -0.11280 -0.08269 0.35667 276 4XX 0.01072 -0.00925 0.00029 0.00657 0.00018 277 4YY -0.00007 0.00968 0.00768 0.00248 0.00328 278 4ZZ -0.00976 0.00567 -0.00805 -0.00880 -0.00103 279 4XY -0.00405 0.00143 -0.00050 0.00351 0.00810 280 4XZ -0.00184 0.00134 0.00237 0.01535 0.00114 281 4YZ -0.00234 0.01033 0.00162 0.00343 0.00532 282 30 H 1S 0.04883 -0.00982 -0.01779 -0.02189 -0.02714 283 2S 0.26253 0.20226 -0.39503 -0.01499 -0.04015 284 31 H 1S -0.01541 -0.01329 -0.00558 0.00916 -0.04339 285 2S 0.14079 0.32140 0.09912 0.13609 -0.32432 286 32 H 1S 0.01960 -0.02062 0.01759 -0.00181 0.03676 287 2S 0.03496 -0.00799 0.13796 -0.24861 0.50453 288 33 H 1S -0.00711 -0.01451 -0.02294 -0.01781 -0.03770 289 2S 0.11719 -0.46416 0.06589 -0.35167 -0.09258 290 34 H 1S -0.01808 0.01388 0.03505 0.01118 0.02781 291 2S -0.75054 0.45092 0.41367 -0.06942 0.05403 292 35 H 1S -0.03525 -0.03234 0.03043 0.01014 0.00016 293 2S -0.12630 -0.37408 0.14321 0.18216 0.21690 294 36 H 1S -0.00381 0.00006 -0.01439 0.05207 0.00927 295 2S 0.02593 0.13422 0.05372 -0.00897 -0.06704 296 37 H 1S 0.04292 0.02345 -0.01073 -0.05330 -0.01977 297 2S -0.04788 0.09919 0.03753 -0.18725 -0.03000 298 38 H 1S -0.05098 -0.00736 -0.02134 0.07323 0.03013 299 2S 0.22992 -0.11626 -0.04813 -0.10084 -0.11298 300 39 H 1S -0.06562 -0.02666 0.02631 0.04789 0.01511 301 2S -0.14391 0.10425 0.16083 -0.01803 -0.19136 302 40 H 1S -0.01279 0.00739 -0.04312 -0.01678 0.04009 303 2S -0.11275 -0.14161 0.10786 -0.25234 0.02466 116 117 118 119 120 V V V V V Eigenvalues -- 0.19563 0.21392 0.23240 0.25537 0.26075 1 1 C 1S -0.00842 -0.00366 0.01608 0.00970 0.00275 2 2S -0.01724 0.02144 0.07973 0.06018 0.00544 3 2PX -0.05165 -0.14193 0.09515 0.07315 0.02175 4 2PY 0.06297 0.01680 0.05829 -0.04269 0.00718 5 2PZ 0.04955 -0.02513 0.01448 -0.12173 0.06063 6 3S 0.43215 -0.07678 -1.08830 -0.37195 -0.15804 7 3PX 0.06794 -0.44981 -0.58156 -0.27617 -0.09052 8 3PY 0.17650 -0.52596 0.38066 0.14789 -0.27528 9 3PZ -0.11071 0.29552 0.21945 0.11969 0.12116 10 4XX 0.00090 0.01084 0.00454 0.01138 -0.00743 11 4YY -0.00262 -0.01116 -0.00882 0.00081 -0.00527 12 4ZZ 0.00039 0.00404 0.01239 0.00013 0.00849 13 4XY -0.00288 0.00736 -0.01095 0.00097 0.00594 14 4XZ 0.00484 -0.00805 -0.00602 -0.00756 -0.01808 15 4YZ 0.00988 -0.00156 0.01292 -0.00291 0.01172 16 2 C 1S -0.00256 0.00447 -0.01331 -0.00156 -0.00727 17 2S 0.01622 -0.03643 0.00327 0.00036 -0.05146 18 2PX 0.01202 -0.07636 -0.06110 -0.00653 -0.14095 19 2PY -0.00361 -0.00023 -0.01520 0.03729 0.01940 20 2PZ -0.08019 -0.02338 -0.07135 -0.04283 -0.00949 21 3S -0.07900 0.25513 0.22618 0.08351 0.38886 22 3PX -0.01200 0.04737 0.13613 -0.00236 0.14891 23 3PY -0.15293 0.03475 -0.33313 -0.00880 -0.11714 24 3PZ -0.30143 -0.02280 -0.14597 -0.04936 0.09304 25 4XX -0.00297 0.00741 -0.00412 0.00351 0.01317 26 4YY 0.00284 -0.00235 0.00606 -0.00189 -0.00695 27 4ZZ -0.00172 -0.00100 -0.00456 0.00183 -0.01707 28 4XY 0.00135 -0.00566 0.00013 -0.00123 -0.00064 29 4XZ 0.00022 -0.00290 -0.00076 0.00177 -0.00886 30 4YZ -0.00338 -0.01409 -0.00509 -0.00628 -0.00273 31 3 C 1S 0.00049 -0.00239 0.01655 -0.00522 -0.00298 32 2S 0.00440 0.03541 0.01950 -0.00392 0.03912 33 2PX -0.01706 0.04689 -0.01242 -0.00082 0.02430 34 2PY 0.00855 -0.01916 -0.05804 0.00508 -0.04460 35 2PZ 0.05304 0.07945 0.06249 -0.01222 0.03455 36 3S -0.01465 -0.30326 -0.41802 0.11980 -0.18490 37 3PX -0.07223 -0.02381 -0.38653 0.18280 0.00206 38 3PY 0.05842 -0.05835 -0.00319 -0.03497 0.00604 39 3PZ 0.25050 0.11868 0.15918 -0.06420 0.01127 40 4XX 0.00148 -0.00215 0.01683 -0.00279 -0.00712 41 4YY 0.00123 0.00065 -0.00253 0.00091 0.00054 42 4ZZ 0.00046 -0.00183 -0.00544 -0.00165 0.00560 43 4XY 0.00657 0.00050 0.00235 0.00750 -0.00214 44 4XZ -0.00425 -0.00003 -0.00636 0.00992 0.00026 45 4YZ 0.00305 0.01290 0.00651 -0.00053 0.00652 46 4 C 1S 0.01480 -0.00669 -0.01728 0.00251 -0.00757 47 2S -0.01511 -0.01050 -0.01198 0.00718 -0.05528 48 2PX -0.03614 0.05024 -0.09345 0.07674 0.07172 49 2PY 0.04465 0.06650 0.13747 -0.03422 0.09814 50 2PZ -0.03604 -0.04263 -0.00186 0.03557 -0.09917 51 3S -0.38595 0.35086 0.78706 -0.14917 0.39299 52 3PX -0.32945 -0.10111 -0.05661 0.16478 0.02527 53 3PY 0.16908 0.05814 0.30083 0.02768 -0.13643 54 3PZ -0.38569 0.17422 0.15147 0.13393 0.06604 55 4XX -0.00462 0.00992 0.00491 -0.00855 0.00457 56 4YY -0.00698 0.00183 0.00662 0.00533 -0.00427 57 4ZZ 0.00935 -0.01035 -0.01124 0.00081 -0.01281 58 4XY -0.00360 0.00570 -0.00835 0.00095 0.01089 59 4XZ 0.00636 0.00193 -0.00423 -0.00579 -0.00279 60 4YZ -0.00490 -0.00221 -0.01320 0.01100 -0.00608 61 5 C 1S -0.01634 0.00412 -0.06978 -0.00789 0.01412 62 2S -0.00030 0.02743 0.07008 0.00405 -0.01960 63 2PX -0.03851 0.16333 -0.02816 0.01719 0.01099 64 2PY 0.13553 -0.01044 -0.16381 -0.07047 0.02677 65 2PZ -0.06480 -0.07680 0.00712 0.09159 -0.00736 66 3S 0.42629 -0.40357 1.75713 0.15214 -0.40156 67 3PX -0.04868 1.27997 0.04492 -0.05980 0.40110 68 3PY 0.60489 0.02333 -1.08514 -0.23059 0.16636 69 3PZ -0.33600 -0.48328 0.46099 0.06110 -0.02790 70 4XX -0.00853 0.00654 -0.01671 -0.00653 0.00436 71 4YY 0.00807 -0.00129 -0.00682 -0.00377 0.00345 72 4ZZ -0.00334 -0.00134 0.02087 0.00436 -0.00923 73 4XY -0.00534 0.01147 -0.00095 -0.00489 0.01032 74 4XZ 0.00226 0.00261 0.00069 0.00782 0.00101 75 4YZ 0.00253 0.00069 0.01508 0.00006 0.02244 76 6 C 1S -0.02354 0.02234 0.03415 0.01236 0.00266 77 2S 0.01690 -0.08297 -0.08576 0.01368 0.12062 78 2PX 0.03689 -0.09678 -0.21505 -0.11198 0.04084 79 2PY -0.06155 0.33820 -0.09516 -0.05045 -0.03851 80 2PZ 0.07735 -0.09175 0.04803 0.01115 -0.14692 81 3S 0.63789 -0.49222 -0.34473 -0.06720 -0.02361 82 3PX 0.52110 -0.39684 -1.40885 -0.26528 0.05176 83 3PY -0.24420 1.85289 -0.50192 -0.00265 0.77264 84 3PZ 0.12313 -0.44268 0.29973 0.00750 -0.04913 85 4XX -0.00364 -0.01503 0.01655 0.02170 0.01779 86 4YY -0.01118 0.00082 -0.00958 0.00264 0.00748 87 4ZZ 0.00913 0.00816 -0.00702 -0.00598 -0.00649 88 4XY 0.00394 -0.00126 -0.00264 -0.01306 -0.02233 89 4XZ -0.00218 0.00688 0.00339 -0.02060 0.01668 90 4YZ -0.00037 -0.00353 -0.02145 -0.01515 -0.06392 91 7 C 1S 0.02840 -0.02627 -0.04354 0.01714 -0.00587 92 2S -0.02867 -0.05481 0.05827 -0.01919 0.10975 93 2PX -0.02761 -0.09517 0.10808 -0.31657 -0.08999 94 2PY -0.09953 0.18051 0.09521 0.01373 0.29178 95 2PZ 0.07577 -0.11126 0.01096 -0.01721 -0.08065 96 3S -0.57585 0.95168 0.86591 -0.54733 -0.06351 97 3PX -0.16510 -0.87194 1.28420 -0.11984 -0.34489 98 3PY -0.49886 1.47807 0.15611 0.20327 -0.01861 99 3PZ 0.35664 -0.49935 0.05111 0.09671 -0.01996 100 4XX 0.01204 0.00289 -0.01941 -0.01826 0.00902 101 4YY 0.01171 -0.03161 0.00418 -0.01028 0.03585 102 4ZZ -0.01622 0.01883 0.01180 0.02179 -0.04401 103 4XY 0.00043 0.00048 -0.00490 -0.01354 0.00055 104 4XZ -0.01528 0.01191 -0.00286 -0.04569 -0.01273 105 4YZ -0.00151 0.01828 0.02021 -0.01291 0.01824 106 8 C 1S -0.03655 0.01472 0.02943 -0.02497 -0.00767 107 2S -0.01259 -0.04181 -0.00998 -0.06539 -0.02102 108 2PX -0.01845 -0.17990 0.22751 -0.00066 -0.02680 109 2PY -0.03154 -0.19684 -0.08478 0.00149 -0.04466 110 2PZ -0.05187 0.05075 0.04118 0.23303 0.04280 111 3S 1.02974 -0.00500 -0.98316 0.47104 0.28943 112 3PX 0.42578 -0.94012 0.91799 -0.63809 -0.31271 113 3PY 0.26740 -0.83940 -0.53040 -0.05794 -0.03579 114 3PZ -0.69012 0.21433 0.31618 -0.32830 -0.10436 115 4XX -0.00529 -0.00718 -0.00261 -0.04381 -0.01104 116 4YY -0.00498 0.01197 0.00516 -0.00862 -0.00136 117 4ZZ 0.00368 -0.00517 -0.00275 0.02221 0.00668 118 4XY -0.00494 -0.00210 -0.00691 0.01828 0.00068 119 4XZ 0.01160 -0.00623 0.00045 -0.00096 0.00870 120 4YZ 0.01023 -0.00640 -0.00886 0.00529 -0.00196 121 9 C 1S 0.05773 -0.03057 -0.02535 -0.00165 -0.00053 122 2S -0.04093 0.02580 0.02353 0.00042 0.00509 123 2PX -0.04769 -0.08159 -0.18261 0.01992 -0.00588 124 2PY 0.26237 -0.11716 0.10951 -0.02481 -0.01999 125 2PZ 0.13155 0.13556 -0.13087 0.07176 0.05673 126 3S -1.54156 0.68021 0.57334 -0.04744 -0.03694 127 3PX -0.12092 -0.40327 -1.01701 0.13336 0.03426 128 3PY 1.10297 -0.66541 0.52920 -0.25502 -0.12631 129 3PZ 0.58922 0.66455 -0.48441 0.24738 0.21208 130 4XX -0.00334 -0.00205 -0.00162 -0.00588 -0.00261 131 4YY 0.00101 -0.01528 0.00255 -0.00689 -0.00155 132 4ZZ -0.00058 0.01261 0.00068 0.00394 0.00159 133 4XY -0.01143 -0.00741 0.00561 0.00058 -0.00462 134 4XZ 0.00143 0.00751 -0.00785 -0.01419 0.00668 135 4YZ 0.00917 0.01285 0.00008 0.01536 0.00347 136 10 C 1S -0.00919 0.01120 0.05744 -0.02588 0.00029 137 2S -0.00364 0.00676 -0.06258 -0.04292 0.01482 138 2PX -0.01326 0.09034 0.01506 0.15383 -0.05624 139 2PY -0.10529 -0.08851 0.00335 0.22274 -0.06222 140 2PZ -0.06952 -0.05593 -0.20160 -0.05612 0.04213 141 3S 0.28191 -0.35017 -1.22629 0.84191 -0.09586 142 3PX -0.12015 0.67706 0.30385 0.28902 0.06362 143 3PY -0.69791 -0.58450 0.41468 -0.05602 -0.17972 144 3PZ -0.15309 -0.09736 -1.09968 0.00739 0.14226 145 4XX 0.00058 0.00142 0.00852 -0.00183 -0.00382 146 4YY -0.00449 0.01159 -0.00289 -0.00547 0.00649 147 4ZZ 0.00449 -0.00736 0.00117 -0.00993 -0.00049 148 4XY 0.00824 0.00036 -0.00640 0.00532 0.00407 149 4XZ -0.00046 -0.01484 0.00603 -0.01106 0.00428 150 4YZ -0.00600 -0.00582 -0.01304 -0.00413 0.00314 151 11 C 1S 0.00655 -0.00607 0.01752 0.02255 -0.01011 152 2S -0.00925 0.02151 0.00530 -0.01479 0.01471 153 2PX -0.07768 0.03752 -0.10146 -0.00247 0.03465 154 2PY -0.05907 -0.13444 0.08831 0.00014 -0.05568 155 2PZ -0.04791 0.02098 0.19117 -0.01145 -0.00331 156 3S 0.00922 0.06427 -0.74069 -0.37723 0.20104 157 3PX -0.36503 0.11509 -0.18918 0.29168 0.00680 158 3PY -0.13638 -0.20286 0.34146 0.40477 -0.20662 159 3PZ -0.11770 0.06255 0.67785 -0.15567 -0.00197 160 4XX 0.00794 -0.00233 -0.00030 0.00374 -0.00013 161 4YY 0.00631 0.00624 0.00183 0.01469 -0.00504 162 4ZZ -0.00998 0.00010 -0.00281 -0.00997 0.00533 163 4XY -0.00492 0.00496 -0.00302 0.02397 -0.00709 164 4XZ 0.01198 0.00199 0.00386 -0.00658 0.00038 165 4YZ -0.00337 0.00456 0.01163 -0.00839 -0.00101 166 12 H 1S 0.04160 -0.00244 -0.01835 -0.02749 0.01768 167 2S -0.05269 0.32209 0.37394 -0.02701 0.11472 168 13 H 1S -0.00413 0.03076 0.01258 -0.02115 -0.00015 169 2S 0.34319 0.10121 -0.58152 0.01444 0.04889 170 14 C 1S -0.02169 0.02334 -0.02070 -0.00036 0.00971 171 2S 0.00192 -0.03268 0.01597 -0.02419 -0.00366 172 2PX 0.08312 0.07454 -0.07956 0.05183 0.01623 173 2PY 0.03460 0.03662 0.08329 -0.01294 -0.00293 174 2PZ 0.12971 -0.03518 -0.02225 -0.00795 0.01724 175 3S 0.63272 -0.30326 0.40605 0.14120 -0.14736 176 3PX 0.41491 0.28177 -0.68433 0.00603 0.19337 177 3PY 0.07161 0.24087 0.37505 -0.05998 0.01919 178 3PZ 0.71850 -0.34159 -0.04896 0.04505 -0.10039 179 4XX -0.00502 0.00333 -0.00829 -0.01187 0.00457 180 4YY 0.00662 -0.00093 0.00328 0.01115 -0.00115 181 4ZZ -0.00414 0.00197 0.00154 -0.00087 0.00129 182 4XY 0.01482 -0.00154 0.01072 -0.00183 -0.00220 183 4XZ -0.01196 -0.00901 0.00485 0.00341 -0.00682 184 4YZ 0.00261 -0.00837 -0.00554 -0.00375 -0.00289 185 15 H 1S 0.05403 0.00110 0.02371 -0.01418 0.00531 186 2S -0.27194 -0.31275 -0.06122 -0.05470 -0.06192 187 16 H 1S 0.03439 -0.04149 -0.00164 0.00974 -0.02203 188 2S 0.59503 0.02820 -0.11487 -0.00140 0.03947 189 17 C 1S 0.00181 -0.02584 0.00848 -0.00948 -0.00652 190 2S -0.00278 0.03000 -0.01561 0.02922 0.00903 191 2PX -0.00940 -0.08865 0.00785 -0.03951 -0.01530 192 2PY -0.21697 0.00471 0.02985 0.02356 -0.01894 193 2PZ 0.07872 0.02234 -0.09345 0.00189 0.00970 194 3S 0.05206 0.40448 -0.06778 0.03359 0.10626 195 3PX 0.01803 -0.45069 0.12662 -0.09605 -0.08600 196 3PY -1.07250 -0.04168 0.15946 -0.13611 -0.07028 197 3PZ 0.35453 -0.00161 -0.54399 0.20292 0.05165 198 4XX 0.00901 -0.00940 0.00934 -0.00406 -0.00159 199 4YY -0.01046 -0.00089 -0.00297 -0.00241 -0.00276 200 4ZZ 0.00147 0.00576 -0.00615 0.00507 0.00372 201 4XY -0.01351 -0.00071 -0.00295 -0.00456 -0.00288 202 4XZ 0.00052 0.00388 -0.00358 0.00676 0.00183 203 4YZ 0.00059 0.00710 0.00137 0.00436 0.00183 204 18 C 1S -0.01398 0.01726 -0.01837 0.01016 0.00552 205 2S 0.00014 -0.01807 -0.01199 0.00698 -0.00465 206 2PX -0.23976 -0.05811 0.06313 -0.08285 -0.05088 207 2PY -0.04511 -0.05950 0.04131 -0.05525 -0.02088 208 2PZ 0.05632 0.00765 0.11509 0.02469 -0.00205 209 3S 0.30960 -0.36521 0.70709 -0.28936 -0.15781 210 3PX -1.36356 -0.16966 0.04432 -0.06653 -0.10254 211 3PY -0.06180 -0.02795 0.36168 -0.06911 0.02315 212 3PZ 0.32392 -0.00788 0.56119 -0.18926 -0.05980 213 4XX -0.00603 0.00128 -0.00494 0.00636 0.00022 214 4YY 0.00395 -0.00712 0.00158 0.00068 -0.00232 215 4ZZ 0.00246 0.00521 0.00037 0.00006 0.00270 216 4XY 0.01893 0.00341 -0.00708 -0.00219 0.00423 217 4XZ 0.00439 -0.00170 0.01051 0.00736 -0.00071 218 4YZ -0.00342 -0.00404 -0.01377 -0.00555 0.00162 219 19 H 1S 0.02241 -0.00903 0.00111 -0.03304 0.01348 220 2S -0.16525 0.02522 0.49498 -0.12388 -0.02651 221 20 H 1S -0.00123 0.01710 0.05647 0.04747 0.00665 222 2S 0.13446 0.15445 -0.39697 0.14314 0.14032 223 21 H 1S -0.01202 0.04486 0.00132 0.01780 0.00946 224 2S 0.26198 0.01891 0.33069 -0.07590 -0.00508 225 22 H 1S 0.05078 -0.00699 0.04530 0.00083 -0.00480 226 2S -0.25102 0.21517 -0.10569 0.09408 0.00004 227 23 H 1S -0.04023 -0.04689 -0.04001 -0.06112 0.03329 228 2S -0.66877 -0.27776 -0.26940 -0.09803 -0.01133 229 24 H 1S -0.01206 0.04215 0.00901 0.03936 0.00384 230 2S -0.65477 -0.20593 0.18389 -0.01539 -0.11075 231 25 H 1S -0.02935 0.03054 -0.03445 -0.02869 -0.03023 232 2S -0.54502 -0.31893 -0.36717 -0.03556 -0.08827 233 26 H 1S 0.05059 -0.03343 -0.01413 0.10105 0.04822 234 2S 0.29995 -0.11388 -0.16401 -0.15390 -0.03816 235 27 H 1S 0.04623 -0.05625 -0.05445 0.10263 -0.05191 236 2S -0.37621 0.32065 0.40251 -0.08790 -0.02308 237 28 Br 1S 0.00719 0.00914 0.00428 -0.00050 -0.00422 238 2S -0.05899 -0.07509 -0.03813 0.00572 0.03491 239 3S 0.09357 0.11873 0.06527 -0.01126 -0.05429 240 4S 0.09250 0.11998 0.05233 -0.00634 -0.06074 241 5S -0.89321 -0.99886 -0.60966 -0.03056 0.18730 242 6S 1.75567 1.86983 1.24798 0.12335 -0.22283 243 7PX 0.00612 0.00966 0.01015 -0.00124 -0.00622 244 7PY 0.01234 0.00773 0.00821 -0.00219 -0.04359 245 7PZ -0.00590 0.02904 0.01133 -0.01466 -0.03912 246 8PX -0.01947 -0.03080 -0.03251 0.00342 0.02007 247 8PY -0.03927 -0.02473 -0.02600 0.00708 0.14052 248 8PZ 0.01927 -0.09295 -0.03621 0.04723 0.12594 249 9PX 0.05329 0.08890 0.10189 0.01156 -0.06994 250 9PY 0.11015 0.07477 0.06738 -0.02612 -0.48489 251 9PZ -0.07996 0.28758 0.10785 -0.16461 -0.42868 252 10PX 0.01627 -0.04810 -0.09208 -0.03706 0.08509 253 10PY -0.01546 -0.02981 -0.00053 0.05137 0.60909 254 10PZ 0.19438 -0.23485 -0.00784 0.27926 0.50679 255 11XX -0.05688 -0.04771 -0.03252 -0.08714 0.01266 256 11YY -0.06541 -0.03759 -0.03037 0.02087 0.05383 257 11ZZ -0.01233 -0.08644 -0.03291 0.08411 0.01439 258 11XY 0.00714 -0.01534 0.02537 -0.05227 0.05551 259 11XZ 0.00615 0.00814 -0.03276 -0.11385 -0.00202 260 11YZ 0.01251 -0.01173 0.02722 -0.00802 0.13001 261 12XX -0.31400 -0.45041 -0.27842 0.42152 0.13041 262 12YY -0.28212 -0.47969 -0.27338 -0.07362 -0.02997 263 12ZZ -0.49518 -0.29277 -0.24483 -0.33113 0.14154 264 12XY -0.02650 0.05975 -0.10620 0.24501 -0.25401 265 12XZ -0.01567 -0.03570 0.13733 0.53584 0.01445 266 12YZ -0.04324 0.05096 -0.12405 0.04429 -0.56116 267 29 C 1S 0.00952 0.00005 0.01050 0.00101 0.00715 268 2S -0.01627 0.00255 0.03461 0.00510 0.05251 269 2PX 0.06165 0.03788 -0.08326 -0.01566 -0.06853 270 2PY 0.00670 0.01250 -0.08080 -0.02343 -0.08303 271 2PZ -0.01194 -0.02090 -0.05815 0.00084 -0.04049 272 3S -0.18112 0.09087 -0.38383 0.01023 -0.24093 273 3PX 0.18594 -0.22716 0.01052 -0.03682 -0.00630 274 3PY -0.06929 -0.14481 0.22360 0.11493 0.11356 275 3PZ 0.14459 -0.08883 0.06811 -0.02474 0.03231 276 4XX -0.00270 -0.00109 -0.00097 -0.00554 0.00634 277 4YY -0.00534 0.00312 0.01675 0.00827 -0.00155 278 4ZZ 0.00677 0.00252 -0.00604 0.00057 0.01243 279 4XY -0.00062 -0.00087 -0.00404 -0.00041 -0.00307 280 4XZ 0.00134 -0.01480 0.00459 0.00569 -0.00172 281 4YZ 0.00062 -0.00246 0.01069 0.00422 -0.00412 282 30 H 1S 0.00689 0.02684 0.01793 -0.02450 0.00239 283 2S 0.30124 0.00191 0.02522 -0.08965 0.00509 284 31 H 1S 0.00651 -0.01580 -0.02840 0.00963 0.03063 285 2S -0.08716 0.05354 0.10998 0.07193 0.08256 286 32 H 1S -0.00926 0.02072 -0.00244 -0.00349 -0.01903 287 2S -0.10586 0.06574 0.21212 0.01403 0.07807 288 33 H 1S -0.00541 -0.02866 -0.06028 0.05666 -0.05069 289 2S -0.01557 0.06374 0.12367 0.11605 -0.10935 290 34 H 1S -0.03205 0.01270 -0.00250 0.00315 0.03587 291 2S 0.03720 -0.26594 -0.41931 -0.02617 -0.20804 292 35 H 1S 0.00895 0.04387 0.00421 -0.00353 0.03602 293 2S -0.22337 -0.05027 0.02035 0.03166 0.02755 294 36 H 1S -0.02908 -0.01982 -0.02566 0.01677 0.01592 295 2S 0.10475 0.27456 0.22893 -0.01488 0.14211 296 37 H 1S -0.03913 -0.04672 -0.04179 -0.02122 -0.05717 297 2S -0.35993 -0.07824 -0.39954 -0.03740 -0.08677 298 38 H 1S -0.00073 0.02218 -0.02855 -0.00317 0.06580 299 2S 0.15669 -0.10890 -0.01363 -0.04301 -0.13545 300 39 H 1S 0.02145 -0.02731 0.02868 -0.02323 0.06062 301 2S -0.19638 -0.02699 -0.15130 0.08362 -0.04651 302 40 H 1S -0.01922 -0.03024 -0.06335 0.00895 -0.00415 303 2S 0.09122 -0.63704 0.29278 0.06571 -0.16994 121 122 123 124 125 V V V V V Eigenvalues -- 0.27287 0.29789 0.32550 0.33478 0.34608 1 1 C 1S 0.00661 0.01405 0.00684 -0.01130 0.00089 2 2S 0.08444 -0.00722 0.05447 -0.00400 0.02210 3 2PX 0.10643 0.03012 0.21454 -0.17765 -0.07144 4 2PY -0.13447 -0.02797 -0.14428 0.18794 0.04352 5 2PZ -0.18564 0.11074 0.00098 0.00072 -0.21625 6 3S -0.03100 -0.15566 -0.15630 0.40155 0.26309 7 3PX 0.01106 -0.35172 -0.08013 0.28921 0.14126 8 3PY 0.14933 -0.19835 0.33935 -0.01563 0.14669 9 3PZ 0.09274 -0.01438 -0.08031 -0.09440 0.26853 10 4XX 0.02087 0.01784 0.00418 -0.00379 0.00342 11 4YY 0.01450 -0.00922 0.00310 -0.00390 0.01554 12 4ZZ -0.00310 0.00364 0.00459 0.01414 -0.00459 13 4XY -0.00084 -0.03080 0.00310 -0.01553 -0.01242 14 4XZ -0.00285 -0.00874 -0.00884 0.00235 0.00277 15 4YZ -0.01390 0.00727 -0.00774 0.02393 -0.04463 16 2 C 1S 0.00860 -0.01123 -0.01258 0.00578 0.01266 17 2S -0.03637 0.05294 0.09162 -0.04536 -0.02442 18 2PX -0.00959 0.11258 0.05705 -0.04121 0.03251 19 2PY -0.02408 -0.01461 -0.03681 0.04707 -0.16799 20 2PZ 0.04282 -0.02715 -0.07067 -0.00644 0.12786 21 3S -0.02196 0.06748 -0.13958 0.13862 -0.21371 22 3PX -0.07608 0.16761 -0.02114 -0.01604 -0.12709 23 3PY 0.13878 0.14262 -0.05245 -0.08369 0.29701 24 3PZ 0.02112 0.14999 0.05984 -0.23465 -0.16057 25 4XX -0.00006 -0.01592 0.00034 0.00622 -0.01538 26 4YY -0.00345 0.01303 0.01021 -0.00570 -0.01769 27 4ZZ 0.00317 0.00698 -0.00215 -0.00110 0.03336 28 4XY -0.00166 0.00847 0.00677 -0.00230 -0.01027 29 4XZ 0.00657 -0.01099 -0.00232 -0.00243 0.02700 30 4YZ 0.00450 0.01282 0.01572 -0.02760 -0.00178 31 3 C 1S -0.00518 0.01155 0.00106 -0.00381 -0.01082 32 2S 0.01113 0.01767 -0.02710 0.04913 -0.01170 33 2PX 0.05218 -0.00315 -0.06937 0.04878 0.08598 34 2PY 0.00826 -0.00019 0.02794 -0.06653 0.12095 35 2PZ -0.02033 0.05146 -0.01277 0.06400 -0.05297 36 3S 0.07247 -0.27198 0.12632 -0.13761 0.17273 37 3PX 0.10073 -0.08909 0.07594 0.03279 0.01858 38 3PY -0.04757 0.20392 -0.03508 0.05257 -0.25896 39 3PZ -0.03156 -0.08302 0.02313 -0.02966 0.02693 40 4XX -0.00361 0.01609 -0.00257 -0.00905 0.00161 41 4YY -0.00509 0.00320 -0.00147 0.01289 -0.02131 42 4ZZ 0.00780 -0.01007 0.00072 -0.00055 0.00953 43 4XY -0.00644 0.00309 0.00516 0.00656 -0.01672 44 4XZ -0.00246 -0.00596 -0.00056 -0.00185 0.00894 45 4YZ -0.00004 -0.00546 -0.01067 0.02034 0.00906 46 4 C 1S -0.00680 -0.01229 -0.00641 0.01011 0.00046 47 2S 0.03969 0.01058 0.04362 0.01797 0.03670 48 2PX 0.04068 -0.10136 -0.01927 0.12302 -0.03216 49 2PY 0.01149 -0.02295 -0.12114 0.01174 -0.01747 50 2PZ -0.05881 0.01356 -0.04831 0.10323 0.01965 51 3S -0.02647 0.30708 -0.12824 -0.37027 -0.25947 52 3PX 0.11138 0.00768 -0.00226 -0.25830 0.13731 53 3PY -0.20848 0.00480 0.04557 -0.01596 -0.11374 54 3PZ -0.05362 0.25724 -0.01850 -0.31811 -0.00890 55 4XX 0.00917 -0.00100 -0.01255 0.01154 0.00764 56 4YY 0.00262 -0.00388 -0.00573 0.00339 -0.00208 57 4ZZ -0.00817 0.00301 0.01938 -0.01122 -0.00549 58 4XY 0.00234 -0.01083 -0.00353 0.00376 0.00304 59 4XZ -0.00532 0.00320 0.00962 -0.00191 -0.00822 60 4YZ -0.00455 0.01824 0.01487 -0.02181 0.00976 61 5 C 1S -0.01171 0.01916 0.02168 -0.00686 0.00421 62 2S 0.02352 -0.04856 -0.02079 -0.01535 -0.03438 63 2PX 0.00887 -0.01066 -0.02300 -0.08350 -0.00340 64 2PY 0.06055 0.00177 -0.03601 0.15723 -0.03431 65 2PZ 0.16625 0.00014 -0.06967 0.06011 0.10364 66 3S -0.17557 -0.25148 -0.19069 0.22932 0.10474 67 3PX -0.15112 0.17501 -0.29201 -0.24033 -0.09246 68 3PY 0.09987 -0.05053 0.29679 0.22258 0.32926 69 3PZ 0.08690 0.12745 0.12729 -0.25717 0.10634 70 4XX -0.01810 -0.01329 0.00787 -0.01223 -0.01021 71 4YY -0.01312 0.01172 0.02358 -0.00505 0.00705 72 4ZZ 0.00917 0.00039 -0.01726 0.01799 0.00551 73 4XY -0.00777 0.02289 0.00391 -0.00886 0.00325 74 4XZ 0.00551 -0.00646 -0.00024 0.02544 0.00088 75 4YZ 0.01317 0.00362 -0.00953 -0.00466 0.01873 76 6 C 1S 0.00681 -0.02874 -0.03677 -0.00883 -0.00958 77 2S -0.06172 0.27019 0.13647 -0.01435 -0.01985 78 2PX -0.12576 -0.07632 0.09387 -0.06164 -0.03360 79 2PY -0.07579 0.06736 -0.00963 -0.22697 -0.08576 80 2PZ 0.07989 -0.06483 -0.10196 -0.21951 -0.19417 81 3S 0.19513 -0.23973 0.92820 0.04357 0.39704 82 3PX 0.42194 -0.10815 0.31323 0.42651 0.25031 83 3PY -0.04908 0.29938 -0.86555 -0.09706 -0.37378 84 3PZ -0.14698 0.07998 0.06426 0.47691 0.02764 85 4XX 0.01066 0.03465 0.03810 -0.02322 0.00441 86 4YY -0.00705 -0.01726 0.00206 -0.01160 -0.00775 87 4ZZ -0.00799 -0.00388 -0.02095 0.02595 0.00132 88 4XY -0.01200 0.01072 -0.01642 0.02386 -0.00068 89 4XZ -0.01094 -0.01275 -0.00581 0.01263 -0.01083 90 4YZ -0.01275 -0.01427 -0.02161 0.02463 0.00077 91 7 C 1S 0.00197 -0.02070 0.03609 0.03270 0.01225 92 2S -0.02026 0.04965 -0.21099 -0.17876 -0.01948 93 2PX -0.05520 0.18617 -0.08895 0.00253 0.18509 94 2PY 0.09387 -0.08163 0.16446 -0.25624 -0.09492 95 2PZ 0.08064 0.17359 0.27570 -0.12378 -0.08659 96 3S -0.06248 0.54986 -0.64248 -0.42149 -0.67700 97 3PX -0.31817 -0.07637 0.14365 0.17532 -0.24914 98 3PY -0.32772 0.20876 -0.82174 -0.15306 -0.23006 99 3PZ -0.08679 -0.45239 -0.01155 0.58155 0.80765 100 4XX 0.00584 0.02069 -0.04802 -0.02972 -0.03822 101 4YY 0.00299 0.01113 -0.00641 -0.01187 -0.00288 102 4ZZ -0.01299 -0.02521 0.02671 0.02239 0.02148 103 4XY 0.01023 0.01009 0.01479 -0.01463 -0.01169 104 4XZ 0.00730 -0.00163 0.02044 0.01969 -0.00122 105 4YZ 0.00644 -0.02057 0.02151 0.01486 0.01685 106 8 C 1S -0.00409 0.03087 -0.02579 -0.00812 -0.00146 107 2S 0.05278 -0.07583 0.04840 -0.02849 -0.15477 108 2PX -0.07996 -0.08404 0.12319 0.11438 0.16095 109 2PY 0.00739 -0.00335 0.07829 -0.02697 -0.12136 110 2PZ -0.15619 0.01664 -0.08664 -0.03743 0.21910 111 3S 0.08569 -0.19963 0.22744 0.09538 0.68155 112 3PX -0.12611 0.32370 -0.21463 -0.05199 0.01600 113 3PY 0.21201 -0.09090 0.25353 0.25582 0.30312 114 3PZ 0.09827 0.24229 -0.15433 -0.08164 -0.55812 115 4XX -0.00017 0.01912 -0.01371 -0.00707 0.00811 116 4YY 0.02054 -0.00177 0.00976 0.01264 -0.03251 117 4ZZ -0.00480 -0.01355 -0.00377 -0.01997 0.01382 118 4XY -0.00839 -0.00866 0.00077 0.00531 0.00540 119 4XZ -0.00746 0.00980 -0.02890 -0.01867 0.00335 120 4YZ 0.00013 -0.01457 0.00768 0.02040 0.00560 121 9 C 1S 0.00838 -0.01485 0.01853 0.01077 0.00535 122 2S -0.00531 0.06300 -0.05279 -0.03554 0.03493 123 2PX -0.01316 -0.08369 0.02485 0.06363 -0.09507 124 2PY -0.00716 0.04955 0.01219 -0.07941 0.13456 125 2PZ -0.01321 -0.04696 0.07083 -0.03147 0.03888 126 3S -0.11357 0.05261 -0.16313 -0.03684 -0.74052 127 3PX 0.12809 -0.19647 0.26275 0.23734 0.23206 128 3PY -0.04503 0.06414 0.13804 0.09702 0.10689 129 3PZ -0.00271 -0.12721 -0.08958 -0.04124 0.03718 130 4XX 0.01052 -0.00105 0.00888 0.01482 -0.02913 131 4YY -0.00401 -0.00908 0.01069 0.00127 -0.00264 132 4ZZ 0.00021 0.00831 -0.01446 -0.00918 0.01363 133 4XY 0.00211 -0.00488 0.01549 -0.00841 0.00048 134 4XZ 0.00067 0.00455 -0.00780 -0.01203 0.01048 135 4YZ -0.00512 0.00354 -0.00633 -0.01231 0.01979 136 10 C 1S -0.01878 -0.01272 -0.01075 -0.01364 -0.01385 137 2S 0.01858 0.03789 0.03746 0.01874 -0.00427 138 2PX 0.11363 0.08092 -0.07858 0.02121 0.01375 139 2PY 0.01745 0.09166 -0.03413 -0.05974 0.10863 140 2PZ -0.01554 -0.14441 -0.00279 -0.00200 -0.08081 141 3S 0.47273 0.11110 0.16076 0.19773 0.68334 142 3PX -0.14431 -0.19840 -0.21325 -0.18909 -0.08753 143 3PY 0.05506 -0.04329 0.02220 0.05189 -0.19701 144 3PZ 0.01511 -0.27573 0.19682 0.13242 -0.00241 145 4XX 0.00490 -0.00411 0.00201 -0.01263 0.00644 146 4YY -0.00369 0.00724 -0.00372 -0.00113 0.01523 147 4ZZ -0.00297 -0.00470 0.00621 0.00736 -0.01281 148 4XY 0.00392 -0.00611 0.00365 0.01687 0.01130 149 4XZ -0.00375 0.00864 -0.00095 0.00500 -0.00001 150 4YZ -0.00701 -0.02030 0.01719 0.00730 -0.02941 151 11 C 1S 0.01555 0.01204 -0.00554 0.00363 0.00932 152 2S -0.01200 -0.03336 -0.02751 0.01134 0.03803 153 2PX -0.06819 0.05865 0.04417 -0.10468 -0.04913 154 2PY 0.02026 -0.04896 0.00356 0.07076 -0.09628 155 2PZ 0.01307 0.00900 -0.07024 -0.00417 -0.01427 156 3S -0.25392 -0.00987 0.29715 -0.07243 -0.17759 157 3PX 0.07398 0.12124 -0.00282 0.02134 0.09151 158 3PY 0.15948 0.14613 -0.07306 -0.09182 0.24090 159 3PZ -0.05146 0.10678 0.00283 -0.03610 -0.10963 160 4XX 0.00301 0.01739 -0.00203 0.00263 0.02047 161 4YY 0.00976 0.00567 -0.00376 -0.00141 0.00835 162 4ZZ -0.00653 -0.01664 0.00094 0.00496 -0.01395 163 4XY 0.00933 0.01483 -0.01094 -0.00281 0.01366 164 4XZ -0.00101 -0.00588 -0.00186 0.00063 -0.00047 165 4YZ -0.00394 0.00140 -0.01011 -0.00905 0.00054 166 12 H 1S -0.00730 -0.04008 0.03587 0.03555 -0.04133 167 2S -0.03414 0.14119 -0.09051 -0.05226 -0.04058 168 13 H 1S -0.00437 -0.02277 -0.04871 -0.02138 -0.01811 169 2S 0.04050 -0.10980 -0.00893 0.07703 0.10651 170 14 C 1S -0.00953 -0.00112 0.00501 -0.00733 -0.00044 171 2S 0.00890 0.00849 -0.00319 0.03884 -0.02478 172 2PX -0.00609 -0.04086 0.00383 -0.04135 -0.03800 173 2PY -0.00153 -0.01720 0.00163 -0.04511 0.01418 174 2PZ 0.00327 0.00432 0.03096 0.02714 -0.04011 175 3S 0.11428 -0.05226 -0.08748 -0.06314 0.12195 176 3PX -0.13407 -0.00855 0.13771 -0.06235 0.05878 177 3PY -0.00808 -0.05806 -0.07542 0.06197 -0.06476 178 3PZ 0.12429 0.01903 -0.04102 0.07591 0.19967 179 4XX -0.01014 -0.00333 0.00133 -0.00862 -0.00505 180 4YY 0.00411 -0.00102 -0.00061 0.00008 -0.00077 181 4ZZ 0.00114 0.00274 0.00017 0.00785 0.00375 182 4XY 0.00271 -0.00768 -0.00353 0.00258 -0.00149 183 4XZ 0.00753 0.00131 -0.00718 0.01162 0.00254 184 4YZ 0.00090 0.01247 0.00052 0.00497 0.00878 185 15 H 1S -0.00291 -0.05688 0.01014 -0.01443 -0.04872 186 2S 0.04629 0.07508 0.02988 0.09108 -0.00654 187 16 H 1S 0.02852 0.04291 -0.00721 0.05313 0.06813 188 2S 0.01262 -0.01753 0.03947 0.03007 0.07331 189 17 C 1S -0.00200 0.00837 -0.00471 0.00271 0.00517 190 2S 0.00719 -0.00524 -0.02431 -0.03164 0.01973 191 2PX 0.01948 0.00237 0.05161 0.06531 -0.04365 192 2PY 0.01688 0.00099 -0.02269 0.01931 -0.03432 193 2PZ -0.00167 0.02792 -0.01782 -0.03318 0.01442 194 3S -0.00828 -0.15331 0.20107 0.10899 -0.14525 195 3PX 0.01833 0.08791 -0.10790 0.00305 0.18229 196 3PY -0.07131 0.09305 -0.13898 -0.02708 0.00334 197 3PZ 0.01606 -0.11371 0.12114 0.03637 0.04643 198 4XX -0.00036 -0.00206 0.00379 0.00377 0.00891 199 4YY -0.00112 0.00417 -0.00907 0.00242 0.00282 200 4ZZ 0.00041 0.00019 0.00063 -0.00670 -0.00616 201 4XY -0.00489 0.00901 -0.00802 -0.00741 0.01365 202 4XZ -0.00032 -0.00304 -0.00456 -0.00287 -0.00789 203 4YZ 0.00011 -0.00540 0.00221 -0.00541 -0.00152 204 18 C 1S 0.00123 -0.00965 0.00107 0.00400 -0.01114 205 2S -0.01107 0.02269 0.01101 0.00647 0.02687 206 2PX -0.03476 0.05858 -0.07788 -0.04166 0.08495 207 2PY 0.00745 0.05770 -0.02338 0.08283 0.01771 208 2PZ 0.02768 -0.01702 -0.01436 -0.00104 -0.07132 209 3S -0.08867 0.22231 -0.25059 -0.19403 0.17544 210 3PX 0.02015 0.04328 -0.11124 0.13854 -0.30519 211 3PY 0.01720 0.09923 -0.11005 -0.13357 0.08587 212 3PZ 0.03524 0.16018 -0.00910 -0.05690 -0.00020 213 4XX -0.00822 0.00464 -0.01297 -0.00266 0.00341 214 4YY -0.00247 -0.00068 0.00406 -0.00086 0.00358 215 4ZZ 0.00259 0.00028 0.00229 -0.00122 -0.00184 216 4XY 0.00009 0.00610 -0.00157 -0.00776 0.01438 217 4XZ 0.00223 -0.00157 0.00675 -0.00400 0.01082 218 4YZ 0.00655 0.00199 0.00773 0.01617 -0.01453 219 19 H 1S 0.04534 0.01420 0.03728 0.04108 -0.04312 220 2S 0.06923 0.11372 -0.08097 0.01496 -0.07678 221 20 H 1S -0.01511 -0.03729 0.01799 -0.04314 0.05021 222 2S -0.00424 -0.10614 0.09156 0.06181 0.06905 223 21 H 1S -0.01045 -0.00428 -0.01268 -0.04127 -0.03252 224 2S -0.01744 0.02195 -0.01532 -0.02029 -0.02932 225 22 H 1S 0.01828 -0.01814 0.02708 0.01652 0.01022 226 2S -0.03409 0.01854 -0.08366 -0.09795 -0.00119 227 23 H 1S -0.04687 -0.09701 0.06713 0.05493 -0.09704 228 2S -0.08705 -0.29579 0.06902 -0.10074 -0.34290 229 24 H 1S -0.01282 0.01397 -0.02477 -0.07719 0.09958 230 2S 0.04065 0.05287 -0.04405 0.03452 -0.03965 231 25 H 1S 0.07742 0.00774 0.01862 0.09487 -0.06810 232 2S 0.08093 0.11039 -0.03981 0.05680 -0.12569 233 26 H 1S -0.03236 -0.01610 -0.01603 -0.10740 0.05440 234 2S 0.11183 -0.00251 0.15337 0.03331 -0.00786 235 27 H 1S -0.04346 0.03950 -0.03622 -0.11767 -0.13794 236 2S -0.23066 0.00824 -0.04514 -0.07331 -0.20705 237 28 Br 1S -0.00020 -0.00061 -0.00108 0.00291 0.00269 238 2S -0.00220 0.00255 0.00130 -0.01692 -0.01843 239 3S 0.00972 0.00082 0.00921 0.01556 0.02326 240 4S -0.00716 -0.01449 -0.01880 0.04618 0.03983 241 5S -0.00301 -0.07639 0.20612 -0.40212 -0.39503 242 6S -0.01736 0.13352 -0.43936 0.88318 0.87152 243 7PX 0.01417 0.01920 0.01172 0.03655 -0.06897 244 7PY 0.00731 -0.01148 0.00941 -0.04388 -0.00073 245 7PZ 0.00361 -0.01721 0.06072 0.00476 0.00737 246 8PX -0.04561 -0.06155 -0.03786 -0.11771 0.22198 247 8PY -0.02335 0.03724 -0.03006 0.14123 0.00247 248 8PZ -0.01135 0.05586 -0.19557 -0.01565 -0.02393 249 9PX 0.15306 0.19479 0.13533 0.39021 -0.74026 250 9PY 0.07271 -0.13807 0.09621 -0.47796 -0.01643 251 9PZ 0.03234 -0.20206 0.66596 0.05025 0.07735 252 10PX -0.17259 -0.20804 -0.19155 -0.30961 0.82540 253 10PY -0.08906 0.16692 -0.16390 0.62364 0.08928 254 10PZ -0.13103 0.10135 -0.84153 0.24125 0.16871 255 11XX 0.09503 -0.09099 -0.01382 -0.01610 -0.00516 256 11YY -0.08652 0.08764 0.08939 0.05205 0.03685 257 11ZZ -0.02462 0.00223 -0.09498 -0.05416 -0.06305 258 11XY -0.11701 -0.08419 0.00682 -0.03835 -0.00655 259 11XZ 0.00179 0.08968 -0.04764 -0.02137 0.00692 260 11YZ 0.08637 0.01472 0.03339 -0.01511 0.02201 261 12XX -0.48476 0.36570 0.07792 -0.07424 -0.15028 262 12YY 0.34234 -0.44939 -0.42906 -0.36337 -0.36488 263 12ZZ 0.02827 -0.10592 0.41129 0.18331 0.17836 264 12XY 0.53635 0.38680 -0.03146 0.18376 0.04479 265 12XZ -0.01692 -0.43608 0.20709 0.12058 0.01091 266 12YZ -0.40840 -0.07203 -0.17909 0.11853 -0.08446 267 29 C 1S 0.00567 0.00351 -0.00519 0.00338 -0.00191 268 2S 0.02872 0.04089 0.02445 -0.01829 0.06426 269 2PX -0.02073 -0.01974 -0.07163 0.01874 0.11731 270 2PY 0.00227 -0.15108 -0.07903 0.14668 -0.00326 271 2PZ -0.03596 -0.01059 0.09936 -0.07858 -0.08913 272 3S -0.06479 -0.20098 -0.07918 0.08837 -0.15821 273 3PX 0.01007 0.06725 0.06211 0.19108 -0.07685 274 3PY 0.17539 0.13597 0.02120 -0.24130 0.05673 275 3PZ 0.20857 -0.06660 -0.15186 0.38221 0.35786 276 4XX -0.00372 -0.00405 0.00127 0.01022 -0.00240 277 4YY 0.00873 0.00222 -0.01316 0.01301 0.00713 278 4ZZ 0.01192 0.01112 0.00931 -0.01987 0.00780 279 4XY 0.00910 -0.01389 -0.01845 0.02003 0.01755 280 4XZ 0.00512 0.00210 0.00573 -0.01804 -0.00096 281 4YZ 0.02087 -0.01136 -0.02367 0.03515 0.00645 282 30 H 1S -0.04148 0.02139 0.01589 0.03807 -0.06389 283 2S -0.11773 0.13629 -0.02216 0.12012 -0.00050 284 31 H 1S -0.03261 0.06627 0.10581 -0.22612 -0.05557 285 2S 0.02067 0.00304 -0.03451 -0.20572 -0.09369 286 32 H 1S 0.00309 -0.05692 -0.06034 0.08118 0.03310 287 2S -0.03740 0.05640 0.06726 -0.09109 -0.05838 288 33 H 1S -0.07373 0.07833 0.09296 -0.10213 0.00963 289 2S -0.17818 0.06081 -0.10614 -0.02408 -0.00100 290 34 H 1S 0.05035 -0.07224 -0.06659 0.06401 0.04103 291 2S 0.03968 -0.00919 0.09820 0.12557 0.12289 292 35 H 1S 0.01097 -0.05945 -0.04382 0.10526 0.02805 293 2S 0.04129 -0.06172 -0.03184 0.01567 0.00777 294 36 H 1S 0.01483 -0.00652 0.04343 -0.08590 0.01431 295 2S -0.00600 0.01721 -0.01668 0.06015 -0.05475 296 37 H 1S 0.05830 0.08676 0.04578 -0.11584 0.08494 297 2S 0.14412 0.03549 -0.08026 -0.20350 0.14248 298 38 H 1S -0.02422 -0.06144 -0.01889 0.04342 -0.06849 299 2S -0.09194 0.11039 0.03590 0.04154 0.03731 300 39 H 1S -0.05356 0.02909 0.01164 0.04551 -0.16540 301 2S 0.17705 0.03661 0.07637 -0.24019 -0.06508 302 40 H 1S 0.06660 -0.11877 0.03198 -0.05959 0.05033 303 2S 0.07653 -0.17453 0.22268 0.12019 0.08675 126 127 128 129 130 V V V V V Eigenvalues -- 0.35739 0.36940 0.37933 0.39303 0.39940 1 1 C 1S 0.00294 0.00085 -0.00174 0.00701 0.00458 2 2S -0.04098 -0.06193 0.20438 -0.02760 0.02783 3 2PX 0.06468 -0.29795 0.28068 -0.04455 0.04722 4 2PY -0.17166 0.11544 0.11956 -0.08363 -0.03086 5 2PZ 0.17343 -0.15389 -0.21841 0.16320 0.03589 6 3S 0.12277 0.43090 -0.54676 0.05537 -0.17061 7 3PX -0.04891 0.51749 -0.46144 0.07650 -0.09456 8 3PY 0.23896 -0.14675 -0.25750 0.12540 -0.12984 9 3PZ -0.21475 0.24784 0.39741 -0.19573 0.07801 10 4XX 0.00378 -0.01747 0.00784 0.00658 0.00252 11 4YY 0.00412 0.01080 -0.01056 0.02225 0.00362 12 4ZZ -0.01309 0.01512 0.02696 -0.02552 -0.00152 13 4XY 0.00751 -0.02895 -0.02897 0.00889 0.02155 14 4XZ -0.01935 0.01256 -0.00055 -0.01137 -0.00942 15 4YZ 0.00737 -0.02275 -0.00517 -0.00674 -0.01721 16 2 C 1S -0.00745 0.00396 0.00199 -0.01799 -0.00485 17 2S 0.03594 0.03130 -0.01113 0.01701 -0.06269 18 2PX 0.08431 0.07745 -0.05145 -0.13036 -0.16375 19 2PY 0.06707 -0.16670 -0.04826 -0.20571 -0.15863 20 2PZ -0.07583 0.11350 0.05387 -0.11966 0.06450 21 3S -0.26302 -0.07332 0.14940 -0.13834 0.12797 22 3PX -0.03067 -0.16645 0.17506 0.35522 0.37921 23 3PY -0.07029 0.17021 0.09735 0.24672 0.27780 24 3PZ 0.24010 -0.18750 0.05621 0.17127 0.11332 25 4XX -0.01902 -0.01257 -0.00537 -0.02211 0.00433 26 4YY 0.00610 -0.00361 -0.00098 -0.01586 -0.02269 27 4ZZ 0.00101 0.02528 0.01459 0.01434 0.00210 28 4XY 0.01876 -0.02401 -0.00948 -0.01704 -0.02361 29 4XZ -0.01390 0.02807 0.00831 -0.00427 -0.00711 30 4YZ 0.03175 -0.01897 -0.01926 0.04346 0.02252 31 3 C 1S 0.00184 -0.00277 -0.00919 0.00889 -0.00139 32 2S -0.06886 -0.01855 0.09900 -0.05213 0.01486 33 2PX -0.15091 0.12877 0.10129 0.17557 0.16944 34 2PY 0.04052 0.07976 0.01710 0.11939 0.09890 35 2PZ -0.06571 -0.06514 0.14419 -0.13124 -0.00374 36 3S 0.19408 0.15047 -0.21719 0.03688 -0.21333 37 3PX 0.19340 -0.12925 -0.06031 -0.29885 -0.26210 38 3PY -0.12055 -0.19598 -0.19117 -0.07527 -0.04817 39 3PZ -0.00126 0.08250 -0.16827 0.14367 -0.12302 40 4XX -0.01216 0.01872 0.00389 0.01209 -0.00497 41 4YY -0.00228 -0.01750 0.00212 -0.01640 -0.00940 42 4ZZ 0.00390 -0.00519 0.00036 0.00387 0.00761 43 4XY 0.01437 -0.01421 -0.00024 -0.04340 -0.03651 44 4XZ -0.00062 0.00736 -0.02048 -0.00311 0.00518 45 4YZ -0.02244 0.00989 0.04358 -0.00618 0.01405 46 4 C 1S 0.00346 0.00304 0.00874 0.00629 0.00744 47 2S 0.03824 -0.04898 0.08138 0.05177 -0.03214 48 2PX 0.05875 -0.18429 0.02910 -0.15074 -0.01270 49 2PY -0.12286 0.02162 -0.05748 -0.00617 0.07888 50 2PZ 0.12448 -0.07112 0.19833 0.28104 0.14810 51 3S -0.41448 0.10545 -0.26740 -0.17580 -0.05158 52 3PX -0.11078 0.33038 -0.00971 0.17652 0.01285 53 3PY 0.27807 -0.03737 0.23561 0.02938 -0.15022 54 3PZ -0.18581 0.20087 -0.28852 -0.65270 -0.05876 55 4XX -0.02766 0.01293 0.03135 0.03941 0.03033 56 4YY -0.00847 -0.02204 -0.00196 -0.00773 0.01246 57 4ZZ 0.03466 0.00356 -0.00722 -0.01736 -0.04577 58 4XY -0.00238 -0.00291 -0.00606 0.00212 0.01901 59 4XZ 0.01176 -0.00822 0.01367 -0.02462 -0.01999 60 4YZ 0.00676 0.01907 -0.02470 -0.03059 -0.00868 61 5 C 1S -0.00689 -0.00222 0.01059 0.01238 0.01337 62 2S 0.00831 0.13130 -0.05918 -0.15262 -0.05888 63 2PX 0.06212 -0.05782 -0.24155 0.11797 0.13202 64 2PY 0.02896 -0.16212 0.01919 0.00481 -0.14988 65 2PZ -0.03434 0.10656 -0.08720 -0.12765 -0.05487 66 3S 0.22560 -0.43601 0.06211 0.53917 -0.05252 67 3PX -0.24354 0.07219 -0.04664 -0.59421 -0.21969 68 3PY -0.09577 -0.02283 0.24763 0.39480 0.53704 69 3PZ -0.18581 -0.14047 0.08944 0.31048 0.27168 70 4XX 0.03436 0.04259 -0.02784 0.00151 -0.00930 71 4YY -0.00921 -0.00033 0.01464 -0.00985 -0.01468 72 4ZZ -0.02241 -0.02832 0.01346 0.01064 0.02273 73 4XY -0.02938 0.02619 0.01183 -0.01403 0.02004 74 4XZ 0.01305 -0.02066 0.03317 0.00889 0.00931 75 4YZ -0.04544 -0.00837 -0.03043 -0.00346 0.03217 76 6 C 1S 0.01461 -0.00487 0.00132 -0.02886 0.00314 77 2S -0.09583 0.11579 -0.00365 0.06957 -0.06237 78 2PX -0.16983 0.02784 0.07256 -0.02155 0.03797 79 2PY 0.08312 -0.01667 0.09920 -0.09626 0.11988 80 2PZ -0.24718 -0.15535 0.05057 -0.06217 0.07229 81 3S 0.35955 -0.50154 0.28157 0.06994 0.56891 82 3PX 0.27605 0.01839 -0.20095 0.24036 0.10222 83 3PY -0.53163 -0.02226 0.07319 -0.33585 -0.12993 84 3PZ 0.28846 -0.07697 -0.30531 0.07591 -0.17404 85 4XX 0.01363 -0.04460 0.06333 -0.00201 -0.01232 86 4YY 0.02031 0.03008 -0.03749 -0.01861 0.02609 87 4ZZ -0.02323 0.01411 -0.02026 0.00091 -0.01086 88 4XY -0.01984 0.05034 -0.00348 -0.01229 -0.03008 89 4XZ 0.02141 -0.00809 -0.00778 0.01300 0.00088 90 4YZ 0.00549 -0.02489 -0.01531 0.00946 -0.02464 91 7 C 1S -0.01194 0.00046 -0.00431 0.01743 -0.01598 92 2S 0.13190 -0.00893 -0.04015 -0.10487 0.16666 93 2PX -0.05805 0.06627 -0.00590 0.02877 -0.15560 94 2PY 0.05583 -0.04423 -0.06572 0.01949 0.16928 95 2PZ -0.21020 -0.00826 0.01054 0.17144 -0.09025 96 3S -0.95370 0.13029 0.24008 -0.14083 -0.49791 97 3PX 0.24437 -0.06588 -0.20232 -0.10700 0.20538 98 3PY -0.28950 0.23087 0.20047 -0.37715 -0.22488 99 3PZ 0.78259 0.23408 -0.02635 -0.31127 0.18073 100 4XX -0.03948 0.01878 0.00448 0.00299 -0.01803 101 4YY -0.00003 -0.01882 0.00581 0.00646 0.00828 102 4ZZ 0.01471 -0.00118 -0.01587 -0.01729 0.01168 103 4XY 0.02923 -0.05372 0.01583 0.01152 -0.00267 104 4XZ 0.00316 0.01143 -0.01742 -0.00306 0.00412 105 4YZ 0.01964 0.03093 0.00200 -0.00747 0.00148 106 8 C 1S -0.00288 -0.00247 -0.00077 -0.01534 -0.00392 107 2S -0.09981 0.06316 -0.04711 -0.01462 0.09601 108 2PX 0.31956 -0.07645 -0.05878 -0.11867 0.25907 109 2PY -0.19615 0.10903 -0.12623 -0.15354 0.22916 110 2PZ -0.00484 0.01521 0.01347 0.00909 -0.13492 111 3S 0.15140 0.01247 0.22893 0.07777 -0.23439 112 3PX -0.25127 0.17692 0.06273 0.08908 -0.52426 113 3PY 0.18194 -0.24082 0.03706 0.55603 -0.41638 114 3PZ -0.12626 -0.19796 -0.11036 -0.11136 0.24272 115 4XX -0.01491 0.03198 -0.00057 -0.01020 0.00183 116 4YY -0.00043 -0.01524 -0.00780 -0.01345 0.02487 117 4ZZ -0.00255 -0.00285 0.00256 -0.00097 -0.01040 118 4XY -0.01275 0.01708 -0.00103 -0.02175 0.02289 119 4XZ -0.00836 -0.00743 0.00538 0.01010 -0.00045 120 4YZ 0.01990 0.00272 0.00239 0.03038 -0.00753 121 9 C 1S -0.00755 0.00516 -0.01009 0.00385 0.01677 122 2S -0.04906 0.05690 0.00598 0.05423 -0.09704 123 2PX 0.15413 -0.08278 0.20094 0.19113 -0.14662 124 2PY -0.05681 -0.01680 -0.14491 0.12284 -0.01149 125 2PZ -0.02395 -0.02931 0.02614 -0.17441 0.13749 126 3S 0.17627 -0.28180 0.26841 -0.50456 0.48324 127 3PX -0.20161 0.02868 -0.12636 0.01122 0.13379 128 3PY 0.11097 0.14911 0.31243 -0.24462 -0.19010 129 3PZ -0.03946 0.18176 0.01442 0.32851 -0.02887 130 4XX -0.00986 -0.01656 0.00413 -0.01073 0.01143 131 4YY 0.00085 0.02228 0.00847 -0.01672 0.01946 132 4ZZ -0.00967 0.00809 -0.01511 0.02402 -0.01113 133 4XY -0.00146 0.00528 -0.03405 -0.02951 0.03370 134 4XZ -0.01583 0.00697 -0.00708 0.01826 -0.01975 135 4YZ 0.01624 -0.01530 0.00865 0.00740 -0.05287 136 10 C 1S 0.01291 0.00605 -0.01729 -0.00582 -0.01316 137 2S -0.04081 0.01323 -0.00260 -0.02956 0.06112 138 2PX -0.14490 -0.06186 0.10052 -0.06734 0.09710 139 2PY -0.01803 -0.11057 -0.04150 -0.07977 -0.12848 140 2PZ -0.10047 0.07591 -0.11849 0.11854 0.02790 141 3S -0.11254 -0.36698 0.03555 0.65407 0.01163 142 3PX 0.26141 0.04940 -0.28334 0.07385 -0.47053 143 3PY 0.10255 -0.12548 0.00209 0.12462 0.02257 144 3PZ -0.04025 0.04667 0.01074 0.06537 0.11779 145 4XX -0.00134 -0.01499 -0.04068 0.01148 0.01826 146 4YY -0.00156 -0.00828 -0.00302 -0.00003 -0.02642 147 4ZZ 0.00639 0.02306 0.01765 0.00217 0.00259 148 4XY 0.00080 -0.04323 0.02089 -0.02500 -0.02241 149 4XZ -0.02641 0.01155 0.01188 -0.01036 0.01391 150 4YZ 0.01879 0.01828 0.03085 -0.03483 0.01819 151 11 C 1S -0.00724 -0.01007 -0.00164 -0.01240 -0.00420 152 2S 0.03147 -0.08034 0.00138 0.10218 -0.09002 153 2PX -0.00494 0.27523 0.16101 0.08963 -0.02259 154 2PY -0.00992 0.06507 0.00187 0.04085 0.23891 155 2PZ 0.01213 -0.10244 -0.08446 0.11632 -0.11203 156 3S -0.09642 0.49575 0.28422 -0.28400 0.45774 157 3PX 0.00601 -0.43622 -0.07537 -0.15634 -0.03474 158 3PY 0.03722 -0.21305 -0.02301 -0.02196 -0.43104 159 3PZ 0.02242 0.08733 0.13618 -0.29102 0.11277 160 4XX -0.01169 0.00081 0.01997 -0.00887 -0.00957 161 4YY -0.00111 -0.01685 -0.00755 -0.00283 0.00158 162 4ZZ 0.00804 -0.00199 -0.00098 0.00920 -0.00226 163 4XY -0.00550 -0.02200 -0.00136 0.01504 -0.01069 164 4XZ 0.00572 -0.00195 -0.02806 0.00584 0.01077 165 4YZ 0.00625 0.01353 -0.00481 0.04808 -0.02036 166 12 H 1S 0.01118 -0.01436 -0.02949 -0.15277 0.07422 167 2S 0.00421 -0.11959 0.02465 -0.02710 -0.13308 168 13 H 1S 0.01875 0.01689 -0.08734 0.19081 -0.02724 169 2S -0.07231 -0.01215 -0.10215 0.02593 0.03907 170 14 C 1S 0.00710 0.00993 0.00567 0.00453 0.00078 171 2S -0.03478 -0.02009 0.03929 -0.03826 0.00867 172 2PX 0.05311 -0.08233 -0.11538 0.05151 -0.01455 173 2PY 0.02458 0.08785 -0.01379 0.05358 -0.01909 174 2PZ 0.00367 -0.01157 0.08419 -0.04967 0.03422 175 3S 0.03609 -0.02979 -0.16332 0.19446 -0.16543 176 3PX -0.03546 0.21954 0.17041 -0.06456 0.09671 177 3PY 0.05032 -0.10439 -0.04181 -0.04090 0.04852 178 3PZ -0.09804 -0.06616 -0.12594 0.12985 -0.05456 179 4XX 0.00202 0.02343 0.00564 0.01418 -0.01552 180 4YY 0.00265 -0.00669 0.00224 0.01205 0.00222 181 4ZZ -0.00407 -0.01148 0.00355 -0.01991 0.00751 182 4XY 0.00205 -0.00880 -0.02966 -0.00304 0.00793 183 4XZ -0.00568 -0.01987 -0.00350 0.00066 0.00234 184 4YZ -0.01408 0.00504 0.01267 -0.02317 -0.00227 185 15 H 1S 0.04698 0.01844 -0.08630 0.07053 0.04660 186 2S -0.07073 -0.01029 0.12496 -0.05711 0.03944 187 16 H 1S -0.05486 -0.05932 0.00797 -0.11951 0.03123 188 2S 0.01281 0.01051 0.01300 0.04322 0.03577 189 17 C 1S -0.00875 -0.00129 0.00033 -0.00773 -0.00484 190 2S -0.00664 0.01079 0.00625 0.10366 -0.04038 191 2PX 0.01021 -0.02981 -0.04295 -0.15704 0.13954 192 2PY 0.05375 -0.07862 0.01195 0.09024 0.00776 193 2PZ -0.04353 0.06421 0.03066 0.04440 -0.06801 194 3S 0.16862 -0.02495 0.04246 -0.35260 0.17676 195 3PX -0.14696 0.02990 -0.00152 0.15196 -0.20078 196 3PY -0.11328 0.12012 -0.00083 -0.09635 -0.14669 197 3PZ 0.05472 -0.09206 -0.05306 -0.05278 0.12900 198 4XX -0.00492 0.00205 -0.01130 -0.01961 0.01393 199 4YY -0.00445 -0.00502 0.01000 0.00395 -0.01876 200 4ZZ 0.00298 0.00275 0.00566 0.01867 -0.00386 201 4XY -0.00728 0.01662 0.01380 0.01575 -0.03378 202 4XZ 0.00781 -0.00989 0.00872 0.02526 -0.01324 203 4YZ 0.00909 0.00514 -0.00225 0.01436 0.00436 204 18 C 1S 0.01211 0.00136 0.00760 0.00805 -0.00733 205 2S -0.05114 -0.04789 0.04461 -0.07485 0.01226 206 2PX -0.05640 0.11862 -0.07376 0.01342 -0.12393 207 2PY -0.02229 0.00979 0.15351 -0.08453 -0.13277 208 2PZ 0.07067 -0.01617 0.01145 0.08073 -0.02855 209 3S -0.09907 0.24738 -0.08634 0.23618 -0.33855 210 3PX 0.01196 -0.22761 0.12427 0.01409 -0.00303 211 3PY -0.09542 0.01969 -0.21826 0.14370 0.17874 212 3PZ -0.05906 0.05794 -0.08203 -0.18961 0.04787 213 4XX 0.00660 -0.00187 0.02695 0.01150 -0.04318 214 4YY -0.00453 0.00277 -0.00216 -0.00626 0.00317 215 4ZZ -0.00860 -0.00217 -0.00471 -0.00329 0.01765 216 4XY -0.02664 0.01582 -0.00511 -0.01006 0.00201 217 4XZ 0.00269 -0.00570 -0.03214 -0.01760 0.02601 218 4YZ -0.00545 -0.00979 0.01148 -0.01590 0.02101 219 19 H 1S -0.05366 -0.00566 -0.04312 -0.08573 0.16460 220 2S 0.04018 -0.00040 0.02003 -0.00524 -0.03555 221 20 H 1S 0.07251 -0.00110 -0.07057 0.00818 0.02758 222 2S 0.01184 -0.01861 0.12869 -0.02028 0.10044 223 21 H 1S 0.04762 0.01962 0.05410 0.13154 -0.07459 224 2S 0.00768 0.00069 0.00896 -0.02137 0.00990 225 22 H 1S -0.00964 -0.02553 -0.11248 -0.10798 0.13509 226 2S 0.00551 0.01196 0.01436 0.14599 -0.13971 227 23 H 1S 0.04338 0.05397 0.12931 -0.13161 0.01161 228 2S -0.02062 0.08915 -0.22918 0.12509 -0.02599 229 24 H 1S 0.01131 -0.01823 -0.07340 0.03246 -0.11662 230 2S -0.04446 -0.06365 -0.21354 -0.03570 0.05934 231 25 H 1S 0.06800 -0.09679 -0.01176 0.07815 -0.03492 232 2S -0.19506 -0.09111 -0.09347 0.13755 -0.05163 233 26 H 1S -0.00935 -0.03568 0.05092 0.02047 -0.07969 234 2S -0.02919 0.09930 0.03189 0.06641 -0.03011 235 27 H 1S -0.11186 -0.20870 0.04230 0.13758 -0.11368 236 2S -0.15214 0.03007 -0.14573 -0.06481 0.00241 237 28 Br 1S 0.00267 0.00084 -0.00100 -0.00133 -0.00058 238 2S -0.01860 -0.00643 0.00483 0.00747 0.00359 239 3S 0.02407 0.00920 -0.00175 -0.00632 -0.00411 240 4S 0.03937 0.01264 -0.01892 -0.02143 -0.00779 241 5S -0.47494 -0.14113 0.05994 0.19445 0.05724 242 6S 1.09003 0.32069 -0.10181 -0.45183 -0.06535 243 7PX -0.00135 0.03891 -0.01639 0.01157 -0.00470 244 7PY 0.03489 0.03020 0.02315 0.00325 0.02195 245 7PZ -0.04744 -0.02581 -0.00311 0.00930 -0.01505 246 8PX 0.00428 -0.12535 0.05292 -0.03730 0.01508 247 8PY -0.11232 -0.09729 -0.07451 -0.01045 -0.07080 248 8PZ 0.15263 0.08311 0.01018 -0.02981 0.04838 249 9PX -0.01495 0.41631 -0.18281 0.12871 -0.04749 250 9PY 0.36781 0.32457 0.25270 0.03534 0.24190 251 9PZ -0.51854 -0.28026 -0.03556 0.10173 -0.15782 252 10PX 0.11056 -0.35923 0.20241 -0.18532 0.05489 253 10PY -0.24988 -0.29877 -0.32682 -0.07910 -0.26256 254 10PZ 0.84892 0.36459 -0.02930 -0.28866 0.20587 255 11XX 0.00584 -0.01250 -0.00091 -0.02167 -0.04303 256 11YY 0.00193 0.00239 -0.00686 0.02240 0.03331 257 11ZZ -0.04056 -0.00330 0.00913 0.00628 0.01451 258 11XY -0.02122 -0.01385 0.01373 0.00854 -0.01852 259 11XZ 0.02786 -0.05711 0.00185 -0.01721 0.03864 260 11YZ 0.01267 0.02975 0.01562 0.01596 -0.03111 261 12XX -0.24776 -0.01389 0.01225 0.16871 0.22923 262 12YY -0.23386 -0.08377 0.01329 -0.04011 -0.14915 263 12ZZ 0.06750 -0.03281 -0.05977 -0.01588 -0.01947 264 12XY 0.10954 0.06704 -0.06374 -0.04475 0.09319 265 12XZ -0.09795 0.28581 -0.00564 0.06463 -0.17990 266 12YZ -0.02747 -0.13639 -0.10110 -0.09025 0.14737 267 29 C 1S -0.00360 0.00128 -0.00188 -0.00562 -0.00517 268 2S -0.09549 -0.09337 0.04492 0.13613 0.12441 269 2PX 0.00392 -0.00019 -0.35400 -0.00672 -0.11930 270 2PY 0.18038 0.09079 0.03846 0.10773 -0.07229 271 2PZ 0.28062 0.16692 -0.05972 -0.18285 -0.29949 272 3S 0.34756 0.30276 -0.24949 -0.49219 -0.40993 273 3PX 0.01636 0.04337 0.58827 0.07297 0.15381 274 3PY -0.33666 -0.16652 -0.20661 -0.18180 0.10805 275 3PZ -0.31438 -0.31714 0.04733 0.39334 0.51402 276 4XX 0.00154 -0.00056 0.02834 0.02496 0.01569 277 4YY 0.00514 -0.01659 -0.00803 0.00950 0.00014 278 4ZZ -0.02662 0.00526 -0.02204 -0.02390 -0.00271 279 4XY -0.00340 -0.00973 -0.03996 0.02508 0.00082 280 4XZ -0.00730 -0.00081 -0.02566 -0.02009 -0.01827 281 4YZ -0.00129 -0.00648 0.01171 0.00012 0.00433 282 30 H 1S 0.05314 0.04558 0.24376 0.00298 0.00509 283 2S -0.05466 0.00747 0.15811 0.06588 -0.00936 284 31 H 1S -0.04775 0.06608 -0.09841 -0.12003 -0.06096 285 2S -0.13645 -0.00951 0.00190 -0.00728 0.01452 286 32 H 1S 0.05962 -0.04503 -0.07797 0.14058 -0.00591 287 2S 0.01061 -0.07967 0.03987 0.04492 0.01876 288 33 H 1S 0.10751 0.06781 -0.11110 -0.16015 -0.08434 289 2S 0.06802 0.03736 0.17726 -0.01375 0.19143 290 34 H 1S -0.07732 -0.04180 -0.01190 0.06134 0.14653 291 2S 0.05680 -0.01471 -0.08767 -0.01080 0.02540 292 35 H 1S -0.05725 -0.00384 0.15887 -0.01763 0.05748 293 2S 0.07977 0.00300 0.04840 0.02012 0.05486 294 36 H 1S 0.05555 -0.00792 -0.14633 0.04247 0.01936 295 2S -0.09881 0.01831 0.14282 -0.11176 -0.11164 296 37 H 1S 0.12731 -0.01310 -0.02720 0.15885 0.07503 297 2S 0.07285 -0.00604 0.11512 -0.07721 0.10882 298 38 H 1S -0.03016 -0.04107 -0.03757 0.00289 0.06797 299 2S 0.08594 0.06575 -0.01039 0.11080 -0.03831 300 39 H 1S -0.01563 -0.01600 0.00237 -0.06775 -0.04867 301 2S -0.04144 -0.09702 0.08686 0.01826 0.10580 302 40 H 1S 0.02511 -0.03919 -0.12873 0.14157 0.09843 303 2S -0.03882 -0.03237 0.01752 -0.00321 -0.12084 131 132 133 134 135 V V V V V Eigenvalues -- 0.41235 0.42322 0.43341 0.44322 0.45844 1 1 C 1S -0.00703 -0.00711 -0.01182 -0.00257 -0.01010 2 2S 0.08913 -0.02703 0.10755 0.08302 0.10258 3 2PX 0.08052 0.09032 0.05240 0.14376 0.23956 4 2PY 0.08217 -0.10080 -0.01317 0.03580 -0.02024 5 2PZ -0.03852 0.19748 0.04130 0.00005 0.01643 6 3S -0.09323 -0.02060 -0.22531 -0.26574 -0.56843 7 3PX 0.04966 -0.03047 0.02360 -0.18197 -0.63589 8 3PY -0.13869 0.32844 -0.08719 -0.06450 0.08341 9 3PZ 0.04681 -0.51252 0.01778 0.04149 0.06837 10 4XX 0.01231 -0.00321 0.00597 -0.00831 -0.02678 11 4YY -0.01588 0.01578 -0.00058 -0.01539 0.00720 12 4ZZ 0.01369 -0.03203 -0.00313 0.02998 0.00860 13 4XY -0.01316 0.00921 0.02308 -0.00275 0.00803 14 4XZ 0.01229 -0.00241 -0.00745 0.00770 -0.01361 15 4YZ 0.01175 0.03102 0.02247 0.01431 0.03060 16 2 C 1S 0.00293 -0.00960 0.00380 -0.00328 -0.00029 17 2S 0.02058 0.00724 -0.04109 0.01919 -0.09411 18 2PX 0.16018 -0.04740 0.01700 0.05847 -0.20752 19 2PY 0.10961 0.01965 0.16720 0.17982 0.08178 20 2PZ 0.01915 -0.25358 -0.12118 0.09517 -0.13155 21 3S 0.18914 -0.24772 0.22408 0.14991 0.05088 22 3PX -0.10934 0.09459 0.06899 -0.01288 0.43888 23 3PY -0.19373 -0.04222 -0.24824 -0.22590 -0.00283 24 3PZ 0.07401 0.27485 0.28711 -0.09131 0.17065 25 4XX -0.02266 -0.03163 -0.00342 0.01555 0.01113 26 4YY 0.03872 0.01576 0.01704 0.00831 -0.01543 27 4ZZ -0.00056 -0.00430 -0.01072 -0.01702 -0.01517 28 4XY 0.02975 0.01100 0.01665 -0.00451 -0.03005 29 4XZ 0.01454 -0.00230 -0.00575 -0.00779 -0.02036 30 4YZ -0.01844 0.04837 -0.00229 -0.01643 0.01980 31 3 C 1S 0.00284 0.00929 0.00776 0.00790 0.00462 32 2S 0.12386 0.02270 -0.00910 -0.00161 -0.04914 33 2PX 0.08253 0.25232 -0.12857 0.00422 -0.03188 34 2PY -0.30000 -0.14724 -0.13564 -0.04951 0.16846 35 2PZ 0.02047 -0.16085 0.00811 0.07950 0.08446 36 3S -0.02561 0.11029 0.08431 0.08252 -0.10921 37 3PX -0.21185 -0.44622 0.12808 0.05496 0.02759 38 3PY 0.54909 0.32630 0.24426 0.14769 -0.18059 39 3PZ -0.01218 0.21084 -0.05290 -0.14159 -0.10664 40 4XX 0.05203 0.04323 0.01137 0.01491 -0.01294 41 4YY 0.01116 -0.01146 0.01571 0.01787 -0.00942 42 4ZZ -0.02929 -0.01044 -0.01559 -0.02168 0.01082 43 4XY 0.01605 -0.00908 0.00645 0.01275 -0.00875 44 4XZ -0.02330 -0.01593 -0.00295 -0.01216 0.00163 45 4YZ -0.01194 -0.04058 -0.01300 0.00916 0.01421 46 4 C 1S -0.00094 0.01205 -0.01188 -0.01189 -0.00152 47 2S -0.02187 -0.07244 0.15418 0.00352 -0.09168 48 2PX -0.22930 -0.25022 0.06012 -0.04898 -0.03183 49 2PY -0.04043 0.16996 -0.12739 0.12493 0.11264 50 2PZ -0.01164 -0.05624 0.30913 0.00157 -0.09380 51 3S 0.48175 0.30223 -0.49239 0.19247 0.28641 52 3PX 0.26654 0.31533 -0.14578 0.19333 0.07448 53 3PY -0.19970 -0.22720 0.12945 -0.27253 -0.10810 54 3PZ 0.29465 -0.03300 -0.46979 0.14731 0.06581 55 4XX 0.02406 0.03645 -0.00336 -0.00677 -0.01133 56 4YY -0.00729 -0.01743 0.01312 0.00672 0.00552 57 4ZZ -0.00512 -0.00985 -0.00508 -0.01034 -0.00743 58 4XY -0.05006 -0.03501 -0.00044 0.00475 0.02754 59 4XZ -0.00045 -0.01814 -0.01194 -0.00700 0.00424 60 4YZ 0.00819 0.00054 0.00302 -0.00046 -0.01044 61 5 C 1S 0.01754 -0.03576 0.03162 0.02705 -0.00898 62 2S -0.02660 0.11766 -0.15327 -0.11531 0.08679 63 2PX -0.09472 -0.00415 0.15942 -0.24704 -0.11881 64 2PY 0.13843 0.02576 -0.14094 -0.01439 -0.09141 65 2PZ -0.08875 0.09099 -0.07603 0.03688 0.03167 66 3S -0.30736 -0.12579 0.29653 0.09256 -0.25380 67 3PX 0.06701 -0.50692 -0.27535 0.33587 0.14649 68 3PY -0.26409 -0.23096 0.66461 0.15243 0.09067 69 3PZ 0.46376 0.05212 0.04344 0.16318 0.06219 70 4XX -0.03497 -0.01292 -0.01419 0.00363 0.00163 71 4YY 0.01472 -0.00736 0.00172 -0.00862 -0.00070 72 4ZZ 0.02281 -0.01218 0.03219 0.01244 -0.00399 73 4XY 0.03358 0.02948 -0.00624 -0.01030 0.00413 74 4XZ -0.00239 -0.01008 0.02504 -0.02250 -0.00986 75 4YZ 0.02765 -0.00503 -0.00307 0.04283 0.00649 76 6 C 1S -0.00427 0.03627 -0.00737 0.00321 0.02088 77 2S 0.02025 -0.04761 0.00705 -0.07904 -0.14843 78 2PX 0.01029 -0.06755 0.10466 0.08167 0.18018 79 2PY 0.18507 0.04250 0.07553 -0.01086 -0.09021 80 2PZ -0.18763 0.06825 -0.11012 0.09988 0.25224 81 3S -0.03426 -0.28185 0.39567 0.81258 1.18716 82 3PX 0.12163 -0.03174 0.19517 0.05574 -0.33316 83 3PY -0.12297 -0.54590 0.00223 -0.03448 -0.24952 84 3PZ 0.13824 0.35223 -0.00405 -0.03534 -0.07765 85 4XX 0.00317 0.01238 0.01221 0.00420 0.03850 86 4YY -0.01390 0.02154 -0.00147 0.01261 0.01507 87 4ZZ 0.00639 -0.00114 -0.00691 -0.00462 -0.01475 88 4XY -0.01118 0.00357 -0.01730 -0.01164 -0.00330 89 4XZ -0.01276 -0.01020 0.00106 -0.00406 -0.00088 90 4YZ 0.00854 0.00975 0.01202 -0.00500 -0.00969 91 7 C 1S 0.00267 0.01024 0.01797 0.01156 0.03123 92 2S -0.00321 0.01108 0.01802 0.03551 0.00027 93 2PX -0.05126 -0.12001 -0.10208 -0.07282 -0.08849 94 2PY 0.01598 0.04492 0.11933 0.04778 -0.05202 95 2PZ -0.06900 -0.17437 -0.00124 -0.07067 -0.21555 96 3S -0.44673 -0.58294 -0.29740 -0.48671 -0.71184 97 3PX -0.21186 0.19764 -0.02699 0.17725 0.30813 98 3PY -0.01644 -0.16901 -0.16405 -0.41427 -0.44045 99 3PZ 0.22755 0.36827 0.21251 0.40151 0.90692 100 4XX -0.01103 -0.00287 0.01511 -0.02333 -0.02416 101 4YY -0.01252 -0.01778 -0.00942 0.00905 0.00526 102 4ZZ 0.01151 0.01751 0.00859 0.01869 0.02598 103 4XY 0.01511 0.00248 -0.00332 0.00603 -0.00687 104 4XZ -0.00572 0.00070 0.02211 0.01266 0.02941 105 4YZ 0.02014 0.00018 0.00060 0.00337 0.00913 106 8 C 1S -0.00938 -0.00728 -0.00960 -0.01114 -0.01974 107 2S -0.00441 -0.03280 -0.01037 0.01482 0.00351 108 2PX 0.04974 -0.02703 -0.24238 0.13821 0.01397 109 2PY -0.09466 -0.06626 -0.06504 0.03887 -0.04987 110 2PZ 0.02527 -0.00670 0.08535 0.00027 0.12143 111 3S 0.10947 0.18639 0.49393 -0.09053 0.15451 112 3PX -0.41421 -0.06458 0.26335 -0.21282 0.08049 113 3PY 0.29498 0.10811 0.21096 0.26669 0.58843 114 3PZ -0.16118 -0.02044 -0.34530 -0.18080 -0.55642 115 4XX -0.01158 -0.00915 0.01116 -0.01499 -0.00176 116 4YY 0.01334 0.00537 -0.02737 -0.00102 -0.02576 117 4ZZ -0.00640 -0.00375 0.02039 0.00577 0.01795 118 4XY -0.01081 0.00881 0.01784 -0.00149 0.00656 119 4XZ 0.01003 -0.00896 -0.03535 -0.01174 -0.03514 120 4YZ 0.02465 0.00498 -0.01222 0.02723 0.02987 121 9 C 1S 0.01564 0.00501 -0.00775 0.01658 0.00474 122 2S -0.00864 -0.05454 0.05843 -0.00015 0.12904 123 2PX -0.07820 0.00065 -0.05729 0.07077 0.04136 124 2PY 0.10046 -0.09203 -0.08737 0.08712 0.17705 125 2PZ -0.08720 0.07256 0.16217 -0.04872 -0.02853 126 3S 0.01807 0.13040 -0.48531 -0.48694 -1.12914 127 3PX 0.40390 0.18596 0.25589 0.20033 0.26132 128 3PY -0.53775 0.13472 0.40028 -0.28619 0.03417 129 3PZ 0.15463 -0.02782 -0.24248 0.32880 0.13505 130 4XX 0.02082 -0.01167 -0.04018 -0.01545 -0.04267 131 4YY -0.00779 0.00226 0.01338 0.00412 0.01661 132 4ZZ 0.00856 0.00547 0.00969 0.01457 0.01915 133 4XY -0.03068 -0.00956 0.01183 0.01089 0.01222 134 4XZ 0.02435 0.00201 0.03360 -0.00325 0.03783 135 4YZ -0.03165 -0.02167 0.01451 0.00372 0.00882 136 10 C 1S -0.01304 -0.00746 -0.00655 -0.02637 -0.00321 137 2S 0.04642 -0.04586 0.04770 0.03596 0.05740 138 2PX 0.13843 0.32771 0.00741 -0.26443 0.02206 139 2PY -0.13067 -0.10860 0.02875 0.12845 0.01934 140 2PZ 0.26761 0.01284 0.03373 0.16034 0.01410 141 3S 0.32193 0.36542 -0.04519 0.50665 -0.02171 142 3PX -0.25186 -0.43775 -0.34323 0.43531 -0.13516 143 3PY 0.38392 -0.00419 0.03612 -0.33980 -0.30532 144 3PZ 0.00780 -0.10707 0.22051 -0.04486 0.19469 145 4XX -0.01057 0.00346 -0.00076 0.01056 -0.00783 146 4YY 0.00768 -0.00287 0.00502 0.00230 0.01476 147 4ZZ 0.01016 -0.01085 -0.00487 -0.01657 0.00844 148 4XY 0.00305 -0.01016 -0.00402 -0.00391 -0.02200 149 4XZ 0.02378 0.01125 -0.00326 0.02022 0.01882 150 4YZ -0.04316 0.01464 0.01302 -0.02101 -0.01079 151 11 C 1S -0.00899 0.00806 0.00578 0.01470 -0.00126 152 2S 0.01668 -0.05799 -0.00875 -0.01882 -0.04482 153 2PX -0.02577 0.10674 -0.09487 0.12234 0.15275 154 2PY 0.06236 -0.03781 0.16357 -0.14036 -0.00694 155 2PZ 0.08910 -0.17045 0.05381 -0.05169 0.01022 156 3S 0.01128 0.28976 0.00112 -0.07940 0.26772 157 3PX 0.19272 -0.20954 0.05556 -0.09512 -0.28699 158 3PY -0.19768 0.19942 -0.30321 0.33322 -0.22918 159 3PZ -0.28877 0.17253 -0.14894 -0.06347 0.05655 160 4XX -0.00355 0.02097 0.00846 0.02113 0.00304 161 4YY -0.01156 0.00885 -0.00551 0.00231 -0.01331 162 4ZZ 0.00767 -0.02487 0.00488 -0.01354 0.00409 163 4XY 0.01287 -0.01484 -0.00099 -0.02295 0.01172 164 4XZ 0.00390 -0.01228 0.01048 -0.01179 -0.02220 165 4YZ 0.02238 -0.02203 -0.01970 0.01022 0.03204 166 12 H 1S -0.11618 0.03520 0.11198 0.01922 -0.13970 167 2S -0.07256 -0.21044 -0.03467 0.00540 0.17861 168 13 H 1S 0.11814 -0.13408 -0.04138 0.00088 0.11737 169 2S 0.08213 0.00594 0.15012 0.10605 -0.00675 170 14 C 1S 0.00470 -0.00047 -0.01434 0.00142 0.00481 171 2S 0.04330 -0.00952 0.01419 -0.05281 0.03300 172 2PX 0.03912 -0.21927 -0.06661 -0.13531 0.02065 173 2PY -0.11813 0.11066 0.00786 0.30600 -0.04835 174 2PZ 0.06856 -0.09396 -0.17394 -0.16139 0.26295 175 3S -0.15281 -0.04279 -0.08438 0.11785 0.25925 176 3PX 0.06478 0.21953 -0.00937 0.30402 0.03329 177 3PY 0.08562 -0.14388 -0.07416 -0.47225 0.04681 178 3PZ -0.10315 0.23978 0.36992 0.24292 -0.39064 179 4XX -0.00257 -0.00179 -0.01738 0.02124 0.01949 180 4YY 0.00595 -0.00651 -0.01188 0.01589 -0.00475 181 4ZZ 0.01001 0.00210 0.01293 -0.04206 0.00892 182 4XY -0.01390 -0.01021 0.02409 0.02512 -0.03584 183 4XZ 0.02141 -0.01118 0.01321 -0.04296 0.00905 184 4YZ -0.02010 0.03866 0.03194 0.00466 -0.03392 185 15 H 1S -0.01835 -0.06002 -0.05067 0.15658 -0.10477 186 2S 0.04054 0.11389 0.06290 -0.13890 -0.02775 187 16 H 1S -0.03550 0.12532 0.16578 -0.12157 -0.10803 188 2S 0.00851 0.04936 -0.04324 0.03360 0.00067 189 17 C 1S -0.00491 -0.00910 0.01085 -0.01298 0.00723 190 2S 0.06180 0.02151 0.02390 0.00957 0.07528 191 2PX -0.03927 0.04049 -0.15556 0.10207 -0.31047 192 2PY 0.14376 -0.12435 -0.31529 -0.01649 -0.02410 193 2PZ -0.10698 0.13387 0.08714 0.28053 -0.16286 194 3S -0.09928 -0.01992 -0.07041 -0.31253 0.05355 195 3PX 0.03849 -0.12806 0.46538 -0.22562 0.61006 196 3PY -0.17575 0.12212 0.43341 -0.04596 -0.04913 197 3PZ 0.19586 -0.18720 -0.09626 -0.28376 0.35068 198 4XX -0.00680 -0.00035 0.03453 -0.01531 0.00940 199 4YY -0.00082 0.00266 0.01638 -0.02104 0.00812 200 4ZZ 0.01703 -0.00854 -0.03410 0.00953 0.01043 201 4XY -0.01873 0.01841 0.02231 0.02692 0.01026 202 4XZ 0.00963 -0.02308 -0.02956 0.00811 0.01323 203 4YZ -0.01388 0.02071 -0.01317 0.06820 -0.05217 204 18 C 1S -0.00666 0.00594 0.00993 0.00944 0.00064 205 2S 0.03736 0.01220 -0.06531 -0.07874 -0.08521 206 2PX -0.14829 0.01267 0.30870 0.02416 0.24477 207 2PY -0.11972 0.08177 0.14418 -0.13739 -0.05511 208 2PZ -0.08872 -0.04547 -0.08172 0.11425 -0.14471 209 3S -0.37189 -0.14961 0.37462 0.04587 0.33094 210 3PX 0.23802 -0.04873 -0.43286 -0.06823 -0.61985 211 3PY 0.25866 -0.16277 -0.18594 0.09949 0.25247 212 3PZ -0.08438 0.05042 0.05123 -0.23886 0.09121 213 4XX -0.01922 -0.00606 0.01262 -0.01067 0.00866 214 4YY -0.01221 0.00514 0.02044 -0.00549 -0.00404 215 4ZZ 0.01732 0.00393 -0.02070 0.01114 -0.01302 216 4XY 0.01347 0.01826 0.04455 -0.02451 0.03549 217 4XZ 0.00607 -0.01759 -0.01659 0.00869 0.00278 218 4YZ 0.03606 0.00018 -0.02837 -0.05367 0.01007 219 19 H 1S 0.15722 0.01059 -0.06172 -0.17900 0.07638 220 2S -0.08680 0.01025 -0.01656 -0.01306 -0.07750 221 20 H 1S -0.10629 -0.00905 0.01232 0.23625 -0.06982 222 2S 0.19450 0.09283 0.04863 -0.08775 0.18192 223 21 H 1S -0.05210 0.01269 -0.15220 0.25819 -0.11811 224 2S -0.05480 -0.00555 0.00233 -0.08516 -0.04842 225 22 H 1S -0.00209 0.00818 0.05358 -0.02979 -0.10211 226 2S 0.01608 -0.02276 -0.11497 0.08031 -0.02023 227 23 H 1S -0.05391 0.00488 0.02674 -0.11567 -0.02887 228 2S 0.25146 -0.32015 0.19128 -0.05416 -0.02953 229 24 H 1S -0.07410 -0.05171 0.10302 0.07149 0.07773 230 2S 0.20986 -0.06314 -0.14213 0.01407 -0.10797 231 25 H 1S 0.10293 0.01154 -0.11470 0.07895 0.02497 232 2S 0.06478 -0.05759 -0.07326 0.06958 0.08254 233 26 H 1S -0.02848 -0.05542 0.07083 -0.01372 0.00680 234 2S 0.06345 -0.04975 0.06163 0.06513 0.13663 235 27 H 1S -0.03450 0.00576 -0.02217 -0.04739 -0.08743 236 2S -0.13821 0.04126 -0.01799 -0.10085 -0.08122 237 28 Br 1S 0.00075 0.00292 -0.00147 -0.00053 0.00073 238 2S -0.00295 -0.01911 0.00960 0.00466 -0.00415 239 3S -0.00053 0.02251 -0.01152 -0.00824 0.00315 240 4S 0.01385 0.04402 -0.02101 -0.00533 0.01373 241 5S -0.05702 -0.35785 0.07472 0.03030 -0.14521 242 6S 0.12508 0.72791 -0.04952 0.02483 0.43980 243 7PX -0.00336 -0.01423 0.01552 0.00266 0.01233 244 7PY 0.01688 -0.03020 0.02053 -0.00090 -0.00680 245 7PZ -0.01535 0.00627 -0.01183 -0.00288 -0.00551 246 8PX 0.01074 0.04592 -0.05014 -0.00866 -0.04001 247 8PY -0.05454 0.09754 -0.06633 0.00286 0.02195 248 8PZ 0.04943 -0.02037 0.03816 0.00910 0.01751 249 9PX -0.03420 -0.15864 0.17189 0.03107 0.14078 250 9PY 0.18667 -0.34103 0.22738 -0.00989 -0.07408 251 9PZ -0.16920 0.06716 -0.13333 -0.02835 -0.05848 252 10PX 0.06547 0.22254 -0.15587 0.00325 -0.04685 253 10PY -0.16033 0.43189 -0.21195 0.04697 0.11714 254 10PZ 0.27004 0.10256 0.21859 0.15436 0.35218 255 11XX 0.02044 0.00246 0.02977 0.02199 0.02357 256 11YY -0.00342 -0.02771 0.00994 0.00950 0.00869 257 11ZZ -0.01452 -0.00397 -0.02527 -0.01998 -0.03637 258 11XY 0.02100 0.00082 -0.00049 -0.02449 -0.02940 259 11XZ -0.02418 -0.00806 -0.01628 0.01266 0.00764 260 11YZ -0.00040 -0.01941 0.00222 -0.02978 -0.03656 261 12XX -0.09484 -0.16996 -0.10475 -0.07071 -0.15991 262 12YY 0.02386 -0.01693 -0.01113 -0.01795 -0.11204 263 12ZZ 0.09765 -0.09340 0.18164 0.17087 0.21531 264 12XY -0.09808 0.00579 0.00426 0.12706 0.15985 265 12XZ 0.13228 0.05629 0.08720 -0.04927 -0.00063 266 12YZ 0.01205 0.11306 0.00030 0.16048 0.19880 267 29 C 1S -0.00753 0.00562 -0.00932 -0.01173 0.00355 268 2S 0.12650 -0.07360 0.09369 0.15264 0.04185 269 2PX 0.10858 -0.06581 -0.02707 0.02124 0.02996 270 2PY -0.27992 0.17757 -0.09525 -0.17653 -0.05862 271 2PZ -0.15475 0.17015 -0.31519 -0.19514 0.11366 272 3S -0.17954 0.21182 -0.30436 -0.22460 -0.20714 273 3PX -0.09154 0.22620 -0.01433 0.13691 -0.01440 274 3PY 0.45491 -0.18550 0.09227 0.30038 0.06618 275 3PZ 0.27974 -0.23227 0.54118 0.35022 -0.25771 276 4XX -0.01550 -0.00321 0.00882 0.00414 -0.00835 277 4YY 0.01517 -0.00704 0.00941 0.00455 0.00112 278 4ZZ 0.02400 0.00586 -0.02029 0.01085 0.01567 279 4XY 0.00135 -0.00857 0.01620 0.00463 -0.01471 280 4XZ 0.00255 -0.00169 -0.01971 0.01142 0.01024 281 4YZ -0.00153 0.01704 -0.00570 0.00387 -0.00899 282 30 H 1S -0.06201 0.06430 -0.04938 -0.02477 0.03046 283 2S 0.01056 0.03576 -0.05083 0.12493 0.13060 284 31 H 1S -0.02061 0.00181 -0.08814 -0.03766 0.10738 285 2S -0.07728 -0.02292 0.01749 -0.07655 0.08351 286 32 H 1S -0.06810 -0.02371 0.06938 -0.06862 -0.05480 287 2S -0.02065 -0.09544 0.00748 -0.16887 0.03622 288 33 H 1S 0.03334 -0.00077 -0.00975 -0.01305 -0.06095 289 2S 0.01488 -0.08468 0.01139 -0.00162 -0.05192 290 34 H 1S -0.12867 -0.07090 -0.04178 -0.00394 0.07218 291 2S 0.20696 0.08369 0.05363 -0.08158 -0.21550 292 35 H 1S -0.14694 -0.21588 -0.03796 0.04604 0.06956 293 2S -0.06237 0.00890 0.04864 0.00947 -0.01989 294 36 H 1S -0.11041 0.05970 -0.02503 -0.06032 0.06745 295 2S 0.02359 -0.05933 -0.07842 0.05367 0.06203 296 37 H 1S 0.02365 0.17899 0.02880 -0.09734 0.01030 297 2S 0.03344 -0.12306 0.04967 0.00104 0.02483 298 38 H 1S -0.16371 -0.10589 -0.00282 0.02287 0.12585 299 2S 0.09398 0.06390 0.03958 -0.04807 -0.02768 300 39 H 1S 0.02647 0.01226 0.01236 0.09343 0.05218 301 2S -0.00935 0.05216 -0.02776 -0.01979 -0.09859 302 40 H 1S -0.11701 0.05601 -0.00835 -0.08089 -0.03547 303 2S 0.04554 0.13899 -0.07748 0.07246 -0.03265 136 137 138 139 140 V V V V V Eigenvalues -- 0.46788 0.47459 0.47639 0.48778 0.51729 1 1 C 1S 0.01141 0.01918 0.00684 -0.02266 -0.00198 2 2S -0.08584 -0.16889 0.05389 0.10009 -0.01576 3 2PX 0.01608 -0.19126 0.17574 -0.01086 -0.12224 4 2PY -0.02611 -0.05795 -0.09738 0.18950 0.01408 5 2PZ 0.05027 0.34152 0.19361 -0.08214 -0.10396 6 3S 0.27105 0.89034 -0.17490 -0.22745 -0.13866 7 3PX -0.05963 0.73490 -0.47783 -0.04105 0.33659 8 3PY 0.04857 0.28266 0.20766 -0.48578 -0.02130 9 3PZ -0.18219 -1.01316 -0.28452 0.16000 0.26886 10 4XX -0.00265 0.01706 0.00069 0.00544 -0.00262 11 4YY -0.00065 -0.00399 0.00085 0.01928 -0.00366 12 4ZZ 0.00695 -0.00095 0.01294 -0.03683 -0.00227 13 4XY -0.01418 -0.02125 -0.00971 -0.01284 0.04056 14 4XZ -0.00321 0.02816 0.01024 -0.02177 -0.01395 15 4YZ -0.00307 0.01394 -0.01551 0.03776 -0.00293 16 2 C 1S -0.00175 -0.01355 -0.01786 0.01383 0.01180 17 2S -0.02662 0.15144 0.16391 -0.15902 -0.11070 18 2PX -0.14761 0.19199 0.10293 -0.30647 -0.06332 19 2PY -0.27529 -0.05750 -0.06696 -0.13981 0.04580 20 2PZ 0.08126 0.17709 0.11380 -0.43569 -0.00938 21 3S -0.14202 -0.46746 -0.50076 0.23201 0.32472 22 3PX 0.27303 -0.44022 -0.17280 0.68603 0.13117 23 3PY 0.49364 0.13400 0.14500 0.35414 -0.17964 24 3PZ -0.09473 -0.31082 -0.16664 0.81686 0.12846 25 4XX 0.00250 0.00597 0.01047 -0.04459 0.01356 26 4YY -0.01453 0.00644 -0.01558 0.00322 -0.00101 27 4ZZ 0.00002 -0.00995 0.00738 0.02954 -0.01247 28 4XY -0.01690 0.02051 -0.01334 -0.00590 -0.00380 29 4XZ -0.01264 -0.01978 -0.02258 0.00118 0.00691 30 4YZ 0.02091 0.01430 0.01075 0.01966 -0.00212 31 3 C 1S -0.01671 -0.00145 0.00673 -0.01745 0.00179 32 2S 0.11838 0.12764 -0.08086 0.12136 -0.02163 33 2PX 0.20535 0.34162 -0.00194 0.06164 -0.11345 34 2PY 0.08561 -0.13377 0.25091 -0.00903 -0.05842 35 2PZ 0.06009 -0.03217 0.10831 0.03532 -0.00932 36 3S -0.48206 -0.35466 -0.08705 -0.40325 -0.02178 37 3PX -0.33580 -0.61226 -0.05981 -0.05815 0.05219 38 3PY -0.05747 0.39241 -0.40632 -0.07842 0.08228 39 3PZ -0.15010 -0.03126 -0.15070 -0.10356 0.00573 40 4XX -0.02004 -0.00940 -0.02102 -0.00046 -0.00590 41 4YY -0.01999 0.03391 0.00421 -0.03053 -0.00507 42 4ZZ 0.02999 -0.00533 0.00318 0.02935 0.00570 43 4XY -0.01849 0.01275 0.01217 -0.01611 -0.00722 44 4XZ 0.00928 -0.00607 -0.01548 0.01208 0.00944 45 4YZ 0.01614 -0.01264 0.03396 0.00577 -0.01150 46 4 C 1S 0.02206 0.00941 -0.00751 0.00376 -0.00387 47 2S -0.23267 -0.01857 0.02598 0.11373 0.01705 48 2PX 0.02380 0.20984 0.01203 0.16092 0.04293 49 2PY 0.10290 0.06844 0.05712 -0.17323 0.03846 50 2PZ -0.28472 0.02373 0.00150 0.13593 -0.01360 51 3S 0.82519 -0.07115 0.11963 -0.49337 -0.14610 52 3PX 0.01474 -0.71205 -0.30226 -0.23894 -0.10466 53 3PY -0.19366 -0.19776 -0.18227 0.46184 0.08717 54 3PZ 0.66424 0.16487 0.25256 -0.42145 -0.04479 55 4XX 0.01657 0.03824 -0.01256 0.01739 -0.00464 56 4YY -0.00834 -0.00057 0.01274 -0.01629 0.00408 57 4ZZ -0.00678 -0.03045 0.00381 0.01379 -0.00329 58 4XY -0.00990 -0.01465 0.00887 0.00076 0.00524 59 4XZ 0.01374 -0.01692 0.02756 -0.01256 0.00002 60 4YZ -0.00693 0.01731 -0.01133 0.00919 0.01026 61 5 C 1S -0.00375 0.00403 -0.01554 0.00553 -0.00907 62 2S 0.01522 0.05480 0.16194 -0.20831 -0.00031 63 2PX -0.08859 -0.11777 -0.25986 -0.03875 0.22632 64 2PY 0.19866 -0.17040 -0.13685 -0.14115 -0.07217 65 2PZ -0.26304 0.08893 0.04293 0.00401 -0.05101 66 3S -0.14571 -0.26999 -0.44573 1.07852 0.35466 67 3PX 0.16523 0.22233 1.48737 -0.02515 -0.47261 68 3PY -0.53836 0.79395 0.32568 0.40580 0.03982 69 3PZ 0.77663 -0.51649 -0.31414 -0.23105 0.05122 70 4XX -0.00548 -0.00078 0.00606 -0.02599 -0.02415 71 4YY 0.00545 -0.01040 -0.01554 0.01753 0.01489 72 4ZZ -0.00783 0.01425 0.00338 0.00063 0.00392 73 4XY 0.01156 0.00796 -0.00925 -0.00215 0.01495 74 4XZ -0.02027 -0.00099 0.00950 0.00995 0.02023 75 4YZ 0.03296 0.01699 -0.00904 -0.01574 0.00846 76 6 C 1S -0.01324 -0.00151 0.01064 0.00444 -0.00644 77 2S 0.05951 0.03333 -0.20248 0.05503 0.00981 78 2PX 0.00394 -0.30259 -0.13728 0.06813 0.04677 79 2PY 0.09347 0.13323 -0.10056 0.10124 0.03371 80 2PZ 0.15514 0.06034 -0.09424 0.00567 -0.01424 81 3S 0.11986 0.37681 1.56776 -0.58782 0.01638 82 3PX 0.17205 1.27481 0.12361 -0.02122 -0.12099 83 3PY -0.48646 -0.42162 0.44567 0.08562 -0.45980 84 3PZ -0.10794 0.16301 0.01576 0.01813 0.05459 85 4XX -0.00793 -0.03391 0.01591 0.02927 -0.04028 86 4YY -0.00224 0.04223 0.03495 -0.02937 0.02002 87 4ZZ 0.01231 0.01271 -0.03724 0.00317 0.00974 88 4XY -0.02106 0.03514 0.02143 0.02243 -0.00950 89 4XZ 0.01323 -0.00614 -0.00909 -0.00358 0.00460 90 4YZ -0.01499 -0.01165 -0.01510 0.01206 -0.01716 91 7 C 1S 0.01253 -0.00011 0.00007 -0.01104 0.00387 92 2S 0.02720 0.14309 0.04393 -0.01499 -0.04045 93 2PX 0.07834 0.09660 -0.10015 0.15890 -0.35227 94 2PY -0.02823 0.25247 0.19275 -0.24313 0.00713 95 2PZ -0.04135 0.21546 0.04006 0.04639 -0.06407 96 3S -0.66739 -0.90276 -0.12764 0.09632 0.23669 97 3PX -0.19028 -0.22104 0.08991 -0.27751 1.21610 98 3PY -0.44104 -0.70578 -0.43727 0.68289 -0.09415 99 3PZ 0.40160 -0.06656 -0.24962 -0.14753 0.33160 100 4XX -0.03075 0.00227 0.00851 0.00092 0.02983 101 4YY 0.01788 -0.01194 -0.00815 -0.00912 -0.01382 102 4ZZ 0.00723 0.01280 -0.00607 -0.00272 -0.00539 103 4XY 0.00620 0.01559 0.00972 -0.00093 -0.02595 104 4XZ 0.00475 -0.00193 0.01595 -0.00189 0.02498 105 4YZ 0.01598 0.01086 -0.00495 0.01665 0.01962 106 8 C 1S -0.00107 0.00445 -0.00600 0.01697 -0.03412 107 2S -0.13650 -0.08900 -0.02969 -0.03897 0.26386 108 2PX 0.05866 0.13830 -0.12071 0.02366 -0.03844 109 2PY -0.26245 0.08867 -0.23157 0.07557 0.29283 110 2PZ 0.06871 0.04792 -0.03738 0.04976 -0.18877 111 3S 0.70339 0.44616 0.05977 0.09244 -1.01612 112 3PX -0.01890 -0.11453 0.03930 -0.16532 0.60764 113 3PY 0.84707 0.02661 0.56165 -0.25833 -0.74591 114 3PZ -0.45982 -0.14145 0.13471 0.01431 0.44792 115 4XX 0.00195 0.00545 -0.01470 0.01321 -0.02775 116 4YY -0.00135 -0.02402 0.02071 0.00612 0.00165 117 4ZZ -0.00927 0.01899 -0.01931 -0.00590 0.01231 118 4XY 0.00531 -0.02267 -0.01259 -0.00473 -0.01933 119 4XZ -0.01962 -0.00301 0.00286 0.00330 0.00409 120 4YZ 0.02182 -0.02206 0.00889 -0.02271 0.00438 121 9 C 1S 0.01261 0.00259 -0.01472 -0.01104 0.02462 122 2S -0.06723 -0.03139 0.07909 0.06924 -0.13004 123 2PX -0.04838 0.06701 -0.13799 -0.15919 0.11647 124 2PY -0.16212 0.05858 0.09726 0.04225 0.31366 125 2PZ 0.08477 0.15464 -0.25353 0.00306 -0.22596 126 3S 0.10526 -0.27304 -0.19345 -0.14815 0.52869 127 3PX 0.57453 -0.03745 0.42731 0.18701 -0.42982 128 3PY 0.50750 0.11165 -0.22814 -0.21115 -0.37928 129 3PZ -0.40184 -0.24403 0.25674 0.07455 0.00469 130 4XX 0.01443 -0.01303 0.01811 0.01906 0.03829 131 4YY -0.00878 0.00968 -0.02247 -0.00835 0.00176 132 4ZZ -0.00203 -0.01288 -0.00076 -0.01207 -0.01979 133 4XY -0.04928 0.01619 -0.01416 0.02599 -0.00484 134 4XZ -0.00624 0.00758 0.01123 -0.00201 -0.02007 135 4YZ 0.01542 0.03978 -0.00280 0.02232 0.00500 136 10 C 1S 0.00508 0.00602 0.03278 0.01401 0.02440 137 2S -0.00381 -0.06001 -0.00968 -0.13034 -0.15265 138 2PX -0.06193 -0.03838 0.03779 -0.10338 0.08038 139 2PY -0.07795 0.07262 0.12202 0.24090 -0.20327 140 2PZ 0.18560 -0.08149 0.08088 0.01064 -0.02034 141 3S 0.05474 0.07882 -0.63730 0.32808 0.58397 142 3PX 0.10265 0.07151 0.34685 0.29694 0.12054 143 3PY 0.42240 -0.19981 -0.45334 -0.34566 0.52224 144 3PZ -0.40457 0.25573 -0.01759 0.19595 0.07402 145 4XX 0.01437 -0.00216 -0.02336 -0.01137 0.01237 146 4YY 0.00441 0.01009 0.02306 0.01750 0.00557 147 4ZZ -0.00590 -0.01526 0.01891 -0.01603 -0.00718 148 4XY 0.04161 0.04294 0.01392 0.03851 0.03511 149 4XZ -0.01535 -0.01387 0.02262 0.00082 -0.00612 150 4YZ -0.00528 0.01600 -0.03995 -0.01068 -0.01424 151 11 C 1S -0.01355 -0.00436 0.00308 0.00049 -0.00801 152 2S 0.14845 0.10182 -0.03879 0.04814 0.19137 153 2PX -0.11043 -0.04018 -0.08074 -0.12735 -0.21008 154 2PY -0.11681 -0.24278 -0.16554 -0.26589 -0.33274 155 2PZ 0.10002 -0.06375 -0.00539 -0.07939 0.18660 156 3S -0.65366 -0.06247 0.43273 0.13413 -0.50489 157 3PX 0.17863 0.06642 0.11445 0.22607 0.30241 158 3PY 0.50979 0.39566 0.09860 0.54320 0.61482 159 3PZ -0.18737 0.11245 -0.07969 0.03999 -0.27680 160 4XX -0.03056 0.00627 0.04570 0.02556 0.01961 161 4YY 0.00504 0.01007 -0.00943 0.01071 0.00308 162 4ZZ 0.02060 0.00102 -0.02498 -0.01726 -0.00577 163 4XY 0.01468 0.00594 -0.01689 -0.01253 -0.00668 164 4XZ 0.02769 -0.03083 -0.00718 -0.02570 -0.02141 165 4YZ -0.02261 -0.00495 -0.00765 -0.01853 0.02828 166 12 H 1S 0.03909 -0.08615 -0.01984 -0.03663 -0.12900 167 2S -0.19970 0.03169 -0.05702 -0.08893 0.02217 168 13 H 1S -0.06940 -0.08012 -0.11299 -0.14742 -0.03469 169 2S -0.12010 -0.03948 0.11674 -0.00424 -0.05909 170 14 C 1S -0.00039 0.00522 -0.00297 0.00154 -0.01911 171 2S -0.11652 -0.01318 0.10795 0.03007 0.14909 172 2PX 0.21145 0.07146 -0.19451 -0.05027 -0.07796 173 2PY -0.08836 -0.01064 -0.07880 0.02107 -0.01385 174 2PZ -0.29232 0.17301 -0.04367 0.06781 0.04504 175 3S 0.20984 0.29378 -0.54313 -0.07672 -0.27291 176 3PX -0.46997 -0.09446 0.49242 0.21491 -0.04857 177 3PY 0.00857 -0.08281 0.15854 -0.09781 0.00889 178 3PZ 0.59355 -0.29821 -0.12470 -0.23641 0.05399 179 4XX -0.00871 0.01103 -0.00075 0.00664 0.01182 180 4YY -0.00948 -0.00001 -0.01775 0.00254 -0.00060 181 4ZZ -0.00175 0.00364 0.02031 -0.00172 -0.00622 182 4XY 0.01690 -0.03371 -0.00516 -0.00882 -0.02111 183 4XZ 0.01444 -0.00081 -0.00598 -0.01817 0.01209 184 4YZ 0.02631 -0.02195 0.04163 0.00177 0.03247 185 15 H 1S 0.01410 -0.09515 -0.12265 -0.02538 -0.14889 186 2S 0.13805 0.02240 -0.05483 -0.05225 0.10809 187 16 H 1S 0.15651 -0.06503 0.09684 -0.04684 0.01989 188 2S 0.00618 -0.04582 -0.05700 -0.05615 -0.01681 189 17 C 1S 0.00336 0.00408 -0.00751 0.00179 -0.00372 190 2S -0.01390 0.01353 -0.03584 -0.09057 0.03386 191 2PX -0.01302 -0.12496 0.18133 0.24579 -0.01357 192 2PY -0.06997 0.07069 -0.11651 0.15088 -0.05736 193 2PZ -0.00293 -0.13713 0.10455 0.00375 0.18437 194 3S 0.09014 0.12325 0.25701 0.14832 0.00005 195 3PX 0.07711 0.23435 -0.64641 -0.55022 -0.17807 196 3PY 0.14670 -0.15258 0.17083 -0.24122 0.10861 197 3PZ 0.03680 0.29673 -0.19279 0.02129 -0.39614 198 4XX 0.01547 0.00036 -0.01231 -0.01525 -0.03888 199 4YY 0.00955 0.00047 0.00902 -0.01036 0.02359 200 4ZZ -0.02074 0.01047 -0.00032 0.01276 0.01893 201 4XY 0.01756 0.00785 -0.01026 -0.00864 0.03855 202 4XZ -0.02092 0.01215 -0.02978 -0.00591 0.01992 203 4YZ 0.00176 -0.02883 0.00210 0.01008 -0.00966 204 18 C 1S 0.00364 -0.00505 0.00834 -0.00923 -0.00932 205 2S 0.07884 0.03451 0.03379 0.04403 0.17581 206 2PX -0.09231 0.03153 -0.01150 0.00110 -0.20907 207 2PY 0.31433 0.04547 -0.02424 -0.09315 0.25419 208 2PZ 0.09357 -0.00601 -0.18650 -0.08870 0.04759 209 3S -0.24092 -0.01021 -0.46307 -0.37696 -0.09935 210 3PX 0.25980 -0.21396 0.19746 0.04345 0.37157 211 3PY -0.82262 -0.03534 -0.19104 0.04791 -0.35217 212 3PZ -0.23533 0.04076 0.29124 0.17892 0.12788 213 4XX 0.00986 0.01227 -0.00178 -0.01189 0.01848 214 4YY 0.02008 -0.00371 0.00020 -0.01877 0.01247 215 4ZZ -0.01668 -0.00532 0.00172 0.01653 -0.00569 216 4XY 0.00133 0.00710 0.00909 -0.02043 0.01587 217 4XZ -0.01318 0.01365 -0.00096 0.03185 -0.03195 218 4YZ -0.02028 -0.00047 0.03605 0.01691 0.00536 219 19 H 1S -0.14445 -0.01350 0.11908 0.03951 -0.06645 220 2S -0.14543 -0.03501 0.00205 -0.01736 0.06606 221 20 H 1S -0.01323 0.00718 -0.09941 0.03509 -0.14272 222 2S -0.10974 0.02282 -0.02781 -0.09237 -0.11440 223 21 H 1S -0.05059 -0.02695 -0.04964 0.05933 0.12358 224 2S -0.03391 -0.04079 0.06711 0.03767 0.06659 225 22 H 1S 0.03016 -0.08345 0.08458 0.05205 -0.18538 226 2S -0.04012 0.01061 0.11639 0.10545 0.19299 227 23 H 1S 0.00836 0.04799 0.11140 0.10103 0.08633 228 2S 0.13448 0.07132 0.29279 0.19282 0.20584 229 24 H 1S 0.01552 0.13467 -0.09583 0.02346 0.07199 230 2S 0.04661 -0.08728 -0.01326 -0.00163 0.23595 231 25 H 1S 0.08914 -0.07177 0.07960 0.03232 -0.13849 232 2S 0.08277 -0.04257 0.11575 0.02372 -0.30922 233 26 H 1S 0.05100 0.11739 -0.08469 0.00032 -0.11885 234 2S 0.19856 -0.00233 -0.02732 0.00790 -0.25748 235 27 H 1S -0.02343 0.00400 0.07294 -0.07696 -0.18076 236 2S -0.19417 -0.10207 0.04899 0.14426 0.32664 237 28 Br 1S -0.00080 -0.00203 -0.00251 0.00050 -0.00056 238 2S 0.00513 0.01453 0.01591 -0.00357 0.00228 239 3S -0.00606 -0.02002 -0.01788 0.00512 0.00011 240 4S -0.01123 -0.02793 -0.03766 0.00609 -0.00992 241 5S 0.06925 0.27236 0.30566 -0.09403 -0.08682 242 6S -0.07776 -0.55235 -0.58799 0.18145 0.31856 243 7PX 0.02044 0.00669 0.00613 0.02235 -0.00395 244 7PY 0.00908 0.00099 0.01818 -0.00479 0.01285 245 7PZ -0.01228 -0.00761 -0.00553 -0.01369 -0.00471 246 8PX -0.06612 -0.02160 -0.01989 -0.07227 0.01284 247 8PY -0.02931 -0.00319 -0.05887 0.01557 -0.04157 248 8PZ 0.03960 0.02464 0.01782 0.04445 0.01517 249 9PX 0.22746 0.07453 0.07550 0.24986 -0.04498 250 9PY 0.10209 0.00950 0.21051 -0.05679 0.14530 251 9PZ -0.13489 -0.08474 -0.05450 -0.16338 -0.05587 252 10PX -0.18173 -0.10641 -0.14850 -0.24921 0.04087 253 10PY -0.12402 -0.01140 -0.24528 0.04051 -0.13928 254 10PZ 0.19705 0.00331 -0.05891 0.19997 0.23641 255 11XX 0.00996 0.04785 -0.00632 0.03580 -0.01299 256 11YY 0.01217 0.00486 0.01239 -0.02990 0.02279 257 11ZZ -0.01475 -0.02594 0.01621 -0.01245 -0.01142 258 11XY 0.00248 -0.00424 0.02118 0.02489 -0.00536 259 11XZ -0.00996 -0.01587 -0.00788 -0.01848 0.00336 260 11YZ -0.02241 -0.02543 -0.00254 0.00288 -0.00575 261 12XX -0.01174 -0.09138 0.15567 -0.22010 -0.00027 262 12YY -0.04348 0.11350 0.06477 0.10043 -0.17366 263 12ZZ 0.12246 0.24459 0.02265 0.01494 0.05670 264 12XY -0.00285 0.01598 -0.10672 -0.12602 0.02718 265 12XZ 0.06912 0.06896 0.01856 0.09817 -0.02412 266 12YZ 0.10830 0.12581 0.01329 -0.02866 0.03723 267 29 C 1S -0.00702 -0.00036 0.01023 -0.00964 -0.00968 268 2S 0.07716 0.01293 0.03426 0.12406 0.03551 269 2PX -0.02777 -0.07052 0.32193 0.05731 -0.01117 270 2PY -0.26513 0.13457 0.11255 -0.09359 -0.07024 271 2PZ 0.07257 -0.21980 0.02976 -0.09593 -0.03036 272 3S -0.21153 0.03762 -0.19610 -0.30518 0.05475 273 3PX 0.03712 0.10525 -0.81264 -0.10417 0.03292 274 3PY 0.49780 -0.29120 -0.24405 0.16099 0.16513 275 3PZ -0.06398 0.40491 0.02847 0.16166 0.15485 276 4XX -0.01628 0.00630 -0.00926 -0.00778 -0.00127 277 4YY 0.00134 -0.00699 0.02715 0.00218 -0.00388 278 4ZZ 0.02154 0.00487 0.00029 0.00882 0.00723 279 4XY -0.01724 0.00186 0.03841 -0.00854 -0.01644 280 4XZ 0.02412 -0.01420 -0.03036 -0.00258 -0.00124 281 4YZ -0.01602 0.00813 -0.01351 -0.02128 0.01002 282 30 H 1S -0.05399 0.02554 -0.03921 -0.03589 -0.02808 283 2S 0.02051 0.02421 -0.08997 0.01544 -0.14684 284 31 H 1S 0.05646 -0.02566 -0.01591 0.06833 -0.03794 285 2S -0.03830 -0.14456 0.10622 0.02118 -0.05588 286 32 H 1S -0.10127 -0.02444 0.19095 -0.04495 -0.09902 287 2S 0.01810 0.00175 0.13150 0.00792 0.03375 288 33 H 1S 0.03656 0.07812 -0.03199 0.01236 0.02842 289 2S 0.13603 0.15535 0.06959 0.02573 0.01418 290 34 H 1S 0.06778 0.04666 0.03612 -0.06000 -0.02356 291 2S 0.06592 0.29370 0.11819 -0.06958 -0.04638 292 35 H 1S 0.00727 -0.04047 0.17039 -0.04734 -0.02522 293 2S -0.03550 -0.00412 0.00587 0.04045 0.03552 294 36 H 1S 0.03566 -0.07300 -0.06113 0.06040 0.05465 295 2S -0.05458 -0.20103 0.10986 -0.03062 -0.06454 296 37 H 1S 0.03877 -0.04608 -0.07613 0.21561 0.03097 297 2S 0.06150 -0.06851 0.01481 0.19626 0.02462 298 38 H 1S 0.05453 -0.04679 0.02983 0.00981 0.08544 299 2S -0.01785 -0.10101 -0.10182 0.20423 0.00287 300 39 H 1S 0.05149 0.17029 -0.00744 -0.08599 -0.00529 301 2S 0.08949 0.22985 -0.00478 0.00062 -0.04982 302 40 H 1S 0.02380 0.06070 0.02113 -0.04969 0.09530 303 2S 0.01306 0.40529 0.08994 -0.25085 -0.00859 141 142 143 144 145 V V V V V Eigenvalues -- 0.52461 0.52593 0.53138 0.53934 0.54731 1 1 C 1S -0.02551 -0.01055 0.02256 -0.00139 -0.00089 2 2S 0.24329 0.08846 -0.17074 -0.06437 0.01014 3 2PX 0.26158 -0.04794 0.00646 0.19003 -0.02562 4 2PY 0.07819 -0.01086 0.03721 -0.25791 -0.07177 5 2PZ -0.12406 -0.13594 0.10307 0.12692 -0.05152 6 3S -0.82783 -0.22295 0.75395 0.08286 -0.09287 7 3PX -0.64574 0.13154 0.00725 -0.51205 0.23113 8 3PY -0.22963 0.14534 -0.02687 0.64957 0.21798 9 3PZ 0.58672 0.13501 -0.51575 -0.29209 0.12501 10 4XX 0.00418 0.00277 0.01465 -0.01241 -0.01338 11 4YY -0.01736 -0.00010 -0.01556 0.01130 -0.00242 12 4ZZ 0.00673 -0.01060 0.01341 0.00033 0.01533 13 4XY 0.00201 0.01279 -0.02370 0.00130 0.01123 14 4XZ 0.00128 -0.00694 0.01234 0.01596 -0.00755 15 4YZ -0.00076 0.01381 -0.01204 -0.03765 0.00541 16 2 C 1S 0.00340 0.03341 -0.00851 -0.02639 -0.00140 17 2S -0.02816 -0.24431 0.05687 0.21344 -0.00212 18 2PX -0.17802 -0.28502 -0.02938 0.28203 0.07356 19 2PY -0.03154 -0.16516 -0.37535 0.05578 0.20295 20 2PZ -0.08173 0.02827 0.22208 0.01874 0.03273 21 3S 0.26741 0.76644 -0.20807 -0.95634 0.02210 22 3PX 0.62362 0.70448 0.10416 -0.97690 -0.20293 23 3PY -0.05848 0.41539 0.78282 -0.28993 -0.48261 24 3PZ 0.27558 0.00852 -0.48491 -0.35215 -0.05323 25 4XX -0.01462 0.02013 -0.01844 0.00247 0.01684 26 4YY 0.01293 0.01500 0.01153 -0.02940 -0.00400 27 4ZZ 0.01683 -0.01942 0.00197 0.01151 -0.01564 28 4XY -0.00478 0.03928 0.00699 -0.00708 -0.00517 29 4XZ -0.00029 -0.01196 -0.00996 0.02198 0.00960 30 4YZ -0.01056 -0.00826 0.00122 0.02510 -0.00088 31 3 C 1S -0.02090 -0.02899 -0.01769 0.00675 0.00866 32 2S 0.18693 0.24939 0.13598 -0.09851 -0.03885 33 2PX 0.32467 0.02787 -0.01169 0.33272 0.10261 34 2PY -0.17174 -0.51995 0.02533 0.26853 -0.03973 35 2PZ 0.02383 0.05788 0.05941 -0.20167 -0.08211 36 3S -0.55008 -0.88694 -0.50793 0.35795 0.39739 37 3PX -0.75428 -0.16644 0.14550 -0.56881 -0.15487 38 3PY 0.45989 1.35647 0.01538 -0.77548 0.02850 39 3PZ -0.00532 -0.21288 -0.07249 0.40641 0.14795 40 4XX 0.00392 -0.02670 -0.00533 -0.01250 0.00818 41 4YY -0.00053 0.00516 -0.02297 0.00753 0.02181 42 4ZZ -0.00914 0.00602 0.02519 0.00813 -0.01650 43 4XY 0.00609 -0.01960 -0.00972 0.03006 -0.00024 44 4XZ -0.01365 0.02188 0.00571 0.01361 -0.00261 45 4YZ 0.02138 -0.01600 0.02146 -0.02723 -0.01932 46 4 C 1S 0.02099 0.02118 -0.00422 0.01438 0.00551 47 2S -0.06607 -0.19175 0.00541 -0.02638 0.01700 48 2PX 0.10702 0.27973 0.12411 0.05539 -0.03027 49 2PY -0.04466 0.15245 -0.15163 -0.06378 0.07977 50 2PZ -0.09790 -0.23438 0.00576 -0.13705 0.10707 51 3S 0.53853 0.51097 0.02579 0.03501 -0.20649 52 3PX -0.47419 -0.65094 -0.04460 -0.20802 0.14064 53 3PY 0.07174 -0.41605 0.31901 0.20621 -0.10085 54 3PZ 0.40875 0.71818 -0.20465 0.39965 -0.25564 55 4XX 0.05118 0.00749 0.00451 -0.00545 0.01113 56 4YY -0.02429 0.00948 -0.01994 0.01009 -0.00030 57 4ZZ 0.00737 -0.01399 0.01153 -0.00167 -0.01126 58 4XY -0.02258 0.00438 -0.02039 -0.01790 0.00890 59 4XZ -0.00021 -0.01184 0.01155 -0.00475 -0.01638 60 4YZ 0.00081 0.01058 0.00180 0.01247 0.00158 61 5 C 1S 0.00382 -0.01375 0.01083 0.00330 0.00795 62 2S 0.14820 0.10229 -0.08168 -0.15749 -0.00867 63 2PX -0.34731 -0.07588 0.09145 -0.00304 0.08830 64 2PY 0.07033 0.07053 0.20056 0.08668 0.06554 65 2PZ 0.08049 -0.04978 -0.02955 -0.18083 0.09112 66 3S -0.49340 -0.33089 0.28664 1.18091 0.11632 67 3PX 0.99509 0.30964 -0.83212 0.28157 -0.82219 68 3PY -0.11098 -0.10630 -0.45743 -0.44450 -0.02261 69 3PZ -0.39088 -0.01185 0.09490 0.20683 -0.02878 70 4XX 0.01334 0.00177 -0.01230 -0.00286 0.01086 71 4YY 0.01437 -0.01675 0.00820 0.01207 0.00169 72 4ZZ -0.01038 0.00083 0.01158 -0.00020 -0.00739 73 4XY -0.02414 0.01149 -0.00551 0.00286 0.01264 74 4XZ -0.01843 -0.01792 0.00335 -0.00570 -0.01039 75 4YZ -0.01842 0.02068 -0.02877 0.03378 -0.00584 76 6 C 1S 0.02324 0.00017 -0.00478 -0.00233 -0.00766 77 2S -0.16178 0.00140 0.10868 0.04228 0.13145 78 2PX 0.07605 0.03022 -0.16912 0.16218 0.14700 79 2PY -0.12661 -0.12517 0.28014 0.00483 0.03569 80 2PZ -0.22049 -0.03388 -0.00809 -0.10059 0.07050 81 3S 0.78785 0.46889 -0.79402 -0.40703 -0.22641 82 3PX -0.55710 0.13599 0.28955 -0.89188 -0.19288 83 3PY 0.66649 -0.14999 -0.72461 0.05776 -0.57520 84 3PZ 0.11844 0.11330 0.31067 0.18456 -0.07097 85 4XX 0.02489 -0.00217 -0.00229 0.00622 -0.01126 86 4YY 0.02631 0.01766 -0.01094 -0.02532 0.01183 87 4ZZ -0.03414 0.00073 0.00986 0.00773 0.00129 88 4XY 0.00635 -0.01230 -0.01022 -0.00985 -0.00479 89 4XZ -0.01194 0.01582 0.01134 -0.03106 0.00963 90 4YZ 0.00495 -0.01737 0.01413 0.01759 -0.01179 91 7 C 1S -0.01584 0.01751 -0.00348 0.00182 0.01082 92 2S -0.00440 -0.00108 -0.07425 -0.09944 -0.00515 93 2PX -0.26735 0.03770 -0.16602 -0.17915 -0.12040 94 2PY -0.03039 0.08075 -0.01954 -0.23088 -0.01653 95 2PZ -0.01603 0.03609 -0.02626 -0.27166 -0.07342 96 3S 0.82823 -0.27644 -0.18240 0.69891 -0.06339 97 3PX 0.79819 -0.13422 0.31649 0.62537 0.46315 98 3PY 0.39237 -0.58770 0.02978 0.73730 -0.17891 99 3PZ -0.33642 0.02687 0.04237 0.28588 0.30808 100 4XX 0.02279 -0.00119 0.00973 0.01486 0.01146 101 4YY -0.01152 0.01552 -0.01679 -0.00852 -0.00117 102 4ZZ -0.00647 -0.00932 -0.00604 0.00539 -0.00217 103 4XY 0.00690 -0.01434 0.04127 0.00821 -0.03604 104 4XZ 0.01359 0.00517 -0.00589 0.01805 0.02670 105 4YZ -0.01999 -0.00153 0.01043 -0.01092 0.01003 106 8 C 1S -0.01348 -0.00074 -0.00744 -0.00239 -0.00687 107 2S 0.15712 -0.05217 -0.00994 0.07258 0.03880 108 2PX -0.00771 -0.14594 0.04244 -0.23463 -0.23849 109 2PY 0.30119 -0.24638 0.14960 0.03852 -0.08636 110 2PZ -0.17702 0.03428 -0.06845 -0.04957 0.07054 111 3S -0.69298 0.18064 -0.42514 -0.39654 -0.18894 112 3PX 0.35795 0.17098 -0.12616 0.60294 0.53635 113 3PY -0.96025 0.68007 -0.69271 -0.46380 0.34224 114 3PZ 0.65269 -0.22677 0.37413 0.20124 -0.27482 115 4XX -0.01398 0.00740 -0.02370 -0.00818 0.00958 116 4YY -0.00775 0.00270 0.00831 0.02158 0.00658 117 4ZZ 0.01372 -0.01322 -0.00954 -0.00860 -0.01781 118 4XY -0.00699 0.01500 -0.03013 -0.00233 0.02145 119 4XZ -0.00476 0.00203 0.00120 -0.02115 -0.01143 120 4YZ -0.03033 0.02640 -0.00512 -0.00929 0.01939 121 9 C 1S 0.01181 -0.01397 -0.02412 -0.00148 -0.03062 122 2S -0.24080 0.21490 0.05511 0.05749 0.23844 123 2PX 0.18154 -0.00064 0.35666 0.05199 -0.05953 124 2PY -0.04651 -0.00608 0.04627 -0.09011 0.07291 125 2PZ 0.01790 -0.13810 -0.20014 0.02427 -0.18474 126 3S 0.84011 -0.92894 0.06417 -0.22357 -1.00928 127 3PX -0.67215 0.08951 -1.04350 -0.40742 0.20726 128 3PY 0.12655 0.05992 -0.24285 0.22627 0.12101 129 3PZ -0.25987 0.40728 0.31836 -0.01317 0.50981 130 4XX -0.00079 -0.01274 -0.02583 0.01378 -0.00516 131 4YY 0.00927 -0.00180 0.00829 0.00129 -0.02137 132 4ZZ -0.02153 0.01602 -0.00251 -0.00468 0.00624 133 4XY 0.03536 -0.01697 0.04353 0.00957 0.01431 134 4XZ 0.00730 -0.00416 0.02893 -0.00695 0.01229 135 4YZ 0.00392 -0.00120 -0.02238 0.01033 -0.00879 136 10 C 1S -0.01270 -0.00285 0.00426 -0.00517 0.01797 137 2S 0.16996 -0.04675 -0.05293 0.05637 -0.27002 138 2PX -0.20674 -0.12203 -0.00018 -0.11801 -0.30130 139 2PY 0.01931 0.01951 0.07557 0.09321 -0.08920 140 2PZ 0.08419 -0.11754 -0.02713 -0.06902 -0.09666 141 3S -0.98339 0.23738 0.35567 -0.48466 1.39523 142 3PX 0.21908 0.26841 -0.15855 0.44198 0.32396 143 3PY -0.10992 -0.06687 0.43171 -0.18404 0.16005 144 3PZ -0.36032 0.11522 -0.09752 -0.14230 0.20093 145 4XX 0.00446 -0.01576 0.01425 -0.01307 0.02725 146 4YY -0.00484 0.00150 0.00907 0.00370 0.00485 147 4ZZ -0.00746 0.01009 -0.01767 -0.00629 -0.01129 148 4XY 0.02441 -0.02380 0.00088 0.00270 0.00553 149 4XZ -0.01581 0.02345 0.00760 0.00309 0.00106 150 4YZ 0.00850 0.00054 -0.00914 0.01632 -0.03334 151 11 C 1S -0.01575 0.01777 -0.00166 0.01064 -0.03757 152 2S 0.05140 -0.09539 -0.02431 -0.02806 0.24721 153 2PX 0.05173 -0.12842 -0.20856 -0.14779 -0.01443 154 2PY -0.07013 0.14156 0.06216 0.08908 -0.34169 155 2PZ -0.01003 0.01955 0.04944 -0.06274 -0.02740 156 3S -0.21688 0.11001 0.01098 0.06870 -0.77704 157 3PX -0.16825 0.32530 0.54819 0.17640 -0.05068 158 3PY 0.12436 -0.38262 -0.16318 -0.10136 0.95716 159 3PZ 0.09555 0.11485 -0.00984 0.22062 0.06812 160 4XX -0.02597 0.00460 0.00605 0.00340 -0.03329 161 4YY 0.00022 -0.00787 -0.00782 0.00892 0.00967 162 4ZZ 0.01065 0.00875 -0.00569 0.00416 0.00299 163 4XY 0.03059 -0.03831 0.00478 -0.01704 0.00832 164 4XZ 0.01752 -0.00413 -0.00202 -0.01347 0.03555 165 4YZ -0.00188 0.00430 0.00439 0.00264 -0.01819 166 12 H 1S -0.03981 0.10976 0.01612 0.01699 -0.03674 167 2S -0.01303 0.25226 0.20753 0.09296 -0.25798 168 13 H 1S 0.01557 0.04689 0.01475 0.03228 -0.16305 169 2S -0.08830 0.03271 -0.06501 -0.02947 -0.30581 170 14 C 1S 0.01012 -0.01721 -0.00765 -0.01480 0.02301 171 2S -0.11649 0.16575 0.07117 0.13459 -0.18578 172 2PX 0.27739 -0.11993 -0.09886 -0.01969 0.35872 173 2PY -0.08486 -0.00208 0.04824 -0.03744 -0.14303 174 2PZ -0.15593 0.30639 -0.06211 0.31399 -0.25556 175 3S 0.24553 -0.48736 -0.40480 -0.30497 0.47598 176 3PX -0.51588 0.24634 0.16400 0.00308 -0.69387 177 3PY 0.11103 0.11177 -0.05433 0.16193 0.21450 178 3PZ 0.29156 -0.78402 0.02148 -0.76475 0.64234 179 4XX 0.00358 0.00363 -0.02134 0.01109 0.00352 180 4YY -0.00215 -0.00484 0.01176 -0.00477 0.00327 181 4ZZ -0.00754 0.00073 0.00686 -0.00583 -0.00062 182 4XY 0.00431 0.02686 0.02227 0.01409 0.00090 183 4XZ 0.00705 -0.01816 0.00571 -0.01128 -0.00926 184 4YZ -0.00387 -0.00806 0.00655 -0.01131 0.00791 185 15 H 1S 0.03698 0.00797 -0.03011 -0.00579 0.08676 186 2S 0.07664 -0.24575 -0.08976 -0.15945 0.11303 187 16 H 1S 0.03657 -0.13221 0.03114 -0.13471 0.13394 188 2S 0.05674 -0.17086 -0.01383 -0.16859 0.18148 189 17 C 1S -0.00182 0.01565 -0.01290 0.01985 0.00409 190 2S 0.03486 -0.13110 0.10935 -0.15563 -0.05048 191 2PX -0.14081 0.12253 -0.20195 0.16755 0.04131 192 2PY -0.04928 -0.11348 -0.22768 -0.01263 0.20115 193 2PZ -0.04690 0.11936 0.19333 0.05148 -0.07572 194 3S -0.01673 0.37874 -0.41631 0.56922 0.01030 195 3PX 0.30355 -0.22217 0.43828 -0.36974 -0.03906 196 3PY 0.10760 0.27201 0.33079 0.11406 -0.41869 197 3PZ 0.03971 -0.22501 -0.40298 -0.14168 -0.01443 198 4XX 0.01073 -0.00178 -0.00949 -0.00019 -0.00830 199 4YY 0.00060 0.00473 0.00141 0.00955 -0.00241 200 4ZZ -0.00847 -0.00100 0.00012 -0.00068 -0.00265 201 4XY 0.00192 -0.01164 -0.01847 -0.00053 -0.00190 202 4XZ 0.00162 0.01637 0.00865 0.01564 -0.01356 203 4YZ -0.01067 -0.01122 0.01200 -0.02544 0.00895 204 18 C 1S 0.00807 0.00109 0.03074 -0.00622 0.00468 205 2S -0.03885 -0.04729 -0.25956 0.00852 -0.06145 206 2PX 0.05861 0.16567 0.23261 0.18594 0.28009 207 2PY -0.01019 -0.03189 -0.41541 0.10450 -0.20128 208 2PZ 0.03647 -0.03015 -0.11844 -0.03081 -0.18619 209 3S 0.27906 0.23386 0.81794 0.17007 0.02612 210 3PX -0.03733 -0.27461 -0.38451 -0.29072 -0.48951 211 3PY 0.01112 0.15337 1.15554 -0.17893 0.35512 212 3PZ 0.11079 -0.05862 0.30692 0.15963 0.34083 213 4XX 0.00330 0.01569 0.01145 0.01417 -0.01583 214 4YY 0.01662 -0.01395 -0.00551 -0.01279 -0.00682 215 4ZZ -0.01085 -0.00145 -0.00057 -0.00446 0.02179 216 4XY 0.00243 -0.01376 0.01398 -0.01952 -0.02298 217 4XZ -0.00018 -0.00803 -0.01769 -0.00373 0.00534 218 4YZ -0.02173 0.00369 0.00243 0.00320 0.01596 219 19 H 1S -0.03631 -0.00462 0.16226 -0.05035 0.09301 220 2S 0.10617 -0.01362 0.33573 -0.00337 0.08366 221 20 H 1S 0.02921 0.01754 0.09202 -0.01951 -0.00599 222 2S -0.14355 0.11456 0.24604 -0.07750 -0.03630 223 21 H 1S -0.05854 0.05855 -0.04097 0.05907 -0.00094 224 2S -0.02988 0.02620 0.00677 0.06877 0.09542 225 22 H 1S 0.01717 0.00534 0.03117 -0.00782 0.14214 226 2S -0.02536 0.04850 -0.07919 0.11436 0.00139 227 23 H 1S -0.07425 0.03654 -0.03295 0.03418 -0.04211 228 2S -0.06644 -0.02941 0.03616 -0.05769 0.06224 229 24 H 1S 0.14817 -0.13220 -0.03246 0.00091 -0.19169 230 2S 0.06702 -0.12057 0.01539 0.03766 -0.27095 231 25 H 1S -0.16574 0.04378 0.00526 0.00573 0.03327 232 2S -0.21342 0.13419 -0.24035 -0.26651 0.01078 233 26 H 1S -0.03992 -0.02178 -0.10324 -0.10456 -0.12356 234 2S -0.33987 0.15158 -0.18427 -0.09293 0.19502 235 27 H 1S -0.02971 0.04052 -0.01730 0.02347 -0.06437 236 2S 0.33605 -0.17276 0.00699 0.25483 0.14339 237 28 Br 1S -0.00075 -0.00328 0.00276 0.00225 -0.00091 238 2S 0.00412 0.02090 -0.01761 -0.01705 0.00571 239 3S -0.00315 -0.02343 0.01990 0.02488 -0.00647 240 4S -0.01275 -0.05065 0.04238 0.03143 -0.01318 241 5S 0.01269 0.26429 -0.22053 -0.43867 0.07358 242 6S 0.02462 -0.42797 0.34868 0.98380 -0.07443 243 7PX 0.00124 -0.01180 0.00124 0.00882 -0.00848 244 7PY 0.00317 0.02111 -0.01630 -0.00208 0.00810 245 7PZ 0.00728 0.00321 -0.00417 0.00249 0.00194 246 8PX -0.00405 0.03827 -0.00401 -0.02856 0.02748 247 8PY -0.01030 -0.06833 0.05282 0.00678 -0.02629 248 8PZ -0.02363 -0.01039 0.01351 -0.00815 -0.00645 249 9PX 0.02028 -0.13787 0.01467 0.09836 -0.09880 250 9PY 0.03696 0.23877 -0.18827 -0.02866 0.09800 251 9PZ 0.08554 0.03860 -0.04888 0.02372 0.02836 252 10PX -0.10225 0.15405 -0.02372 -0.05547 0.13409 253 10PY -0.01630 -0.23715 0.20407 0.09240 -0.13938 254 10PZ -0.08900 -0.10392 0.08585 0.20681 0.02634 255 11XX -0.01811 -0.01532 0.00293 -0.02146 -0.00968 256 11YY -0.00359 0.03117 -0.02223 -0.02009 0.01740 257 11ZZ 0.02521 0.01390 -0.00602 0.00703 0.00008 258 11XY 0.00572 -0.01701 0.01401 0.02005 -0.01191 259 11XZ 0.03254 -0.00408 -0.00617 0.00409 -0.00913 260 11YZ 0.01122 -0.01040 -0.00101 0.02307 0.00493 261 12XX 0.07431 0.18749 -0.11189 -0.11960 0.07751 262 12YY 0.02416 -0.03774 0.01629 -0.11324 -0.06743 263 12ZZ -0.12373 0.02286 -0.05407 -0.19577 0.05468 264 12XY -0.03553 0.08707 -0.07250 -0.09289 0.06355 265 12XZ -0.18887 0.01838 0.02684 -0.00737 0.05058 266 12YZ -0.04986 0.06009 -0.00079 -0.10398 -0.02692 267 29 C 1S 0.01886 0.00052 0.00273 -0.02454 0.01123 268 2S -0.10953 -0.02871 -0.02765 0.08712 -0.01262 269 2PX 0.24540 0.00197 -0.10064 -0.06511 -0.23399 270 2PY 0.15342 0.07082 -0.11789 -0.10528 0.08820 271 2PZ 0.04805 -0.00328 0.12834 -0.18250 0.03106 272 3S 0.09109 0.10564 0.07630 0.14681 -0.08450 273 3PX -0.51707 0.01526 0.28216 0.06888 0.59003 274 3PY -0.44411 -0.17388 0.20507 0.34893 -0.33125 275 3PZ -0.16866 0.12031 -0.41745 0.52264 -0.12395 276 4XX -0.00747 0.00762 -0.01183 -0.00435 0.04522 277 4YY 0.01096 -0.00342 0.01802 -0.00681 -0.02719 278 4ZZ -0.00295 -0.00216 -0.00824 0.00930 -0.01017 279 4XY 0.03265 0.00087 -0.03804 0.00037 -0.03214 280 4XZ -0.01443 -0.00030 0.02601 0.01791 -0.00848 281 4YZ -0.01707 0.01732 -0.00384 0.00749 0.02602 282 30 H 1S 0.01834 0.01161 0.05515 -0.13355 0.23002 283 2S 0.12404 0.02144 0.08681 -0.20817 0.17030 284 31 H 1S 0.02436 -0.09208 0.09756 -0.11013 -0.01706 285 2S 0.00332 -0.11435 0.03824 -0.21555 -0.00795 286 32 H 1S 0.17548 -0.01625 -0.07293 -0.13488 -0.01272 287 2S 0.13846 0.07330 0.00095 -0.06919 0.04482 288 33 H 1S 0.04976 0.15884 -0.05635 0.12821 0.03230 289 2S 0.16605 0.18941 -0.10309 0.23686 -0.06227 290 34 H 1S -0.02628 0.08700 -0.09437 0.10846 0.06413 291 2S 0.13601 0.22005 -0.02917 0.16715 0.01354 292 35 H 1S -0.05554 -0.18718 -0.00375 -0.01108 -0.00179 293 2S -0.20908 -0.23954 -0.03134 0.15548 0.01230 294 36 H 1S -0.12569 -0.00177 -0.08199 0.09509 0.02519 295 2S -0.01046 -0.36015 -0.01750 0.07879 -0.03869 296 37 H 1S 0.06432 0.12456 -0.02015 -0.09509 -0.03252 297 2S 0.07814 0.19252 0.00216 -0.27956 -0.09855 298 38 H 1S -0.06691 0.07417 -0.02780 -0.18596 0.00441 299 2S 0.17725 0.11062 0.09747 -0.31193 -0.06548 300 39 H 1S -0.16109 0.02079 0.08022 -0.10783 0.09060 301 2S -0.22149 -0.10144 0.21919 0.02481 -0.09217 302 40 H 1S -0.07402 0.08149 0.02497 -0.02480 -0.01813 303 2S -0.10944 0.18816 0.03232 0.03413 0.14158 146 147 148 149 150 V V V V V Eigenvalues -- 0.56078 0.57013 0.58514 0.58649 0.59193 1 1 C 1S -0.00982 -0.00009 0.01797 0.01040 0.00412 2 2S 0.00881 0.02097 -0.08727 -0.02961 0.00711 3 2PX -0.04497 0.15240 -0.06930 -0.09977 -0.29051 4 2PY 0.01121 -0.10585 0.03395 0.00279 0.21535 5 2PZ -0.16004 0.01659 -0.07056 0.18091 -0.03681 6 3S 0.14408 0.29253 0.63070 0.01544 0.02653 7 3PX 0.15016 -0.28602 0.29792 0.36570 1.20419 8 3PY -0.18564 0.40572 -0.22257 0.19143 -0.61427 9 3PZ 0.50384 -0.12226 0.24707 -0.84618 -0.03296 10 4XX 0.01063 0.00704 0.02206 0.00314 0.01042 11 4YY 0.00354 -0.00011 -0.01203 0.01551 0.01450 12 4ZZ -0.02108 0.00533 0.00484 -0.01152 -0.02090 13 4XY 0.00840 -0.00682 0.00917 0.00798 0.00445 14 4XZ -0.02143 0.02650 -0.01388 0.01136 -0.01376 15 4YZ -0.02515 -0.03131 -0.02847 0.02906 0.03010 16 2 C 1S 0.00636 -0.00751 0.00816 0.00684 0.00344 17 2S -0.02041 0.07567 0.00112 -0.00793 0.03925 18 2PX 0.02921 0.01976 -0.03320 -0.00567 0.11092 19 2PY 0.15253 -0.21511 -0.18421 -0.21994 0.22773 20 2PZ -0.11936 0.13508 0.20567 -0.05367 -0.32167 21 3S 0.18056 -0.14184 0.43483 -0.15655 -0.09153 22 3PX -0.12090 -0.13115 0.21575 -0.02906 -0.30394 23 3PY -0.35742 0.32338 0.33363 0.64542 -0.59705 24 3PZ 0.23691 -0.56584 -0.41590 0.19389 1.04095 25 4XX 0.02224 -0.01327 0.01777 -0.00489 -0.00573 26 4YY -0.02571 0.01583 0.01858 0.01553 0.00111 27 4ZZ 0.01303 0.00326 -0.01435 -0.00974 0.00920 28 4XY 0.00132 0.02384 0.01247 0.01527 -0.01553 29 4XZ 0.01818 0.01000 0.00349 -0.02231 0.01437 30 4YZ -0.00628 -0.01307 -0.01545 0.01852 0.00908 31 3 C 1S 0.00980 -0.01459 -0.00268 -0.00470 0.00973 32 2S -0.09890 0.08905 -0.00485 0.05786 -0.01125 33 2PX 0.00203 0.02085 -0.29647 -0.15736 0.12627 34 2PY -0.00456 -0.11643 -0.21013 -0.03537 0.11416 35 2PZ -0.06510 -0.08417 -0.06647 0.18889 0.03365 36 3S 0.30142 -0.28785 0.12251 -0.41012 0.27917 37 3PX 0.03506 -0.03276 0.71451 0.28215 -0.38370 38 3PY -0.10082 0.30701 0.50721 0.09516 -0.58115 39 3PZ 0.02097 0.31040 0.20647 -0.53163 -0.13397 40 4XX -0.00869 0.00402 0.01936 -0.01553 -0.00238 41 4YY 0.00612 -0.00550 -0.01160 -0.00993 0.01426 42 4ZZ -0.00141 -0.00019 -0.01042 0.02162 0.00607 43 4XY 0.00582 0.00683 -0.02698 -0.00120 0.01553 44 4XZ 0.01997 0.00847 -0.00660 -0.00050 -0.01854 45 4YZ -0.02004 -0.00151 0.00163 0.00456 -0.00789 46 4 C 1S 0.01383 -0.01026 -0.00662 -0.01969 -0.00323 47 2S -0.05352 0.18692 0.00144 0.04302 0.07282 48 2PX -0.06798 0.27136 -0.18822 0.11667 -0.02145 49 2PY 0.17746 -0.16988 0.04022 -0.02140 -0.09051 50 2PZ -0.21195 0.16404 0.07596 -0.03219 0.02317 51 3S -0.07454 -0.58866 0.14051 -0.12111 -0.14283 52 3PX 0.11783 -0.56523 0.59640 -0.23813 -0.14985 53 3PY -0.32882 0.41601 -0.28739 -0.01617 0.14588 54 3PZ 0.49734 -0.55786 -0.43252 0.18175 0.04572 55 4XX -0.02566 0.01905 -0.00458 -0.01726 0.00877 56 4YY 0.01715 -0.00086 -0.01926 -0.01534 -0.00833 57 4ZZ 0.00923 -0.00276 0.02229 0.01167 0.00193 58 4XY 0.00940 -0.01351 -0.01174 0.00275 0.01043 59 4XZ -0.00270 -0.01701 -0.00313 0.01817 0.00609 60 4YZ 0.00776 0.02317 -0.02657 0.02109 0.00333 61 5 C 1S -0.00538 0.00531 0.00084 0.00689 0.00635 62 2S 0.04763 -0.02454 -0.09122 -0.21757 -0.08638 63 2PX -0.01516 0.14822 -0.07596 -0.17844 -0.20205 64 2PY -0.04381 -0.14033 -0.17723 -0.20254 -0.21146 65 2PZ -0.21530 0.26329 -0.23813 -0.06855 -0.01219 66 3S -0.71550 0.66157 -0.10530 1.12504 0.27800 67 3PX 0.16018 -0.49821 0.25787 0.47015 0.76495 68 3PY 0.50649 0.21047 0.63654 0.29851 0.64274 69 3PZ 0.37105 -0.76588 1.01157 0.12478 -0.11350 70 4XX -0.01489 0.00208 0.00289 -0.00222 0.02223 71 4YY 0.00548 -0.00402 -0.01656 -0.00173 -0.01291 72 4ZZ -0.00923 0.01884 0.00229 0.00427 -0.00530 73 4XY -0.00574 0.00620 -0.04037 0.01157 -0.00507 74 4XZ 0.00767 -0.00497 0.01195 -0.01091 0.00143 75 4YZ 0.05092 -0.02296 0.00108 0.00784 0.00818 76 6 C 1S -0.01067 0.00784 -0.01164 0.00201 -0.01281 77 2S -0.11584 0.19532 0.09258 0.03939 0.09450 78 2PX -0.06642 0.16379 -0.25383 -0.15235 -0.20246 79 2PY -0.20004 0.07953 -0.19722 0.08007 0.01938 80 2PZ -0.03760 0.02584 0.09734 -0.07212 0.02365 81 3S 0.24553 0.13032 -0.14170 0.00767 -0.21289 82 3PX 0.47947 -0.09830 0.75881 0.17604 1.14936 83 3PY 0.57651 -0.42826 0.50384 -0.53305 0.23278 84 3PZ -0.31901 0.06776 -0.77014 0.40805 -0.35882 85 4XX 0.00581 0.01906 -0.00466 -0.02845 -0.03421 86 4YY -0.03154 0.04211 0.01792 0.02449 0.02484 87 4ZZ 0.00049 -0.01775 -0.02041 0.00703 -0.00044 88 4XY -0.00738 -0.01701 -0.01006 0.02280 0.01851 89 4XZ -0.00148 -0.02113 0.01738 -0.01440 0.00095 90 4YZ -0.00895 0.01216 0.00116 -0.00533 -0.02952 91 7 C 1S -0.00267 -0.01557 -0.00507 0.00745 -0.01127 92 2S -0.08382 0.25618 -0.01481 -0.06753 0.00952 93 2PX 0.15715 0.11798 -0.06740 -0.26249 0.16197 94 2PY -0.10885 0.07300 -0.06778 -0.05085 0.05040 95 2PZ -0.01219 -0.36444 -0.27981 -0.12827 -0.16036 96 3S 0.38298 -0.57989 0.48267 0.07984 -0.10566 97 3PX -0.54142 -0.37451 -0.20075 0.92862 -0.92008 98 3PY 0.13607 -0.50074 0.03840 -0.11735 -0.30253 99 3PZ -0.18921 0.42250 0.30307 0.36135 0.01187 100 4XX -0.00995 -0.02672 -0.01876 0.03502 -0.01511 101 4YY 0.02186 0.00029 0.01960 -0.03210 0.00117 102 4ZZ -0.02114 0.04144 0.00495 0.00613 0.00054 103 4XY 0.02692 -0.02549 0.01098 -0.01353 -0.01149 104 4XZ -0.01138 0.01930 0.02089 0.01508 -0.02474 105 4YZ -0.00664 -0.01787 -0.02999 0.01177 0.00209 106 8 C 1S 0.00765 -0.00299 0.00105 -0.00921 -0.00138 107 2S -0.05514 0.15130 -0.01715 -0.01067 0.02085 108 2PX 0.08235 0.12889 0.05703 -0.27970 0.23403 109 2PY 0.01970 -0.12183 -0.04864 -0.00286 -0.03004 110 2PZ -0.07435 0.02944 -0.03334 -0.04271 -0.04052 111 3S 0.25305 0.03749 0.21990 -0.17945 0.13947 112 3PX -0.19262 -0.42005 -0.02195 0.96913 -0.80282 113 3PY 0.01080 0.97040 0.09427 -0.22325 0.07201 114 3PZ 0.13074 -0.34070 0.02472 0.16498 0.02122 115 4XX -0.00787 0.03468 0.00666 -0.02432 0.00872 116 4YY 0.02658 0.02233 -0.00056 0.03420 0.02605 117 4ZZ -0.01731 -0.02140 -0.00220 -0.02632 -0.02864 118 4XY -0.01693 0.02384 -0.00626 -0.00408 -0.00261 119 4XZ 0.01054 -0.02162 -0.04217 0.00343 0.02254 120 4YZ -0.00310 0.05027 -0.00120 -0.01034 0.02704 121 9 C 1S -0.01416 0.00283 0.00315 -0.00288 0.00052 122 2S 0.06380 0.19404 -0.10218 -0.05785 0.03423 123 2PX 0.12877 -0.27019 0.19585 -0.09857 0.11295 124 2PY -0.10568 0.10565 -0.22567 -0.01040 0.00220 125 2PZ -0.09657 -0.05805 0.19140 -0.16253 -0.16192 126 3S -0.09225 -0.53985 0.18660 -0.06497 0.10340 127 3PX -0.16172 0.88505 -0.51297 0.23154 -0.20559 128 3PY 0.08478 -0.28765 0.79749 0.35293 -0.26683 129 3PZ 0.08341 0.05407 -0.55912 0.28540 0.50960 130 4XX -0.01031 -0.01117 -0.01357 0.02416 0.00308 131 4YY 0.00990 0.01348 -0.00631 -0.01496 -0.00891 132 4ZZ -0.01151 0.02673 0.00616 -0.02256 0.01867 133 4XY 0.00474 -0.01514 0.02302 -0.01939 0.00247 134 4XZ 0.00214 -0.02356 0.02900 -0.02284 -0.02494 135 4YZ 0.01107 -0.00090 -0.00027 -0.00312 -0.01774 136 10 C 1S 0.02107 0.00002 0.00017 -0.00151 -0.00086 137 2S -0.06914 0.06612 0.01664 0.11287 0.12001 138 2PX 0.02546 -0.19536 0.01370 -0.02347 -0.17893 139 2PY -0.00396 -0.15206 -0.14912 0.24254 -0.03081 140 2PZ -0.11886 -0.02342 0.18690 -0.15696 -0.00920 141 3S 0.06233 0.52195 -0.16579 -0.86066 -0.36538 142 3PX -0.22336 0.32040 -0.02987 0.01967 0.60579 143 3PY 0.07347 0.23766 0.35600 -0.91818 -0.32981 144 3PZ 0.27356 0.48487 -0.86897 0.04643 -0.10151 145 4XX 0.02368 0.00371 0.02165 -0.00622 -0.00493 146 4YY 0.00624 0.01098 0.00463 -0.02491 0.01146 147 4ZZ -0.01162 0.01340 -0.02361 0.02253 0.00829 148 4XY 0.01262 -0.00422 0.01603 -0.01992 -0.00861 149 4XZ 0.00223 0.01023 -0.04117 0.01934 -0.00297 150 4YZ 0.01309 -0.00495 0.00084 -0.00002 -0.01481 151 11 C 1S -0.00383 -0.00280 -0.00109 0.01217 -0.01263 152 2S 0.02001 0.12676 -0.00939 -0.12669 -0.01490 153 2PX -0.05223 -0.05524 0.02281 0.38913 0.05309 154 2PY -0.21297 -0.14737 -0.21388 0.04795 0.03572 155 2PZ -0.09793 0.01691 -0.06913 -0.14631 -0.05745 156 3S 0.18783 -0.31606 0.02536 0.23007 -0.06306 157 3PX 0.20701 0.16245 0.09153 -0.96146 -0.17273 158 3PY 0.23460 0.23538 0.76951 -0.24310 -0.02562 159 3PZ 0.17342 -0.11939 0.11021 0.36186 0.20918 160 4XX 0.00931 0.00244 0.01748 -0.02064 0.00132 161 4YY -0.00545 -0.00561 0.01500 0.00082 -0.01299 162 4ZZ -0.00256 0.01667 -0.03467 0.00805 -0.00485 163 4XY -0.00680 -0.02437 -0.01686 0.01846 0.00690 164 4XZ -0.02472 -0.00972 -0.00852 0.00954 0.01364 165 4YZ -0.01873 0.00607 0.00694 -0.00580 0.01591 166 12 H 1S 0.05743 0.03865 -0.15263 0.12428 -0.11758 167 2S 0.08400 0.05664 -0.26305 0.03575 0.02721 168 13 H 1S -0.11612 -0.00991 -0.09701 0.08907 -0.00541 169 2S -0.04190 0.01422 -0.18365 -0.00281 -0.12420 170 14 C 1S 0.01787 0.00550 0.00140 0.02390 -0.00726 171 2S -0.11455 -0.04019 -0.01327 -0.16737 0.06220 172 2PX -0.17232 -0.06639 0.00929 0.04336 0.25340 173 2PY 0.26475 0.16964 0.02625 0.09099 -0.30329 174 2PZ -0.21649 -0.01059 0.11110 -0.19016 0.13380 175 3S 0.46828 0.29880 0.23574 0.71402 -0.46673 176 3PX 0.26345 0.09806 0.06417 -0.25399 -0.44788 177 3PY -0.62810 -0.46938 -0.17496 -0.09844 0.72847 178 3PZ 0.38514 0.08002 -0.24207 0.55022 -0.60556 179 4XX -0.01273 0.00955 0.00948 0.01951 0.00737 180 4YY 0.00613 -0.00458 -0.00814 -0.00507 -0.02050 181 4ZZ 0.02314 0.00481 0.00268 -0.00177 -0.00089 182 4XY -0.03176 -0.01259 -0.02632 -0.00887 0.00919 183 4XZ 0.01284 0.00178 -0.01623 0.00857 -0.01825 184 4YZ -0.02243 -0.01662 0.00454 -0.02091 0.02887 185 15 H 1S -0.08025 -0.02254 -0.06330 0.14584 -0.10707 186 2S 0.14951 0.08632 0.07511 0.15144 -0.17803 187 16 H 1S 0.07582 0.00407 -0.01210 0.05669 -0.01867 188 2S 0.00527 -0.03964 -0.12637 0.16927 -0.11712 189 17 C 1S -0.03687 -0.01251 0.01073 -0.01029 0.00328 190 2S 0.27983 0.09913 -0.09114 0.06980 -0.04791 191 2PX -0.42300 -0.21910 0.17501 -0.11115 -0.03142 192 2PY -0.04526 -0.08252 0.12438 0.17859 -0.46748 193 2PZ -0.16125 -0.12163 -0.14423 -0.24013 0.20191 194 3S -0.89001 -0.21658 0.55645 -0.21845 0.51284 195 3PX 1.06424 0.54512 -0.64812 0.37860 -0.23338 196 3PY 0.07804 0.15157 -0.43802 -0.24694 1.00339 197 3PZ 0.44367 0.45615 0.35900 0.43924 -0.46230 198 4XX -0.00054 0.01604 0.00401 0.01029 -0.00084 199 4YY -0.01294 -0.01169 -0.00019 0.00243 0.00763 200 4ZZ -0.00143 -0.00522 0.00718 -0.01936 0.00442 201 4XY -0.01295 0.01125 0.01674 0.01122 -0.03116 202 4XZ -0.00648 -0.00110 -0.02634 -0.00834 0.00837 203 4YZ 0.01941 -0.00113 -0.01662 0.00753 -0.02693 204 18 C 1S 0.02499 0.00271 -0.00077 -0.00544 0.02164 205 2S -0.17274 0.02406 -0.00472 0.00437 -0.07042 206 2PX -0.11256 -0.17198 0.32066 -0.04346 -0.06684 207 2PY -0.35378 0.07787 0.12857 0.03256 0.01727 208 2PZ 0.07676 0.14221 -0.22648 0.08696 0.05029 209 3S 0.53875 -0.14229 -0.20360 0.14425 0.33324 210 3PX 0.14385 0.24534 -0.83336 0.14634 0.16712 211 3PY 0.79930 -0.25312 -0.50242 -0.29848 -0.00661 212 3PZ -0.20046 -0.47380 0.64987 -0.16966 -0.16710 213 4XX 0.01730 -0.00282 -0.00621 -0.00164 0.01687 214 4YY 0.00435 0.02133 -0.00890 0.01364 0.02253 215 4ZZ -0.00816 -0.01413 -0.00422 -0.00724 -0.02384 216 4XY 0.02574 0.01937 -0.02180 -0.00584 0.00059 217 4XZ -0.01323 0.01003 0.01912 -0.02506 -0.00265 218 4YZ 0.00076 -0.02404 0.02083 -0.00207 -0.00606 219 19 H 1S 0.12492 -0.03412 0.02783 -0.06841 0.05216 220 2S 0.13287 -0.15781 -0.03967 -0.09620 -0.01223 221 20 H 1S 0.00510 0.02159 0.03662 -0.19142 0.10576 222 2S 0.21694 0.00871 -0.14595 -0.15566 0.07499 223 21 H 1S -0.17128 -0.06683 0.02689 -0.07091 -0.02027 224 2S -0.28049 -0.25047 0.08507 -0.12664 -0.01393 225 22 H 1S -0.10497 -0.09660 0.09387 -0.05853 0.08543 226 2S -0.24914 -0.10486 0.20447 -0.09769 0.17578 227 23 H 1S 0.10383 0.08311 -0.08226 -0.00669 -0.04737 228 2S 0.26561 0.21353 -0.06837 -0.23711 -0.00130 229 24 H 1S -0.01605 0.01250 0.09052 -0.12087 -0.04027 230 2S -0.07705 0.03101 -0.04786 -0.10390 -0.02825 231 25 H 1S 0.12628 0.20545 0.03295 -0.02954 0.09964 232 2S 0.04993 0.39914 -0.05524 -0.31426 0.04839 233 26 H 1S 0.02160 -0.07404 -0.00057 -0.20489 -0.09399 234 2S -0.02355 0.35508 0.00634 -0.10242 0.12228 235 27 H 1S 0.10076 0.02721 0.10639 -0.06081 0.04815 236 2S -0.26111 -0.25937 -0.27641 0.25142 -0.47331 237 28 Br 1S -0.00316 0.00098 -0.00088 0.00241 -0.00176 238 2S 0.01926 -0.00517 0.00632 -0.01568 0.01272 239 3S -0.01954 0.00267 -0.00886 0.01804 -0.01772 240 4S -0.05115 0.02005 -0.01164 0.03808 -0.02451 241 5S 0.25821 0.04385 0.13141 -0.28524 0.34166 242 6S -0.44229 -0.11918 -0.21767 0.59616 -0.72124 243 7PX 0.01541 0.01372 0.01087 -0.02284 -0.01434 244 7PY 0.01614 -0.01355 0.00271 -0.00500 -0.00129 245 7PZ -0.00036 0.01933 0.01674 0.00552 0.01855 246 8PX -0.05003 -0.04463 -0.03538 0.07416 0.04658 247 8PY -0.05234 0.04388 -0.00893 0.01624 0.00412 248 8PZ 0.00125 -0.06334 -0.05474 -0.01809 -0.06056 249 9PX 0.18376 0.16277 0.13336 -0.26971 -0.17058 250 9PY 0.18948 -0.15645 0.04019 -0.06200 -0.00992 251 9PZ -0.00298 0.25633 0.21603 0.06667 0.24392 252 10PX -0.25201 -0.12670 -0.16033 0.33057 0.20332 253 10PY -0.25093 0.20277 -0.08268 0.13444 -0.02657 254 10PZ -0.10685 -0.29984 -0.24361 0.09584 -0.46802 255 11XX -0.00835 -0.03840 -0.02372 -0.00250 -0.01175 256 11YY 0.01487 -0.03139 -0.00582 -0.02132 -0.02138 257 11ZZ 0.01789 0.06628 0.04111 0.00018 0.05690 258 11XY 0.02532 0.00192 0.00926 -0.01142 -0.02069 259 11XZ 0.01148 0.01653 0.02749 -0.01102 -0.00045 260 11YZ 0.00691 0.01064 0.02887 0.01009 0.01880 261 12XX 0.13914 0.23815 0.19088 -0.11759 0.23386 262 12YY 0.01761 0.19465 0.08267 -0.00825 0.26700 263 12ZZ -0.02995 -0.27744 -0.12276 -0.07072 -0.16167 264 12XY -0.13629 0.00328 -0.05211 0.05935 0.09833 265 12XZ -0.06515 -0.05735 -0.13807 0.05446 0.00412 266 12YZ -0.04448 -0.03881 -0.14201 -0.03482 -0.09939 267 29 C 1S -0.01487 0.00036 -0.01229 -0.02858 -0.01107 268 2S 0.00279 0.11841 0.05305 0.07915 0.12280 269 2PX -0.03430 0.06170 0.04050 -0.00021 -0.05261 270 2PY 0.00650 -0.02893 -0.06830 -0.11663 -0.13032 271 2PZ -0.16152 0.03598 -0.03144 -0.11529 -0.00908 272 3S 0.10986 -0.07935 -0.47470 0.00369 -0.26012 273 3PX 0.13448 -0.12337 -0.00951 -0.03512 -0.00025 274 3PY 0.14775 -0.20214 0.46121 0.39802 0.24519 275 3PZ 0.66917 -0.17181 0.36388 0.50002 0.24123 276 4XX 0.00859 0.01909 0.00126 -0.02391 -0.00252 277 4YY -0.01760 -0.00662 0.00750 0.00503 0.00573 278 4ZZ 0.00251 0.01233 -0.02902 0.00133 0.00478 279 4XY 0.00976 0.00380 0.00241 -0.00382 -0.00900 280 4XZ 0.00006 -0.01288 0.00161 -0.00033 -0.01196 281 4YZ 0.01510 0.01461 -0.01881 -0.01045 -0.01118 282 30 H 1S -0.11188 0.06237 -0.07046 -0.15500 -0.02685 283 2S -0.14729 -0.00578 -0.11113 -0.15001 -0.06684 284 31 H 1S -0.17522 0.00820 -0.06006 -0.09203 -0.03645 285 2S -0.27371 0.16105 0.02026 -0.17695 -0.04942 286 32 H 1S -0.09076 0.03973 -0.02759 -0.15146 -0.07137 287 2S -0.13884 0.13273 -0.19944 -0.15228 -0.04459 288 33 H 1S 0.17142 -0.02049 -0.07101 0.04491 0.01808 289 2S 0.12565 -0.09223 -0.25286 0.03586 0.11926 290 34 H 1S 0.09508 -0.10388 -0.18083 -0.12212 0.02614 291 2S 0.10158 0.05115 -0.11386 0.06026 -0.00498 292 35 H 1S 0.00687 -0.08094 -0.01958 -0.00978 0.06060 293 2S 0.09048 -0.17622 -0.21425 0.19213 0.23001 294 36 H 1S 0.15011 -0.11898 -0.06433 -0.00452 0.09159 295 2S -0.02234 -0.00363 0.10224 -0.19157 0.03462 296 37 H 1S 0.00746 -0.06465 0.00290 0.05103 0.05581 297 2S 0.00183 -0.14947 -0.02833 0.23897 0.20653 298 38 H 1S 0.01721 -0.15393 0.08123 0.09540 0.06990 299 2S -0.08103 0.06269 0.11425 -0.09842 -0.12401 300 39 H 1S -0.15775 -0.08284 0.01182 0.15242 0.11906 301 2S -0.06426 0.00640 0.01665 0.25593 0.18928 302 40 H 1S -0.00529 -0.00050 0.15421 0.16946 0.07956 303 2S -0.20546 0.09529 -0.10882 0.31962 0.04688 151 152 153 154 155 V V V V V Eigenvalues -- 0.60983 0.62197 0.63311 0.64918 0.66964 1 1 C 1S 0.01611 -0.00116 -0.00567 -0.00218 -0.00855 2 2S -0.09594 -0.08879 0.02693 0.03407 -0.18849 3 2PX -0.17825 0.05191 0.11222 -0.05811 -0.00198 4 2PY -0.09587 0.10062 -0.36554 -0.28254 -0.29127 5 2PZ 0.00767 -0.15653 0.19473 -0.08018 -0.03698 6 3S -0.37709 0.63009 0.14336 -0.37501 -0.36775 7 3PX 0.22026 -0.35989 -0.47591 -0.23378 -0.58041 8 3PY 0.24271 -0.40762 1.06757 0.82425 0.74486 9 3PZ 0.30853 0.77982 -0.71133 0.21330 0.19071 10 4XX -0.02719 0.01458 -0.01076 -0.02690 -0.05717 11 4YY -0.01925 -0.03727 0.03192 0.00741 -0.00599 12 4ZZ 0.03742 0.00982 -0.01077 0.02300 0.01280 13 4XY -0.00326 0.00226 -0.04718 -0.03006 0.00084 14 4XZ -0.02165 -0.00765 0.01773 -0.00756 0.01771 15 4YZ 0.04503 -0.05127 0.01281 0.01953 0.02311 16 2 C 1S 0.00162 -0.00415 0.00468 0.00459 -0.01251 17 2S -0.05652 -0.00083 -0.04772 -0.06590 -0.07548 18 2PX -0.04648 -0.11987 0.02352 -0.01924 -0.18406 19 2PY 0.23851 0.06016 -0.25630 0.01151 0.05045 20 2PZ 0.11840 0.27554 0.06614 0.10969 0.05986 21 3S -0.02474 0.36750 -0.03353 0.16017 -0.20172 22 3PX 0.11761 0.44765 -0.26277 0.00942 0.18470 23 3PY -0.83738 -0.28390 0.94445 0.02678 -0.33054 24 3PZ -0.17064 -0.84569 -0.57355 -0.45755 -0.40373 25 4XX 0.03678 0.00639 0.01941 -0.00009 -0.02755 26 4YY -0.00216 -0.00181 -0.00882 -0.00084 0.00776 27 4ZZ -0.04563 0.00549 -0.01637 -0.00404 -0.01068 28 4XY -0.03642 -0.01154 0.04675 0.00543 -0.00156 29 4XZ -0.01407 0.02432 -0.02417 -0.00561 -0.00191 30 4YZ 0.01196 -0.02572 0.00976 0.00501 0.00068 31 3 C 1S -0.00551 -0.00776 0.00351 0.00636 -0.01175 32 2S 0.00852 -0.02804 -0.06984 -0.02759 -0.11203 33 2PX 0.36090 0.07549 -0.26975 -0.13590 0.03746 34 2PY -0.05659 -0.13061 -0.17940 -0.06123 0.10335 35 2PZ -0.18986 -0.33700 0.12683 -0.07690 -0.14990 36 3S 0.02607 0.10430 -0.12260 0.19247 -0.12558 37 3PX -1.14583 -0.04635 0.78007 0.46310 -0.51143 38 3PY 0.32356 0.46408 0.69866 0.27025 0.02741 39 3PZ 0.65453 1.01030 -0.45257 0.27498 0.41980 40 4XX -0.02331 0.01130 -0.02170 0.01309 -0.01830 41 4YY 0.03100 -0.00806 0.01302 -0.00188 -0.01726 42 4ZZ -0.01390 -0.01501 -0.00356 -0.00129 -0.00231 43 4XY -0.00871 -0.01371 -0.02096 -0.01716 0.01704 44 4XZ -0.00782 0.02741 0.01660 -0.00455 -0.00827 45 4YZ -0.02010 -0.00915 -0.01650 -0.00537 -0.00118 46 4 C 1S 0.01010 0.01145 -0.00190 -0.00166 -0.01721 47 2S -0.18539 -0.14631 0.00276 0.02422 -0.11295 48 2PX 0.22673 0.01231 -0.02189 -0.08808 0.26627 49 2PY -0.01518 -0.04399 0.13102 0.24527 -0.08789 50 2PZ 0.15624 0.12880 -0.10558 0.22273 -0.06832 51 3S 1.40295 -0.03564 -0.46054 0.08648 0.75706 52 3PX -0.56791 -0.04562 0.00928 0.30200 -0.52507 53 3PY -0.04893 0.10195 -0.48047 -0.60502 0.38049 54 3PZ -0.38991 -0.98777 0.28592 -0.47696 -0.04212 55 4XX 0.03763 -0.00084 -0.02442 -0.00278 0.01385 56 4YY -0.03997 -0.04003 0.02667 -0.00375 -0.02333 57 4ZZ 0.01846 0.01766 -0.01444 0.00781 -0.00399 58 4XY -0.00875 0.00665 0.03137 0.00100 -0.02225 59 4XZ -0.00787 -0.03623 -0.00282 -0.00842 0.00769 60 4YZ -0.04028 0.01826 0.00483 -0.01042 -0.02695 61 5 C 1S -0.00689 -0.00610 0.00145 -0.00292 -0.00531 62 2S 0.08126 -0.00898 -0.02918 -0.22822 -0.31348 63 2PX -0.05733 0.09769 -0.09307 0.01194 0.03200 64 2PY -0.10979 -0.33006 -0.13748 0.19037 -0.12893 65 2PZ -0.28244 -0.04792 0.01272 -0.00089 -0.20554 66 3S 0.31178 -0.47800 0.04756 1.58992 1.51265 67 3PX 0.58994 -0.59334 0.27905 0.33432 0.14230 68 3PY 0.09630 1.71089 0.41939 -0.69310 -0.57993 69 3PZ 1.00975 -0.00233 -0.01476 0.52931 0.47233 70 4XX 0.02706 -0.01757 -0.00299 0.01363 0.00408 71 4YY 0.00643 0.00519 0.01774 -0.00328 -0.03534 72 4ZZ -0.00924 -0.01652 -0.01879 -0.00975 0.00660 73 4XY -0.01801 -0.01850 0.03057 0.00222 0.00404 74 4XZ 0.01093 0.00272 -0.00747 -0.02058 0.01889 75 4YZ -0.04510 0.00846 0.00848 -0.00882 -0.02544 76 6 C 1S -0.01851 0.01184 0.00139 -0.00346 0.00627 77 2S 0.23139 -0.17098 0.08300 0.04652 -0.37992 78 2PX 0.01660 -0.13892 0.15312 0.17659 0.20744 79 2PY -0.14898 -0.12991 -0.07854 0.14522 -0.06769 80 2PZ 0.16581 0.17130 0.09459 0.08323 -0.18343 81 3S -0.80261 1.07467 -0.52927 -0.72764 0.40191 82 3PX -0.71075 0.67268 -0.63439 -1.26213 -1.23693 83 3PY 0.42240 0.44145 0.26327 -0.39889 -0.05718 84 3PZ -0.79892 -0.44045 -0.23219 -0.01701 0.69756 85 4XX 0.00305 0.03135 0.04469 0.00278 -0.02745 86 4YY -0.01430 -0.00146 -0.03839 -0.03092 -0.02993 87 4ZZ 0.00219 -0.01208 -0.00368 0.00427 0.01604 88 4XY 0.03427 -0.00705 0.06101 0.02019 -0.00360 89 4XZ 0.02806 -0.01936 -0.02804 0.01903 0.02588 90 4YZ -0.02097 -0.00002 0.00504 -0.00921 -0.00394 91 7 C 1S -0.00481 0.00159 -0.00779 -0.01011 -0.00535 92 2S -0.03256 -0.10427 0.02720 0.16597 0.04913 93 2PX -0.04177 -0.11374 0.11710 -0.11339 0.07603 94 2PY -0.33500 0.07659 -0.45815 -0.20425 0.09381 95 2PZ -0.09112 0.05842 -0.02252 0.32549 0.22606 96 3S 0.86374 0.21412 -0.05766 -0.28582 -0.40842 97 3PX 0.31713 0.33088 -0.37790 0.47256 -0.04686 98 3PY 1.14583 -0.40731 1.55088 0.87772 -0.07339 99 3PZ 0.02418 0.19057 -0.21590 -0.77016 -0.55188 100 4XX -0.00364 -0.00999 -0.01409 0.02104 -0.01158 101 4YY 0.02040 0.00595 -0.00270 0.01813 0.00988 102 4ZZ 0.00853 -0.00726 0.02091 -0.01345 -0.01194 103 4XY -0.02219 0.02147 0.00805 -0.01953 -0.02055 104 4XZ -0.00031 0.01507 -0.00131 0.01604 -0.03908 105 4YZ -0.00107 -0.01285 0.00662 0.03387 0.01862 106 8 C 1S 0.00687 0.00495 0.00610 -0.00542 0.00408 107 2S 0.05848 -0.09568 0.00011 0.04021 -0.05844 108 2PX 0.02089 -0.01784 0.11950 0.01726 0.15273 109 2PY 0.04351 -0.08751 0.17213 -0.04642 -0.09124 110 2PZ 0.09462 0.03318 0.04263 -0.07378 -0.09474 111 3S -0.57549 -0.24518 0.08312 -0.18570 0.18534 112 3PX 0.08774 0.16182 -0.65404 -0.03368 -0.39766 113 3PY -0.41741 0.31262 -0.63021 -0.33770 0.19463 114 3PZ 0.00580 0.03635 0.06536 0.46183 0.07338 115 4XX -0.01442 -0.04999 0.00205 0.01529 0.00870 116 4YY 0.00074 0.03737 -0.00145 0.03052 -0.04984 117 4ZZ 0.01284 -0.00925 0.00461 -0.04966 0.04570 118 4XY -0.00858 -0.02341 -0.02284 0.00867 0.03643 119 4XZ 0.00254 0.00113 0.00387 0.01848 0.02876 120 4YZ -0.00365 0.01315 -0.00950 0.00744 -0.00919 121 9 C 1S -0.00368 -0.00431 0.00352 0.00228 -0.00827 122 2S -0.07545 0.01124 -0.03256 -0.13285 0.08426 123 2PX 0.00246 -0.02536 -0.03095 0.04374 0.04730 124 2PY 0.09179 0.20925 0.09524 -0.11139 -0.12023 125 2PZ 0.07348 -0.07171 0.10399 -0.07278 -0.14871 126 3S 0.67051 -0.58772 0.47471 0.95758 0.01140 127 3PX -0.14907 0.52808 0.09650 -0.15713 -0.20389 128 3PY -0.29829 -0.54475 -0.72645 0.22920 0.29629 129 3PZ -0.30948 0.49505 -0.13707 0.28921 0.18386 130 4XX 0.02542 0.00692 0.01316 0.01579 0.00612 131 4YY -0.01076 -0.03613 -0.00486 -0.02419 0.01762 132 4ZZ -0.00924 0.00491 0.00594 0.01217 -0.01976 133 4XY -0.00208 0.00908 0.00775 -0.00037 -0.00634 134 4XZ 0.00184 -0.02503 0.01446 -0.02718 0.00953 135 4YZ 0.01326 0.02466 0.00894 -0.01902 -0.01526 136 10 C 1S 0.00460 0.00472 -0.00430 0.00842 0.00092 137 2S 0.13971 -0.24401 0.02803 -0.00866 -0.06508 138 2PX -0.01546 0.18355 0.04406 -0.03203 -0.00865 139 2PY 0.08907 0.37452 -0.10025 0.18353 -0.16759 140 2PZ -0.02028 -0.15905 -0.04271 0.27216 -0.03729 141 3S -0.62920 0.92640 -0.25454 -0.35563 -0.11635 142 3PX -0.02057 -0.87436 -0.10456 0.38249 0.44612 143 3PY -0.00816 -1.16576 -0.11218 -0.54080 0.22038 144 3PZ -0.23963 0.93968 0.44037 -1.16046 -0.36124 145 4XX -0.01478 0.00298 -0.01779 0.00064 -0.02943 146 4YY 0.01401 0.00294 0.01942 0.00917 -0.03048 147 4ZZ 0.01678 -0.02197 -0.00723 -0.01959 0.03513 148 4XY -0.00673 -0.02684 -0.00742 0.00005 -0.00802 149 4XZ -0.03047 0.00024 0.00563 0.00002 -0.00991 150 4YZ 0.00083 0.01208 -0.00129 -0.00722 0.00346 151 11 C 1S 0.00566 -0.00432 -0.01204 -0.00193 0.00118 152 2S -0.02055 0.00774 0.03204 -0.05819 -0.03960 153 2PX -0.07224 0.20281 0.23403 -0.07892 0.20833 154 2PY 0.15387 0.14083 0.01705 -0.14341 -0.19141 155 2PZ 0.08902 -0.16083 0.13885 -0.30819 -0.06840 156 3S 0.28936 0.28243 -0.19077 0.34920 -0.39298 157 3PX 0.18508 -0.75660 -0.65917 0.16645 -0.52940 158 3PY -0.44074 -0.66744 -0.20612 0.58458 0.66516 159 3PZ -0.24055 0.34597 -0.21583 0.97348 0.14427 160 4XX 0.02136 0.00443 -0.00004 0.00608 -0.02644 161 4YY -0.00268 -0.00766 -0.01395 0.01903 0.01029 162 4ZZ -0.00386 0.00742 0.00217 -0.02897 -0.01034 163 4XY 0.00378 0.03828 0.01517 -0.01288 -0.01225 164 4XZ -0.00640 -0.00235 0.00669 0.00337 0.00838 165 4YZ 0.01901 -0.02131 -0.00469 -0.00409 0.03908 166 12 H 1S 0.00097 0.00770 -0.03717 -0.06712 -0.07323 167 2S 0.17948 0.12013 -0.14643 0.08471 -0.12876 168 13 H 1S 0.05251 -0.00724 -0.07138 -0.00795 0.07255 169 2S 0.11765 0.18249 0.22993 -0.56602 -0.23798 170 14 C 1S -0.00021 0.00070 -0.00315 0.00646 0.00512 171 2S -0.00298 -0.01084 0.03841 -0.09504 0.01405 172 2PX -0.28275 0.20020 0.19816 0.08360 0.09509 173 2PY 0.09836 -0.26933 -0.28547 0.10820 0.01321 174 2PZ -0.14665 -0.01103 -0.09295 0.26889 -0.00008 175 3S -0.15519 -0.03766 -0.32032 0.34810 0.15212 176 3PX 0.71150 -0.43470 -0.47289 -0.25952 -0.49141 177 3PY -0.17150 0.74649 0.80946 -0.26400 0.04048 178 3PZ 0.25360 -0.00783 0.19366 -1.03759 0.18857 179 4XX -0.01042 -0.00543 0.00702 -0.00128 0.03849 180 4YY -0.00856 -0.00130 -0.00407 -0.02570 -0.00805 181 4ZZ 0.01261 0.00026 -0.00676 0.02140 -0.01523 182 4XY 0.00116 -0.00915 -0.00381 -0.00270 0.00219 183 4XZ 0.01989 -0.00082 -0.00891 -0.02580 -0.01474 184 4YZ 0.00473 0.02008 0.03297 -0.01065 0.01576 185 15 H 1S -0.02796 -0.02187 -0.04384 -0.09558 0.08334 186 2S -0.07171 -0.04165 -0.05408 -0.01989 0.12421 187 16 H 1S 0.03391 0.03942 0.00268 0.02726 0.04174 188 2S 0.07539 0.09727 0.19743 -0.53589 0.07034 189 17 C 1S -0.01472 0.00450 -0.00198 -0.00349 0.00150 190 2S 0.08962 -0.01522 0.02783 -0.03129 0.02413 191 2PX 0.04109 0.01912 -0.00487 -0.07249 -0.02221 192 2PY 0.05120 -0.09034 -0.14979 -0.34624 -0.07635 193 2PZ -0.04092 0.12708 0.29965 -0.25146 0.04906 194 3S -0.49017 0.11399 -0.08134 0.34291 0.03733 195 3PX -0.12549 -0.06024 -0.10309 0.04801 -0.13854 196 3PY -0.11102 0.25684 0.38330 1.02324 0.17104 197 3PZ 0.09893 -0.35763 -0.89753 0.69773 -0.27088 198 4XX -0.00672 -0.01421 -0.02139 0.02159 0.00009 199 4YY 0.00443 0.01757 0.00531 -0.00704 -0.00474 200 4ZZ -0.00610 0.00256 0.01872 -0.01604 0.01040 201 4XY -0.01177 -0.01819 -0.01548 -0.03102 0.00628 202 4XZ -0.02349 0.01737 0.00968 -0.00180 -0.01667 203 4YZ 0.01950 -0.00552 -0.00005 -0.01358 0.00675 204 18 C 1S -0.00185 -0.00158 0.00449 0.01371 0.01069 205 2S 0.00859 -0.01174 0.02322 -0.08691 -0.01285 206 2PX -0.17306 -0.05684 -0.19604 -0.03946 -0.02183 207 2PY -0.11621 0.00855 -0.12547 0.06309 0.00829 208 2PZ -0.08053 0.17028 -0.06442 0.28858 -0.23653 209 3S -0.21138 -0.01855 -0.19321 0.38575 0.20075 210 3PX 0.51472 0.20602 0.63335 0.21380 0.02591 211 3PY 0.10962 0.08107 0.43922 -0.33947 -0.05242 212 3PZ 0.17188 -0.51192 0.14154 -0.76481 0.59301 213 4XX -0.00075 0.00090 -0.00560 -0.00016 -0.00797 214 4YY -0.00002 -0.00486 -0.00897 0.02816 0.02030 215 4ZZ -0.00637 0.00004 0.01477 -0.02355 0.00377 216 4XY 0.00559 -0.00482 0.02240 -0.01206 -0.00016 217 4XZ 0.00296 -0.00235 0.00651 0.00471 -0.01741 218 4YZ 0.01534 -0.00320 0.00043 -0.00914 0.01870 219 19 H 1S -0.01552 -0.02040 0.03999 0.04860 0.08947 220 2S 0.12365 -0.13389 0.24298 -0.35545 0.16065 221 20 H 1S -0.07111 0.00835 0.08163 0.02131 0.00932 222 2S -0.09078 0.14732 0.02374 0.06383 -0.20236 223 21 H 1S -0.08855 0.02994 0.02061 -0.04347 0.04084 224 2S 0.05032 0.06340 0.23257 -0.47936 0.07504 225 22 H 1S -0.00592 0.02227 0.04500 0.02513 0.09708 226 2S -0.01428 0.03499 -0.00482 0.22730 0.05463 227 23 H 1S 0.03696 0.06096 -0.03909 -0.02454 0.07413 228 2S 0.03339 -0.06556 0.18074 -0.52564 -0.13562 229 24 H 1S 0.02429 -0.04913 0.09170 -0.02251 -0.09278 230 2S 0.16631 -0.08151 0.15064 -0.17243 -0.05815 231 25 H 1S 0.02892 0.16687 0.10390 0.00127 -0.18452 232 2S -0.05292 -0.01711 -0.11336 -0.08273 0.36690 233 26 H 1S 0.01468 -0.08374 0.02745 -0.23114 0.25819 234 2S -0.00073 -0.00256 -0.03553 -0.01445 -0.25277 235 27 H 1S 0.01738 -0.01684 -0.00448 -0.24363 -0.05542 236 2S 0.37615 -0.12257 0.47987 0.96284 0.23283 237 28 Br 1S -0.00263 0.00337 -0.00030 0.00130 0.00050 238 2S 0.01816 -0.02070 0.00084 -0.01074 -0.00489 239 3S -0.02327 0.02187 0.00145 0.01768 0.00982 240 4S -0.03969 0.05259 -0.00662 0.01533 0.00263 241 5S 0.23391 -0.23639 -0.07823 -0.17382 -0.17657 242 6S -0.34565 0.33820 0.22093 0.23383 0.31008 243 7PX -0.01261 0.01747 0.00309 -0.01177 -0.00603 244 7PY 0.01475 -0.01148 0.00359 -0.00181 -0.01339 245 7PZ 0.01176 -0.00930 -0.00295 -0.01070 -0.00229 246 8PX 0.04094 -0.05701 -0.01006 0.03843 0.01978 247 8PY -0.04810 0.03731 -0.01175 0.00603 0.04397 248 8PZ -0.03836 0.03040 0.00968 0.03513 0.00779 249 9PX -0.14899 0.22508 0.03319 -0.14924 -0.08246 250 9PY 0.19218 -0.13610 0.05342 -0.02355 -0.18754 251 9PZ 0.14473 -0.12016 -0.04398 -0.14218 -0.04117 252 10PX 0.19380 -0.35352 0.02307 0.17255 0.10554 253 10PY -0.35758 0.16201 -0.17685 -0.07884 0.33748 254 10PZ -0.10207 0.19644 0.14441 0.07495 -0.04388 255 11XX 0.01297 0.01470 0.00708 -0.01194 0.00431 256 11YY 0.01511 -0.00240 -0.00143 0.00837 -0.02048 257 11ZZ 0.00321 -0.03892 -0.00830 -0.02063 0.00307 258 11XY -0.02734 0.03363 0.01117 0.00633 -0.03472 259 11XZ 0.00252 0.02486 -0.01169 -0.02029 -0.00515 260 11YZ 0.04566 -0.01835 0.02830 0.00492 -0.02706 261 12XX 0.05098 -0.16339 -0.08075 -0.05555 -0.12796 262 12YY 0.01754 -0.08768 -0.05592 -0.16531 0.02887 263 12ZZ 0.13449 0.12173 0.02125 -0.02658 -0.15873 264 12XY 0.13106 -0.17851 -0.06088 -0.03208 0.18565 265 12XZ -0.00751 -0.14276 0.08268 0.09206 0.02118 266 12YZ -0.25665 0.10130 -0.17937 -0.06915 0.14241 267 29 C 1S 0.01455 -0.00117 -0.00142 -0.00115 -0.02788 268 2S 0.07681 -0.04400 -0.00896 0.12560 -0.18443 269 2PX 0.15498 -0.04070 -0.04170 0.10316 0.07735 270 2PY -0.09687 -0.07736 0.15800 -0.02811 -0.13932 271 2PZ 0.09607 0.03868 -0.18606 0.03505 -0.00305 272 3S -0.92953 -0.24686 -0.03302 -0.51268 0.48137 273 3PX -0.47139 0.34251 -0.02524 -0.27883 -0.08436 274 3PY 0.29164 0.11741 -0.43780 0.14186 0.78434 275 3PZ -0.23360 0.27304 0.58033 -0.10930 0.11058 276 4XX 0.01142 0.02067 0.03144 0.00181 -0.01398 277 4YY 0.01217 -0.03438 -0.04959 0.01132 0.01040 278 4ZZ -0.02724 -0.00883 0.00981 -0.01250 -0.05435 279 4XY -0.02903 0.01158 0.00756 0.01580 -0.01488 280 4XZ -0.00267 0.00642 -0.02617 -0.00542 0.00300 281 4YZ -0.05222 -0.01506 0.00449 0.00172 0.00674 282 30 H 1S 0.14303 -0.02622 0.05025 0.03651 -0.13397 283 2S -0.13409 0.13394 -0.09491 -0.02495 -0.39436 284 31 H 1S 0.18553 -0.00957 -0.05955 -0.00295 -0.17066 285 2S 0.33751 -0.10571 -0.28243 0.28192 0.17067 286 32 H 1S 0.09051 0.00771 0.01901 0.10445 -0.20880 287 2S 0.22916 -0.25404 0.18216 0.08741 -0.37369 288 33 H 1S -0.03375 0.09892 0.04608 -0.01074 -0.18678 289 2S -0.20125 -0.46183 0.05376 -0.39362 0.12218 290 34 H 1S -0.05539 -0.08462 0.06347 -0.03282 -0.20699 291 2S 0.00743 -0.14252 0.11220 0.14709 -0.08783 292 35 H 1S -0.06392 -0.05639 -0.05481 0.02756 -0.10847 293 2S -0.35045 -0.50094 0.00945 -0.18054 -0.16403 294 36 H 1S -0.06295 -0.03820 0.00970 0.00758 -0.19979 295 2S -0.04432 0.22049 -0.33481 0.11266 0.10873 296 37 H 1S -0.04441 -0.03496 -0.04316 0.04521 -0.07339 297 2S -0.19548 -0.42239 0.07829 -0.18356 -0.27942 298 38 H 1S 0.10601 -0.07623 -0.01520 0.00673 -0.20715 299 2S -0.02465 0.36331 -0.23774 0.03228 0.24466 300 39 H 1S 0.29851 -0.21048 0.04553 0.13192 0.03816 301 2S -0.39422 -0.11343 -0.08358 -0.46037 -0.49363 302 40 H 1S -0.04515 -0.08054 -0.05411 -0.14935 -0.19634 303 2S 0.29713 -0.43264 0.51050 0.42498 0.24207 156 157 158 159 160 V V V V V Eigenvalues -- 0.67032 0.67708 0.69463 0.70252 0.71526 1 1 C 1S 0.00658 -0.00452 0.00589 -0.00827 -0.00542 2 2S -0.05258 -0.01511 0.10192 0.17776 -0.04744 3 2PX 0.08638 -0.13404 -0.08054 -0.32727 -0.05138 4 2PY 0.10022 -0.08136 -0.03827 -0.49504 -0.01491 5 2PZ 0.16102 -0.11892 -0.06917 -0.26431 -0.07089 6 3S -0.03195 0.83356 -0.35616 -0.26186 0.24164 7 3PX -0.19623 1.02448 0.04466 1.15102 0.38922 8 3PY -0.58504 0.29325 0.20736 1.20300 -0.00637 9 3PZ -0.28387 0.38265 0.18597 0.75636 0.17031 10 4XX 0.01117 0.04772 0.00532 0.02096 0.00324 11 4YY -0.00541 -0.00185 -0.02349 -0.03395 0.03768 12 4ZZ -0.00957 -0.03318 0.03308 0.02886 -0.04471 13 4XY 0.04709 -0.01618 -0.00160 -0.03938 0.01014 14 4XZ 0.00676 -0.01867 -0.00485 0.01458 -0.00511 15 4YZ 0.00211 -0.01630 0.01060 0.04393 -0.03405 16 2 C 1S 0.00022 0.00137 -0.00175 -0.00668 0.00158 17 2S -0.11031 -0.05137 0.13016 0.09823 -0.07361 18 2PX -0.02354 0.04655 -0.08305 -0.14297 0.11821 19 2PY 0.01824 0.10662 0.03983 0.13982 -0.08244 20 2PZ 0.03597 -0.06354 0.12321 -0.06289 -0.16725 21 3S 0.01018 0.22651 -0.16675 -0.16233 0.25744 22 3PX 0.00456 -0.30320 0.49609 0.35346 -0.63647 23 3PY -0.07468 -0.50494 -0.16316 -0.82713 0.06350 24 3PZ 0.11689 0.14074 -0.20561 0.30884 0.23063 25 4XX 0.00402 0.00211 -0.01528 -0.03534 -0.01014 26 4YY 0.00829 -0.02042 0.01883 0.02232 -0.02036 27 4ZZ -0.03401 0.01379 0.01590 0.02536 0.02245 28 4XY -0.01560 0.02152 -0.01523 -0.00580 0.02332 29 4XZ -0.01117 0.01380 0.00118 0.00186 0.02327 30 4YZ 0.01631 0.00150 -0.00375 -0.00820 0.00526 31 3 C 1S -0.01105 0.00025 0.00873 0.00772 -0.00277 32 2S -0.00788 -0.01702 0.03849 -0.10714 -0.03278 33 2PX 0.02920 0.04093 0.00683 0.09712 -0.15343 34 2PY 0.08103 -0.01990 -0.01734 0.08537 -0.06680 35 2PZ -0.03369 -0.06975 0.04483 0.21621 -0.45462 36 3S -0.20518 0.01712 0.06630 0.19524 0.01677 37 3PX -0.44902 -0.31998 0.05249 -0.71905 0.41189 38 3PY -0.08313 0.09383 -0.11140 -0.13931 -0.09347 39 3PZ 0.17204 0.25704 -0.15149 -0.53181 0.99312 40 4XX -0.00550 -0.03170 0.01945 -0.01409 -0.02900 41 4YY 0.00052 0.01664 -0.00719 -0.00272 -0.00038 42 4ZZ -0.01325 0.01067 0.00751 0.01194 0.01762 43 4XY 0.00123 0.01556 -0.01647 -0.00208 0.02293 44 4XZ -0.02804 -0.01230 0.00608 -0.01599 -0.04248 45 4YZ 0.00731 -0.00711 0.00432 -0.00824 0.04304 46 4 C 1S -0.00880 -0.00349 0.00067 -0.01290 -0.00403 47 2S -0.16086 -0.02907 0.08327 0.02048 0.04089 48 2PX 0.09617 0.24577 -0.23149 0.00201 0.11334 49 2PY -0.12133 0.17102 -0.22440 -0.18492 0.16010 50 2PZ 0.07007 0.10124 -0.07327 -0.11838 0.02770 51 3S 0.47940 0.01782 -0.25934 -0.22922 -0.08762 52 3PX -0.40164 -0.78302 0.63032 -0.38409 -0.40611 53 3PY 0.56642 -0.32575 0.52528 0.54024 -0.40402 54 3PZ -0.25625 -0.28153 0.08889 0.12597 -0.06619 55 4XX 0.01920 -0.00620 0.01277 0.02508 -0.00997 56 4YY -0.00550 0.00773 -0.01196 -0.00465 0.02275 57 4ZZ -0.03546 -0.01047 0.00575 -0.03455 -0.01203 58 4XY -0.00974 0.00496 0.00903 0.02180 -0.00139 59 4XZ -0.00294 0.01300 -0.01602 0.00556 0.03991 60 4YZ -0.01260 0.00452 -0.01150 0.00681 -0.01173 61 5 C 1S 0.00724 0.00360 -0.00499 0.01088 0.00131 62 2S -0.03180 -0.04655 0.00366 -0.06957 -0.22699 63 2PX -0.03371 0.02853 -0.00348 0.00182 -0.26791 64 2PY -0.06889 0.14401 -0.02117 -0.15344 0.13621 65 2PZ 0.28806 0.16872 -0.04123 0.19725 0.09634 66 3S -0.89613 -0.16743 0.31660 -0.13344 0.69562 67 3PX 0.41673 -0.09634 -0.79686 -0.32083 1.36950 68 3PY 0.16270 0.48426 -0.17126 0.74761 -0.44827 69 3PZ -0.80545 -0.24879 0.10602 -0.67855 -0.38242 70 4XX -0.04277 -0.02089 -0.00487 -0.02686 0.00697 71 4YY -0.00946 0.03564 0.01390 0.02606 -0.01904 72 4ZZ 0.02823 -0.02099 -0.01025 -0.00708 -0.00789 73 4XY -0.02130 -0.00799 -0.01199 0.01106 0.00777 74 4XZ 0.02639 0.03420 -0.01761 0.00404 0.04255 75 4YZ 0.00829 0.01496 0.00190 0.00951 0.01056 76 6 C 1S -0.00806 -0.00239 0.00305 -0.00031 0.00724 77 2S -0.05506 0.07408 -0.01061 -0.06308 -0.06526 78 2PX -0.07949 -0.22219 -0.12001 -0.11343 -0.01401 79 2PY -0.34599 0.15113 0.05564 0.12872 0.09058 80 2PZ 0.07117 0.21518 -0.11773 0.03035 0.17552 81 3S 0.29154 -0.30814 0.20308 0.95097 0.05027 82 3PX 0.34998 1.36966 -0.23436 0.88570 0.15444 83 3PY 1.46678 -0.80506 -0.88113 -1.23102 0.08540 84 3PZ -0.24815 -0.77259 0.48952 -0.02088 -0.39733 85 4XX -0.01893 0.02120 -0.00310 0.00929 -0.02474 86 4YY -0.00505 -0.02618 0.01127 0.02265 0.01647 87 4ZZ 0.00961 0.00997 -0.00176 -0.01663 0.01194 88 4XY -0.00204 -0.01700 -0.00109 0.02430 -0.00671 89 4XZ -0.01508 -0.00860 0.02177 -0.00907 -0.00767 90 4YZ 0.02191 -0.01971 0.01036 -0.01500 -0.02358 91 7 C 1S 0.02730 -0.00163 -0.01870 -0.00561 -0.00398 92 2S -0.10560 -0.17094 0.14168 0.31838 0.00448 93 2PX 0.05564 0.03363 -0.37211 -0.16864 -0.04546 94 2PY -0.04092 -0.01527 -0.10143 -0.00135 0.09432 95 2PZ -0.01798 -0.17165 0.05307 0.04623 0.12747 96 3S 1.05792 -0.23349 -0.39117 -1.23273 0.08299 97 3PX 0.03165 -0.47442 1.61601 0.59923 -0.05488 98 3PY 0.48757 -0.28371 -0.30072 -0.91665 -0.16674 99 3PZ 0.40201 0.64873 -0.12774 0.20722 -0.07315 100 4XX 0.02458 -0.02566 -0.01155 0.01488 0.00334 101 4YY 0.00173 -0.00870 -0.00552 0.00113 0.00641 102 4ZZ 0.00445 -0.00767 0.01972 0.01606 -0.02015 103 4XY -0.00792 0.04313 -0.02508 0.00935 0.00283 104 4XZ 0.01855 -0.02587 0.00735 0.04362 0.01901 105 4YZ -0.00870 0.00312 0.01892 0.01691 0.00195 106 8 C 1S 0.00735 0.00127 0.01292 0.00519 -0.00895 107 2S 0.06002 -0.14168 -0.13865 -0.01046 0.00160 108 2PX -0.32875 0.06302 -0.09469 -0.04731 0.00202 109 2PY 0.16838 0.07934 -0.26134 -0.07800 0.04185 110 2PZ 0.18152 -0.08987 -0.16238 0.08276 0.24225 111 3S 0.22585 1.06539 -0.17369 -0.09874 -0.03619 112 3PX 1.15796 -0.11371 0.86251 0.45268 0.05247 113 3PY -0.38281 0.01340 1.03935 0.50500 -0.16492 114 3PZ -0.60432 -0.35453 0.33057 -0.17141 -0.38367 115 4XX 0.00011 -0.01789 -0.05056 0.01078 0.01590 116 4YY 0.05040 0.00615 -0.02187 0.03412 0.01904 117 4ZZ -0.03140 0.01985 0.05937 -0.03940 -0.04247 118 4XY 0.00380 -0.01031 0.04042 -0.01555 -0.00108 119 4XZ -0.01072 -0.03057 -0.00649 -0.03248 -0.00652 120 4YZ -0.00002 -0.05420 -0.02490 0.04951 0.00362 121 9 C 1S 0.00168 0.00685 -0.00726 0.00713 -0.00418 122 2S 0.04143 0.02146 0.00145 0.03151 -0.02899 123 2PX -0.12192 -0.17272 -0.31542 0.17583 0.11208 124 2PY -0.38838 -0.31041 -0.05088 -0.13086 0.07254 125 2PZ 0.02424 -0.33284 0.19869 0.02930 0.18890 126 3S -0.02756 -0.19392 -0.34864 -0.68411 -0.17702 127 3PX -0.12689 0.65585 1.29504 -0.43088 -0.29872 128 3PY 1.19796 1.05587 0.04663 0.58363 -0.09224 129 3PZ -0.20723 0.47913 -0.74608 -0.19882 -0.29830 130 4XX -0.00189 0.03418 0.04167 -0.03932 0.01719 131 4YY 0.01004 0.01134 -0.01780 -0.00403 -0.00902 132 4ZZ -0.00233 -0.04513 -0.03988 0.03670 -0.01505 133 4XY -0.01811 0.02464 -0.00041 -0.00798 -0.00812 134 4XZ 0.00121 0.03562 0.02409 -0.00317 -0.01942 135 4YZ -0.00960 0.00515 0.01742 0.00353 -0.01165 136 10 C 1S 0.00088 -0.00099 -0.00657 -0.00155 -0.00828 137 2S -0.12503 -0.02834 -0.12436 0.04387 0.03794 138 2PX 0.04522 0.18225 -0.13030 0.13283 -0.16958 139 2PY -0.23051 0.21835 -0.02468 -0.13809 -0.08773 140 2PZ 0.07577 0.10130 -0.15232 -0.05176 -0.17473 141 3S -0.15574 0.25083 0.79789 -0.35275 -1.06223 142 3PX -0.25072 -0.44728 0.08043 -0.55713 1.02524 143 3PY 0.51933 -0.53181 0.28808 0.42252 0.13538 144 3PZ -0.53156 -0.10200 0.50578 0.25740 0.16285 145 4XX 0.00060 0.00402 0.02471 0.01276 -0.03375 146 4YY -0.02053 -0.03991 -0.00501 0.01580 -0.00270 147 4ZZ -0.00831 0.03240 -0.01564 -0.02707 0.00037 148 4XY 0.03612 0.03415 0.01465 0.02549 0.03037 149 4XZ 0.00857 -0.00490 -0.02760 0.01601 0.00299 150 4YZ 0.01198 -0.00584 -0.02623 0.00572 -0.01145 151 11 C 1S -0.00536 0.01435 -0.00219 -0.00227 -0.00537 152 2S -0.10998 -0.02916 -0.09916 0.03655 -0.06468 153 2PX -0.13847 0.20035 -0.06929 -0.03723 0.05714 154 2PY -0.04335 -0.00934 0.06156 0.13306 0.17510 155 2PZ -0.10763 0.18151 0.13900 0.06529 0.28132 156 3S -0.04983 0.12381 0.08233 0.04783 0.05158 157 3PX 0.46666 -0.47844 0.20974 0.25821 -0.00070 158 3PY 0.32731 0.31217 0.58714 -0.62565 -0.05475 159 3PZ 0.29253 -0.36184 -0.45033 -0.24167 -0.82086 160 4XX -0.02266 -0.02866 -0.01970 0.02252 0.00961 161 4YY -0.01161 0.04029 0.02019 -0.02749 -0.00481 162 4ZZ 0.00637 -0.00152 -0.01918 0.01486 -0.01319 163 4XY -0.00520 0.01700 -0.00563 0.00543 -0.01284 164 4XZ -0.01323 -0.01285 -0.02976 -0.00988 -0.01600 165 4YZ -0.01237 0.01062 -0.00497 -0.03553 0.00158 166 12 H 1S -0.12459 -0.01486 -0.18168 0.05020 -0.07934 167 2S 0.08130 -0.28869 -0.31509 0.14475 -0.28786 168 13 H 1S -0.08237 0.08144 -0.14830 -0.10626 -0.17907 169 2S -0.24670 0.01091 -0.01651 0.33991 0.38086 170 14 C 1S -0.00865 -0.00094 -0.01912 -0.00144 -0.00489 171 2S -0.00749 0.08447 0.01150 0.02789 -0.01641 172 2PX 0.17123 0.16539 0.19700 -0.12923 -0.07320 173 2PY 0.02155 0.21133 0.27017 -0.14618 0.00218 174 2PZ 0.05489 0.07413 0.06899 -0.10221 -0.16868 175 3S -0.10154 -0.14301 -0.23944 -0.00641 -0.18590 176 3PX -0.46473 -0.67761 -0.57792 0.58917 0.45337 177 3PY -0.10681 -0.62022 -0.75849 0.25703 -0.06741 178 3PZ -0.30797 0.23897 -0.33977 0.33190 0.20399 179 4XX -0.00761 0.03489 0.01484 -0.03150 0.01406 180 4YY 0.01757 0.01814 -0.00216 0.02648 -0.00961 181 4ZZ -0.01865 -0.03821 -0.03010 0.00775 -0.01470 182 4XY 0.00193 0.02794 -0.00004 -0.01658 -0.00597 183 4XZ -0.00880 -0.00286 -0.00314 0.00540 0.00751 184 4YZ -0.01699 0.00541 -0.00640 -0.01331 -0.01025 185 15 H 1S -0.07869 0.20353 -0.15914 -0.00615 -0.08619 186 2S 0.06804 0.42883 0.44431 -0.21294 -0.07391 187 16 H 1S -0.13077 0.00884 -0.15987 -0.05152 -0.15939 188 2S -0.12741 -0.05296 -0.34908 0.28855 0.18726 189 17 C 1S 0.00096 0.00892 -0.00810 0.00420 -0.01436 190 2S -0.08260 -0.03094 -0.08147 -0.00916 0.03640 191 2PX -0.08087 -0.06595 0.03751 -0.03435 0.13772 192 2PY -0.06136 -0.07545 -0.24283 0.24447 -0.05034 193 2PZ 0.17591 0.06109 0.10153 0.03973 -0.05232 194 3S -0.07417 0.17186 -0.16028 0.06770 -0.18955 195 3PX 0.69319 0.14803 0.37280 0.13956 -0.31519 196 3PY 0.34396 0.16081 0.92460 -0.92603 0.08681 197 3PZ -0.45279 -0.17469 -0.20428 0.08014 0.21689 198 4XX -0.00179 0.01842 -0.00299 0.00357 -0.01517 199 4YY -0.02866 -0.02398 -0.03014 -0.00313 0.00117 200 4ZZ 0.00833 0.00968 0.00553 0.00249 0.00472 201 4XY -0.02035 0.02843 -0.00323 0.00370 0.00600 202 4XZ 0.02755 -0.01143 0.00197 0.01340 -0.01504 203 4YZ -0.00330 0.00855 -0.01161 -0.00270 -0.01753 204 18 C 1S 0.00055 0.00714 -0.00348 -0.00080 -0.00162 205 2S -0.06656 -0.12640 -0.14776 0.06331 -0.08122 206 2PX -0.13730 0.02924 -0.24036 0.19700 -0.02922 207 2PY -0.18850 0.17307 -0.19671 0.01135 -0.07974 208 2PZ 0.16332 -0.19911 -0.08665 0.12598 -0.08503 209 3S 0.72416 0.48796 0.15988 -0.09903 0.11495 210 3PX 0.21929 -0.13409 1.13781 -0.94013 0.15547 211 3PY 0.67359 -0.59807 -0.01364 0.23271 -0.13150 212 3PZ -0.25200 0.46705 -0.00229 -0.13143 0.27713 213 4XX 0.01823 -0.04037 -0.03391 0.02793 0.01582 214 4YY -0.01300 0.02980 0.01744 -0.02422 0.00540 215 4ZZ 0.01008 -0.00045 -0.00813 0.00534 -0.03382 216 4XY 0.00872 0.01335 0.03264 -0.02061 0.00009 217 4XZ -0.01252 -0.02612 -0.01459 0.01471 -0.00412 218 4YZ -0.01412 0.01545 -0.01009 -0.00759 0.00945 219 19 H 1S 0.01637 0.10700 -0.10430 0.01314 -0.10157 220 2S 0.12460 -0.12584 0.07493 -0.04606 0.07003 221 20 H 1S 0.04686 -0.05129 -0.13554 0.12613 -0.12848 222 2S 0.17519 -0.34044 -0.28483 0.30324 -0.13498 223 21 H 1S -0.04183 0.08626 -0.12351 0.01170 -0.13403 224 2S -0.04917 -0.03163 -0.22502 0.17791 -0.01760 225 22 H 1S -0.09946 0.05770 -0.17175 0.00001 -0.12252 226 2S -0.30372 -0.07552 0.01671 -0.24820 0.28615 227 23 H 1S -0.00096 0.07902 -0.15477 -0.04541 -0.17012 228 2S -0.19096 -0.25117 0.33956 0.25125 0.34480 229 24 H 1S 0.02495 0.12816 -0.11877 0.06932 -0.18723 230 2S -0.20704 -0.54589 0.12725 0.00211 0.34423 231 25 H 1S 0.19272 0.02132 -0.06331 0.23509 -0.02533 232 2S -0.60598 -0.19902 0.67866 -0.15072 -0.26303 233 26 H 1S -0.08919 0.14266 0.32171 -0.12467 -0.20143 234 2S 0.41762 -0.09658 -0.53384 0.31597 0.43201 235 27 H 1S 0.14764 0.09095 -0.13617 -0.17420 -0.10906 236 2S -0.10416 -0.62770 0.79069 0.17662 0.02881 237 28 Br 1S 0.00150 0.00023 0.00013 -0.00154 0.00211 238 2S -0.00979 0.00061 0.00038 0.00804 -0.01264 239 3S 0.01133 -0.00497 -0.00336 -0.00566 0.01232 240 4S 0.02377 0.00580 0.00527 -0.02469 0.03501 241 5S -0.38193 0.19967 0.07197 0.19662 0.01565 242 6S 0.89687 -0.46888 -0.14606 -0.34988 -0.21967 243 7PX -0.01493 0.00504 0.00306 0.00180 0.00736 244 7PY 0.01873 0.00823 -0.00946 -0.00180 -0.00890 245 7PZ -0.00872 -0.00027 0.00713 0.00207 -0.00731 246 8PX 0.04863 -0.01675 -0.01025 -0.00620 -0.02409 247 8PY -0.06111 -0.02701 0.03075 0.00586 0.02895 248 8PZ 0.02867 0.00071 -0.02346 -0.00702 0.02387 249 9PX -0.18482 0.07904 0.05874 0.04384 0.09767 250 9PY 0.22805 0.12337 -0.11337 -0.01723 -0.10188 251 9PZ -0.13563 0.01183 0.09645 0.04047 -0.08623 252 10PX 0.26272 -0.10542 -0.19580 -0.13529 -0.17022 253 10PY -0.15862 -0.34534 0.14468 -0.06637 0.04784 254 10PZ 0.49082 -0.05927 -0.06598 -0.08988 0.00264 255 11XX -0.00333 -0.01864 0.00913 -0.01624 -0.00527 256 11YY 0.04160 0.03795 -0.01484 0.00460 0.00019 257 11ZZ -0.05302 -0.01065 0.01058 0.01631 -0.00999 258 11XY -0.00141 0.03413 0.00743 0.02999 0.01015 259 11XZ -0.01415 0.01481 0.02848 0.01446 0.00679 260 11YZ -0.00374 0.01663 -0.00166 -0.00530 -0.01413 261 12XX -0.14403 0.22013 -0.01644 0.13812 0.04634 262 12YY -0.34933 -0.12857 0.12449 -0.00161 0.00126 263 12ZZ 0.17883 0.16809 0.02960 -0.01611 0.04879 264 12XY 0.00309 -0.18235 -0.04573 -0.16214 -0.05431 265 12XZ 0.07868 -0.06366 -0.17331 -0.08376 -0.04429 266 12YZ 0.06025 -0.12302 0.01341 0.01233 0.05785 267 29 C 1S -0.00361 0.00895 0.00369 -0.00747 -0.01092 268 2S -0.16190 0.05608 -0.05164 -0.11632 0.03916 269 2PX 0.02368 0.10994 -0.05863 0.15544 0.30523 270 2PY -0.10881 0.19076 0.15989 0.05714 -0.09557 271 2PZ 0.11935 -0.13884 -0.09491 -0.08145 0.03925 272 3S 0.70600 -0.21862 0.04337 0.43679 0.17480 273 3PX -0.10688 -0.32645 0.34543 -0.35084 -0.99137 274 3PY 0.32864 -0.51253 -0.32340 -0.35074 0.29881 275 3PZ -0.35561 0.23281 0.14529 0.36864 -0.05674 276 4XX -0.04918 -0.02509 0.00762 -0.02603 0.01605 277 4YY 0.01993 -0.02291 -0.02127 -0.03295 -0.00765 278 4ZZ 0.01657 0.05633 0.00843 0.04204 -0.00718 279 4XY 0.00720 -0.03918 -0.01656 -0.01354 -0.07138 280 4XZ 0.01193 0.01377 0.02624 0.00839 -0.05019 281 4YZ 0.01056 -0.00939 -0.01405 -0.00908 0.05150 282 30 H 1S -0.15863 0.06106 0.03181 -0.08719 0.22344 283 2S -0.07507 -0.02939 0.22729 -0.13521 -0.98845 284 31 H 1S 0.02550 0.25358 0.10780 0.06727 -0.20653 285 2S 0.11868 -0.34778 -0.34338 -0.46331 0.48154 286 32 H 1S -0.09404 -0.08551 -0.09342 -0.15801 -0.23390 287 2S -0.24678 0.63034 0.11685 0.39530 0.47303 288 33 H 1S -0.20983 0.00740 -0.04570 -0.19741 -0.04017 289 2S 0.07500 -0.22475 0.28147 0.32745 -0.05589 290 34 H 1S -0.11874 0.01613 0.07399 0.01799 -0.03555 291 2S -0.29812 0.33485 -0.39077 -0.16416 0.32352 292 35 H 1S -0.06641 0.02966 0.05585 -0.04555 0.22406 293 2S -0.07020 -0.16161 0.09713 0.24426 -0.55121 294 36 H 1S -0.19629 -0.02037 0.08766 0.01444 -0.14017 295 2S 0.10673 0.02170 -0.06530 -0.43532 0.79131 296 37 H 1S -0.00270 0.01362 0.07742 0.02612 0.02463 297 2S 0.01583 -0.15496 -0.14063 -0.11176 0.01768 298 38 H 1S 0.01514 -0.06804 0.06463 -0.08437 -0.10266 299 2S -0.11062 -0.05026 0.40369 0.45629 -0.32668 300 39 H 1S -0.01186 -0.07373 0.07879 0.15295 -0.16492 301 2S 0.33164 -0.18330 -0.18775 -0.89521 0.15001 302 40 H 1S 0.16937 -0.01318 -0.03365 -0.30194 0.10002 303 2S -0.42474 0.31286 0.25914 1.28533 -0.13262 161 162 163 164 165 V V V V V Eigenvalues -- 0.71869 0.72283 0.73498 0.74098 0.74537 1 1 C 1S 0.00695 -0.00798 0.00155 0.01540 -0.00750 2 2S 0.04681 0.24872 -0.13406 0.05435 0.00447 3 2PX -0.04020 -0.06324 0.05621 0.11238 0.03640 4 2PY 0.03879 0.20115 0.02970 0.25852 0.09734 5 2PZ 0.02567 0.21971 0.08929 0.18177 0.12359 6 3S -0.22316 -0.75922 0.34270 -0.64725 -0.03700 7 3PX 0.10498 0.24177 -0.26891 -0.79959 -0.11467 8 3PY -0.33020 -0.93705 0.13120 -0.54492 -0.02322 9 3PZ -0.11017 -0.13599 -0.36939 -0.42588 -0.20913 10 4XX 0.01200 0.05156 -0.01566 -0.00691 -0.01834 11 4YY 0.00251 -0.01547 0.03367 0.02834 0.01996 12 4ZZ 0.00006 -0.00960 -0.03285 -0.00860 -0.00712 13 4XY 0.01810 0.04498 -0.02427 0.03617 -0.00945 14 4XZ -0.00078 0.01706 0.01234 -0.01499 -0.00690 15 4YZ -0.00813 -0.06113 0.02179 -0.00769 -0.01673 16 2 C 1S 0.00106 -0.00488 -0.00342 0.00857 -0.00263 17 2S -0.08942 -0.05248 0.00898 0.00419 -0.15363 18 2PX 0.08957 0.06980 -0.31099 0.08198 0.01500 19 2PY -0.03490 -0.01959 0.26876 0.01947 -0.04395 20 2PZ -0.08902 -0.12752 0.36939 0.07597 -0.05634 21 3S 0.18142 0.32944 -0.29671 -0.15029 0.34291 22 3PX -0.29750 -0.32924 0.61378 0.12127 -0.19219 23 3PY 0.01948 -0.12283 -0.35899 0.13531 0.20276 24 3PZ 0.27965 0.61439 -0.92868 -0.19814 -0.08968 25 4XX 0.01820 0.01706 -0.07639 0.01433 0.00356 26 4YY -0.00581 0.00907 0.02446 -0.01413 -0.01827 27 4ZZ -0.02367 -0.02710 0.03569 0.00126 -0.00794 28 4XY -0.00598 0.00757 0.03891 -0.02691 0.00247 29 4XZ 0.00521 0.02879 0.02854 -0.02886 -0.00279 30 4YZ -0.00253 -0.03537 0.05107 0.01478 -0.01008 31 3 C 1S -0.00467 -0.01737 -0.00344 0.01022 -0.00447 32 2S 0.01172 0.06550 -0.01563 -0.00436 0.06795 33 2PX 0.01999 0.08633 -0.04489 -0.03043 -0.12817 34 2PY 0.04030 0.09761 -0.03093 -0.16245 0.05352 35 2PZ -0.06211 0.14629 -0.07911 -0.39526 -0.22407 36 3S -0.15486 -0.16997 -0.01009 -0.03842 -0.29711 37 3PX -0.17701 -0.45022 0.12160 0.09873 0.34661 38 3PY -0.07628 -0.18953 0.02328 0.05488 0.12250 39 3PZ 0.22459 -0.34703 0.25317 0.76117 0.55657 40 4XX -0.00688 0.00581 -0.00736 -0.01473 0.00788 41 4YY 0.00607 0.01230 -0.01032 0.01955 0.00054 42 4ZZ -0.00381 -0.02806 0.01220 -0.00073 -0.00520 43 4XY 0.00413 0.02090 -0.00973 -0.01396 0.01324 44 4XZ -0.00702 0.00022 -0.01460 -0.01283 -0.00940 45 4YZ -0.00753 -0.03636 -0.00906 0.07238 0.02393 46 4 C 1S -0.00268 -0.00159 0.00541 0.00490 -0.01028 47 2S -0.08052 -0.08398 -0.13477 0.13768 -0.01784 48 2PX 0.12216 0.15128 -0.13755 -0.15578 0.10997 49 2PY 0.05959 -0.20155 -0.32696 -0.24043 0.27810 50 2PZ 0.09702 -0.17521 -0.08345 -0.13805 0.04201 51 3S -0.02256 0.03213 -0.02222 -0.18402 -0.29443 52 3PX -0.48866 -0.39076 0.35427 0.28797 -0.42678 53 3PY 0.15158 0.66078 0.91700 0.58957 -0.72240 54 3PZ -0.32451 0.40162 0.05162 0.29836 -0.33033 55 4XX -0.00711 -0.00219 -0.00398 0.02311 -0.00874 56 4YY 0.01272 0.02538 0.03718 0.00792 -0.03015 57 4ZZ -0.02693 -0.04234 -0.06053 -0.00496 0.00946 58 4XY 0.00586 0.00014 0.06213 0.01422 -0.01564 59 4XZ -0.01137 -0.01717 -0.02120 0.01156 0.00959 60 4YZ 0.01248 -0.00742 -0.04506 -0.02069 0.04071 61 5 C 1S 0.00693 -0.00140 -0.00519 0.00460 -0.00022 62 2S -0.07233 -0.06848 -0.11804 0.12871 -0.12830 63 2PX 0.00384 0.08968 -0.01266 -0.01844 -0.05365 64 2PY 0.06228 -0.02453 0.06568 0.00201 -0.18470 65 2PZ 0.33209 0.12161 0.12998 -0.04580 0.04387 66 3S -0.20118 -0.07380 0.90037 -0.10326 0.60402 67 3PX 0.16269 0.18073 0.13919 -0.05720 0.21210 68 3PY -0.02469 0.10061 -0.44901 -0.40088 0.84050 69 3PZ -1.05383 -0.53870 -0.73806 -0.12923 0.00466 70 4XX -0.01917 -0.00154 0.03364 -0.00101 -0.00408 71 4YY 0.00257 -0.00614 -0.02502 0.02507 0.04046 72 4ZZ 0.01326 -0.00348 -0.00444 0.00488 -0.05087 73 4XY 0.00622 -0.02746 0.00385 0.01895 -0.00407 74 4XZ 0.01500 0.00228 0.00352 0.02177 -0.01137 75 4YZ 0.02993 0.01521 0.02602 -0.00657 -0.00302 76 6 C 1S -0.01027 0.00060 -0.00634 0.00280 -0.00264 77 2S 0.03072 0.06868 -0.04325 0.18053 -0.15536 78 2PX -0.05761 -0.00048 0.02646 0.08368 0.10419 79 2PY -0.11227 -0.25186 0.00656 0.01152 0.12668 80 2PZ 0.07887 0.10387 0.00100 -0.00801 -0.00180 81 3S -0.14510 -0.70912 -0.28241 -0.20407 1.03356 82 3PX 0.12489 -0.05852 -0.05685 -1.06368 0.01795 83 3PY 0.77988 1.45285 0.06713 0.22776 -0.69802 84 3PZ -0.05736 -0.37650 0.19497 0.24597 0.03514 85 4XX -0.00802 -0.01949 -0.00185 0.01219 -0.00077 86 4YY -0.02945 0.00043 -0.03472 0.02542 -0.00975 87 4ZZ 0.01852 0.00973 0.01139 -0.00404 0.01517 88 4XY 0.00027 -0.02407 0.00600 0.00354 0.01987 89 4XZ -0.01230 -0.03279 0.01822 0.00204 0.00061 90 4YZ -0.02159 -0.00576 -0.00036 0.00034 -0.05661 91 7 C 1S 0.00157 -0.01182 0.00967 -0.01007 -0.01049 92 2S -0.05291 0.24625 -0.32483 0.36808 -0.02789 93 2PX -0.01253 -0.20555 0.19169 -0.17147 -0.02060 94 2PY -0.16066 -0.24612 0.03894 -0.21736 -0.02573 95 2PZ -0.00419 0.28565 -0.13170 0.21563 -0.07545 96 3S 0.54261 0.06956 0.55314 -0.60364 -0.30199 97 3PX -0.03688 0.03215 -0.56340 0.62203 0.34084 98 3PY 0.37212 1.08450 0.13381 0.73293 -0.44439 99 3PZ -0.50777 -0.91058 0.10986 -0.69421 0.30927 100 4XX 0.01542 -0.01802 -0.00236 0.00048 -0.00554 101 4YY 0.01739 0.04837 -0.01035 0.02137 -0.01168 102 4ZZ -0.02010 0.00902 -0.02211 0.02148 -0.00895 103 4XY -0.02141 -0.04269 0.03333 -0.04496 -0.03353 104 4XZ -0.00569 0.04813 -0.04645 0.03489 -0.03251 105 4YZ 0.02168 0.00880 -0.00113 0.03179 0.05437 106 8 C 1S -0.00200 0.00363 -0.00858 0.01155 0.00135 107 2S 0.07581 0.04930 -0.07102 0.06993 -0.16966 108 2PX -0.01662 0.13625 -0.02749 0.08640 -0.01654 109 2PY -0.43170 -0.08130 0.05188 -0.07589 -0.12878 110 2PZ -0.73936 0.12241 -0.19769 0.01762 -0.19687 111 3S -0.11200 -0.28856 0.16343 -0.20991 0.07580 112 3PX 0.02858 -0.58268 -0.27153 -0.12825 0.27857 113 3PY 0.87386 -0.06912 -0.45207 0.30320 0.33318 114 3PZ 2.04816 -0.02142 0.50267 -0.06656 0.03191 115 4XX 0.00535 0.00967 -0.02119 0.01021 -0.03148 116 4YY -0.04023 0.01633 0.00421 -0.01022 -0.06167 117 4ZZ 0.04330 -0.01620 -0.00980 0.02533 0.05733 118 4XY 0.00984 0.00445 -0.02170 0.01413 0.01223 119 4XZ 0.01557 -0.01650 0.03406 -0.01803 0.02897 120 4YZ -0.03469 0.03572 -0.01541 0.01997 0.01967 121 9 C 1S -0.00454 -0.00768 -0.00157 0.00964 0.01028 122 2S 0.11373 0.00039 -0.11563 0.07467 -0.26061 123 2PX 0.08238 0.12764 0.04080 -0.04977 -0.00782 124 2PY 0.13887 0.05639 0.05479 -0.20778 -0.17326 125 2PZ 0.25378 0.01345 -0.04825 -0.23341 -0.23419 126 3S -0.16398 0.36004 0.29910 -0.30048 0.19667 127 3PX -0.24217 -0.19291 -0.33050 0.40110 -0.09664 128 3PY -0.60871 -0.18438 -0.48438 0.25475 0.56971 129 3PZ -1.19563 0.13961 0.35429 0.42542 0.78678 130 4XX -0.01801 0.02867 -0.00218 -0.00564 -0.02932 131 4YY 0.01616 -0.03720 -0.03200 0.00400 -0.01790 132 4ZZ 0.02404 0.01537 0.01414 0.01177 0.00540 133 4XY 0.00730 0.00530 0.00936 0.00939 -0.01402 134 4XZ -0.00029 -0.00070 -0.00517 0.02099 0.03050 135 4YZ 0.00620 -0.01587 0.01271 0.02212 0.03449 136 10 C 1S -0.00201 0.00258 -0.00254 -0.00338 0.00231 137 2S 0.15298 0.01103 0.13189 0.15671 -0.05316 138 2PX 0.07516 0.00265 -0.14770 0.11614 -0.07848 139 2PY 0.04306 0.06069 0.04008 -0.08150 -0.07097 140 2PZ -0.00322 0.12243 -0.04918 -0.18963 0.13011 141 3S -1.03167 -0.06393 -0.51599 -0.15511 0.11877 142 3PX -0.21232 0.42578 0.93302 -0.20509 0.05713 143 3PY 0.09107 -0.11000 -0.31949 0.17025 -0.25725 144 3PZ 0.33451 -0.29315 0.30870 0.64589 -0.44267 145 4XX 0.00996 0.00141 0.01534 0.00952 -0.01912 146 4YY 0.00796 0.00809 0.01827 0.01691 0.02116 147 4ZZ -0.02391 0.00303 -0.02846 -0.00050 -0.00460 148 4XY 0.01471 -0.00582 -0.01556 0.01786 -0.00985 149 4XZ 0.02740 -0.03596 0.01069 0.01743 -0.02200 150 4YZ 0.00824 -0.01630 0.00331 -0.00272 -0.00599 151 11 C 1S 0.00306 0.00665 0.00267 0.01026 -0.01670 152 2S 0.07328 -0.12099 -0.06994 0.11746 -0.06500 153 2PX 0.08156 0.16727 0.17998 0.02700 -0.18709 154 2PY 0.03323 -0.03722 -0.10605 -0.06127 0.12539 155 2PZ -0.05625 0.28513 0.26266 -0.01814 0.05601 156 3S -0.11718 0.32201 0.21697 -0.16867 0.44635 157 3PX -0.21461 -0.16922 -0.52090 -0.01681 0.44139 158 3PY -0.39926 0.26728 0.26052 -0.14909 -0.34797 159 3PZ 0.14753 -0.69696 -0.59392 -0.07689 -0.13443 160 4XX 0.01592 0.01218 0.00765 -0.00140 0.01465 161 4YY -0.01048 0.00825 0.01151 0.01074 -0.01304 162 4ZZ 0.01296 -0.03341 -0.02200 0.01997 -0.01138 163 4XY 0.00674 -0.01348 -0.03921 0.00191 -0.00436 164 4XZ -0.01422 0.00810 0.00663 0.00064 -0.00091 165 4YZ -0.02675 0.01182 -0.05469 -0.03257 0.00848 166 12 H 1S 0.07412 0.03113 0.20264 0.17215 -0.12865 167 2S 0.15501 -0.39523 -0.64430 -0.04140 0.10238 168 13 H 1S -0.01845 -0.03687 -0.19345 0.03420 -0.11498 169 2S 0.19437 0.22291 0.42516 0.15335 0.03425 170 14 C 1S 0.00120 0.00362 0.00657 0.00831 -0.00400 171 2S 0.03086 -0.03982 -0.07023 0.08025 -0.12696 172 2PX 0.02450 -0.11880 -0.14455 -0.05666 -0.22828 173 2PY -0.06591 0.10593 -0.10461 -0.09163 -0.26287 174 2PZ -0.02025 -0.01543 -0.02549 0.09829 -0.19754 175 3S 0.03193 0.09631 0.31004 -0.02294 0.09836 176 3PX -0.06290 0.50338 0.50115 0.02966 0.97437 177 3PY 0.22079 -0.40240 0.26745 0.11019 0.54641 178 3PZ 0.08918 0.08487 -0.03846 0.08957 0.12337 179 4XX -0.00670 0.00428 -0.00065 -0.01226 -0.01736 180 4YY -0.00552 -0.01227 -0.01419 0.03106 0.00502 181 4ZZ 0.01781 0.00328 0.01543 0.00274 -0.01289 182 4XY -0.02052 0.00384 -0.00490 0.01630 0.01007 183 4XZ 0.00019 -0.00451 -0.02103 -0.01695 -0.00956 184 4YZ -0.00385 0.01504 -0.00476 -0.00709 -0.03472 185 15 H 1S -0.02654 0.01463 -0.00940 0.20149 -0.02481 186 2S 0.04099 -0.00782 -0.34652 -0.15632 -0.70326 187 16 H 1S 0.01263 0.05773 -0.00154 0.08313 -0.24355 188 2S 0.06114 -0.07720 0.08447 0.09703 0.46990 189 17 C 1S 0.00159 -0.00511 -0.00815 0.01483 -0.00422 190 2S 0.05150 0.07794 0.09662 -0.06724 -0.06388 191 2PX -0.07862 0.08693 0.14166 -0.20222 0.08693 192 2PY 0.12306 -0.16471 -0.17996 0.06603 0.07830 193 2PZ 0.08248 -0.25163 -0.29606 0.02588 -0.02218 194 3S -0.04810 -0.16857 -0.20193 0.28172 -0.04197 195 3PX 0.13381 -0.60216 -0.60691 0.37046 -0.08151 196 3PY -0.31997 0.22277 0.37257 -0.31118 -0.38394 197 3PZ -0.25821 0.75133 0.72986 -0.04406 0.26984 198 4XX 0.01579 -0.00854 -0.02447 0.02508 -0.00790 199 4YY 0.00437 0.00042 0.01376 -0.02126 -0.01016 200 4ZZ -0.00928 0.01425 0.01573 -0.00073 0.00401 201 4XY -0.01078 0.00965 0.01018 0.00182 -0.02056 202 4XZ 0.00484 -0.02914 0.00232 0.01879 -0.01075 203 4YZ -0.01173 0.01286 -0.00354 0.02331 -0.00667 204 18 C 1S 0.00038 0.01136 -0.00013 0.00954 -0.01160 205 2S 0.13296 -0.08212 0.03649 0.10671 0.00052 206 2PX -0.02328 0.04947 0.04880 0.08666 0.12697 207 2PY -0.08321 0.10832 0.00991 0.09073 -0.10068 208 2PZ -0.11930 -0.05605 0.17116 0.05938 0.36394 209 3S -0.50747 -0.03375 -0.17207 -0.22913 0.08482 210 3PX 0.18784 -0.08638 -0.05866 -0.41841 -0.61680 211 3PY 0.26410 -0.54896 -0.11120 0.06755 0.24052 212 3PZ 0.43098 0.08916 -0.38573 -0.27521 -0.82478 213 4XX 0.01305 -0.02016 0.01682 -0.01305 0.01584 214 4YY 0.00107 0.01946 -0.01049 0.00060 -0.01822 215 4ZZ 0.00407 -0.01297 -0.00532 0.03146 -0.00338 216 4XY -0.01403 -0.01082 0.00594 -0.00749 0.01212 217 4XZ 0.02687 0.00715 0.00571 0.00411 0.00189 218 4YZ -0.04303 0.03314 0.02150 -0.00092 0.04717 219 19 H 1S -0.11504 0.12169 0.08536 0.15661 0.12235 220 2S 0.46190 -0.27108 -0.23850 -0.15339 -0.52579 221 20 H 1S 0.16504 -0.02281 -0.10982 0.17937 -0.21723 222 2S -0.25950 -0.13982 0.24540 0.18994 0.75263 223 21 H 1S -0.05707 0.07787 0.07669 0.17764 -0.10937 224 2S 0.23298 -0.29339 -0.35512 -0.08139 0.08261 225 22 H 1S 0.06727 0.05068 -0.08030 0.15337 -0.04134 226 2S -0.22666 0.50334 0.68725 -0.36816 -0.04625 227 23 H 1S -0.02251 -0.09965 -0.08282 0.05085 -0.05099 228 2S 0.26888 -0.02592 0.23596 0.38269 -0.21307 229 24 H 1S 0.03262 -0.08494 0.07691 0.19868 0.18781 230 2S 0.64146 0.04413 -0.06029 -0.42760 -0.74111 231 25 H 1S -0.29273 0.09881 -0.06189 0.09801 -0.09740 232 2S 1.26586 -0.01522 -0.10742 0.22777 0.28942 233 26 H 1S 0.19967 -0.10335 -0.02111 0.10636 0.30273 234 2S -1.39680 0.27562 -0.37077 0.05220 -0.43890 235 27 H 1S -0.06410 -0.29855 0.23109 -0.27270 -0.12246 236 2S 0.30676 1.07068 -0.60718 1.25756 0.06763 237 28 Br 1S -0.00399 -0.00008 -0.00022 -0.00028 -0.00058 238 2S 0.02216 0.00428 0.00002 0.00314 0.00406 239 3S -0.01740 -0.01340 0.00349 -0.00720 -0.00505 240 4S -0.06947 0.00605 -0.00780 0.00079 -0.00972 241 5S 0.13134 0.21033 -0.10115 0.15022 0.15246 242 6S -0.07869 -0.52993 0.24361 -0.34052 -0.29699 243 7PX -0.00122 -0.00508 -0.00161 -0.00421 -0.00251 244 7PY 0.01193 0.00696 0.00726 0.00025 -0.00483 245 7PZ -0.00297 -0.00039 -0.00471 0.00231 0.00792 246 8PX 0.00430 0.01648 0.00542 0.01372 0.00832 247 8PY -0.03899 -0.02297 -0.02365 -0.00097 0.01579 248 8PZ 0.00999 0.00112 0.01566 -0.00776 -0.02608 249 9PX -0.03235 -0.05539 -0.03129 -0.05053 -0.03888 250 9PY 0.15266 0.09899 0.08878 0.01141 -0.05502 251 9PZ -0.05319 -0.00162 -0.07084 0.03561 0.11672 252 10PX 0.04502 -0.02375 0.09135 0.02468 0.09705 253 10PY -0.20342 -0.14915 -0.10097 -0.04438 -0.00210 254 10PZ 0.03739 -0.04706 0.08646 -0.04833 -0.20329 255 11XX -0.01694 0.00984 -0.00919 0.00718 -0.00655 256 11YY 0.03457 0.00938 0.01299 -0.00801 -0.00048 257 11ZZ 0.00188 0.00077 -0.00867 0.01000 0.01419 258 11XY 0.01864 0.00921 -0.00454 -0.00882 -0.02363 259 11XZ -0.02312 0.01153 -0.02602 -0.00468 0.00109 260 11YZ -0.00023 0.00232 0.00269 0.00534 0.00331 261 12XX 0.08805 0.08224 -0.01037 0.03172 0.10319 262 12YY -0.17191 0.11374 -0.12585 0.13435 0.04379 263 12ZZ -0.03219 0.14370 -0.04312 0.05442 -0.01016 264 12XY -0.10612 -0.06201 0.02285 0.04359 0.13006 265 12XZ 0.11160 -0.08394 0.14520 0.01482 0.00328 266 12YZ 0.00080 -0.01002 -0.01646 -0.03174 -0.03920 267 29 C 1S -0.00448 0.00306 0.00052 -0.00157 -0.00048 268 2S 0.15938 0.11727 0.02657 -0.05717 -0.09260 269 2PX 0.06701 -0.34509 0.03096 0.25406 -0.26158 270 2PY -0.20191 0.08694 0.05031 0.01564 0.16893 271 2PZ 0.16501 0.04049 -0.07038 -0.10356 -0.15524 272 3S 0.19878 -0.05761 0.27598 0.31015 -0.09333 273 3PX -0.12470 0.80084 -0.05661 -0.57805 0.41557 274 3PY 0.25847 -0.23655 -0.17585 -0.10114 -0.42284 275 3PZ -0.45637 -0.03974 0.04770 0.12013 0.53517 276 4XX -0.00261 0.01217 -0.01432 -0.00586 -0.03947 277 4YY 0.00606 -0.00603 -0.00654 -0.01680 -0.03028 278 4ZZ 0.03361 0.02832 0.03545 0.02151 0.03581 279 4XY -0.00251 0.03228 -0.02293 -0.04542 0.00328 280 4XZ -0.00477 0.03706 0.01764 -0.01728 0.02673 281 4YZ 0.04777 -0.00751 0.00353 0.00357 -0.06133 282 30 H 1S 0.02803 -0.15558 0.00487 0.09755 -0.16589 283 2S -0.12501 0.60637 -0.01516 -0.47372 0.47148 284 31 H 1S -0.11634 0.04730 0.07862 0.00234 0.28620 285 2S 0.39754 -0.27091 -0.21781 -0.04343 -0.79924 286 32 H 1S -0.07815 0.04701 -0.10769 -0.14445 0.01953 287 2S -0.09122 -0.29487 0.17276 0.43819 0.11375 288 33 H 1S -0.03253 -0.10967 -0.20833 -0.06465 0.11061 289 2S -0.14659 0.48361 0.58952 0.55012 -0.50775 290 34 H 1S -0.01357 0.03615 0.27772 0.12203 -0.20784 291 2S -0.03681 -0.25883 -0.92917 -0.39732 0.72048 292 35 H 1S -0.04517 -0.26788 0.01547 0.37031 0.02614 293 2S -0.03271 0.35039 -0.08734 -0.68595 -0.32007 294 36 H 1S -0.05355 -0.09417 -0.00266 -0.06720 -0.16174 295 2S 0.10497 -0.18357 0.09216 0.57238 0.51000 296 37 H 1S -0.05655 -0.18959 0.32127 0.12088 -0.09046 297 2S 0.16555 0.29159 -0.88155 -0.05019 0.02468 298 38 H 1S 0.03477 -0.09851 -0.30395 0.22836 -0.02637 299 2S -0.31888 -0.27744 0.95702 -0.11391 -0.21425 300 39 H 1S 0.01456 -0.34602 0.10039 -0.02214 -0.12401 301 2S 0.23010 0.84107 0.03751 0.54720 0.17904 302 40 H 1S 0.07089 0.03450 0.04835 0.20678 -0.03844 303 2S -0.15918 -0.42068 -0.04733 -0.66287 -0.01947 166 167 168 169 170 V V V V V Eigenvalues -- 0.74975 0.76462 0.76736 0.77786 0.78374 1 1 C 1S -0.01041 0.00734 -0.00293 0.00945 0.00326 2 2S 0.28854 0.19780 0.19694 -0.05124 -0.19087 3 2PX -0.02150 -0.15445 -0.03859 -0.03140 0.07572 4 2PY 0.16739 -0.18131 0.05003 -0.00847 0.10501 5 2PZ 0.23146 -0.14228 0.09684 -0.11233 -0.11222 6 3S -0.28706 -0.60467 -0.26455 -0.41367 0.06330 7 3PX 0.11871 0.35005 0.06676 -0.01530 -0.43294 8 3PY 0.01615 0.22818 -0.05248 0.33043 0.04466 9 3PZ -0.48571 0.28960 -0.28065 0.06695 0.14278 10 4XX 0.03871 0.00253 0.02343 -0.02053 -0.03341 11 4YY 0.05178 -0.00022 0.00285 0.04667 -0.00802 12 4ZZ -0.04784 0.02918 0.00176 -0.03409 0.00805 13 4XY -0.02886 -0.00592 -0.01328 0.04567 0.04409 14 4XZ 0.00420 0.00169 -0.00293 0.01312 0.00079 15 4YZ -0.03694 -0.00400 -0.01640 -0.01078 -0.00358 16 2 C 1S 0.00644 0.00221 0.00607 0.00343 0.00254 17 2S -0.03306 0.00732 -0.03976 0.03133 -0.06199 18 2PX -0.25441 0.14139 -0.03029 -0.02551 0.03576 19 2PY 0.33941 -0.11555 0.11963 0.08308 -0.01208 20 2PZ 0.37645 -0.07439 0.21067 0.07920 0.06987 21 3S -0.00149 0.37719 -0.02898 -0.00713 -0.00451 22 3PX 0.39946 -0.36146 -0.02718 -0.12452 -0.11858 23 3PY -0.57443 0.16576 -0.21707 -0.27581 -0.01840 24 3PZ -0.90312 0.19151 -0.38329 -0.14991 -0.17589 25 4XX -0.06695 -0.00315 -0.01605 -0.02767 0.00586 26 4YY 0.00020 0.01935 -0.00629 0.01018 -0.00427 27 4ZZ 0.06747 -0.00537 0.01995 0.02459 -0.01254 28 4XY 0.04273 0.01508 0.00308 0.04066 -0.00930 29 4XZ 0.04062 0.03744 0.03063 0.03904 0.01405 30 4YZ 0.04220 -0.00063 0.03396 0.02844 0.01443 31 3 C 1S 0.00357 0.00074 0.00398 -0.00199 -0.00247 32 2S 0.07020 0.18128 -0.10596 0.18998 0.07823 33 2PX -0.07182 -0.06357 0.11236 -0.08892 0.04818 34 2PY 0.01937 -0.06223 0.00888 0.06657 0.12634 35 2PZ -0.00278 -0.12009 0.28021 0.02261 0.24078 36 3S -0.18577 -0.33147 0.27277 -0.27960 -0.03103 37 3PX 0.16888 0.28792 -0.15492 0.17429 0.04408 38 3PY -0.02529 -0.02242 -0.18417 -0.24980 -0.40624 39 3PZ 0.29818 0.34227 -0.35419 -0.00745 -0.33346 40 4XX 0.00443 0.00561 -0.00687 0.02332 0.04264 41 4YY -0.02575 0.00327 -0.04298 -0.00453 -0.04081 42 4ZZ 0.03395 0.01987 0.03721 0.01235 0.01284 43 4XY 0.01232 0.00120 -0.00734 0.01523 0.00428 44 4XZ 0.00128 -0.02733 0.03943 -0.03607 0.02705 45 4YZ -0.00661 -0.01928 -0.05194 -0.01377 -0.04920 46 4 C 1S 0.00535 0.00538 0.01299 -0.00494 -0.00181 47 2S 0.02391 -0.02974 -0.10954 0.27759 0.06509 48 2PX 0.05601 -0.09640 0.02017 0.07253 0.03941 49 2PY 0.16138 -0.13898 0.09380 0.09069 0.27371 50 2PZ 0.03829 0.07548 0.19306 -0.05204 0.20432 51 3S -0.23875 0.32603 0.16130 -0.44156 -0.21253 52 3PX -0.24545 0.16820 -0.03393 -0.08757 0.11607 53 3PY -0.25738 0.29801 -0.10202 -0.14088 -0.34826 54 3PZ -0.21537 0.05301 -0.50048 0.34891 -0.45592 55 4XX -0.00698 -0.00247 -0.02822 0.02299 -0.02334 56 4YY -0.00987 0.06324 -0.02364 0.03808 -0.02521 57 4ZZ 0.02072 -0.05316 0.05231 -0.02221 0.04687 58 4XY 0.01310 0.01678 -0.00403 -0.01984 -0.05567 59 4XZ 0.01448 -0.00159 -0.00566 0.01196 -0.02816 60 4YZ 0.02592 -0.05771 0.02921 -0.02943 0.02714 61 5 C 1S -0.00891 -0.00310 -0.00308 -0.00984 -0.00989 62 2S -0.07947 -0.04263 0.04254 0.01324 0.02960 63 2PX -0.04914 -0.11620 -0.04921 -0.06828 0.05390 64 2PY -0.00765 0.24111 0.02381 0.07866 0.04792 65 2PZ -0.03672 0.10123 -0.02525 0.04607 0.03497 66 3S 0.94119 0.42070 -0.19222 1.16373 0.83132 67 3PX 0.22025 1.10647 -0.13958 0.50778 -0.46741 68 3PY 0.11062 -1.10493 0.10138 -1.03639 -0.65978 69 3PZ -0.03234 -0.54258 0.01632 -0.05846 -0.11513 70 4XX -0.00378 0.03292 -0.01817 0.04049 0.00158 71 4YY 0.03280 -0.06522 -0.00274 -0.03433 0.00817 72 4ZZ -0.02591 0.03976 0.01679 0.02226 0.01014 73 4XY -0.00791 0.00589 0.00757 0.01496 0.00309 74 4XZ -0.01062 0.02514 0.00916 0.01519 0.00962 75 4YZ -0.00203 0.00635 -0.00952 -0.00229 0.00318 76 6 C 1S 0.00608 -0.00760 0.00258 0.00363 0.00204 77 2S 0.01681 0.02907 0.02742 0.04854 -0.07308 78 2PX 0.02845 -0.06692 -0.04365 0.07014 0.07458 79 2PY 0.17539 -0.08290 0.00692 -0.08949 -0.03560 80 2PZ 0.09959 0.06291 0.06009 -0.16677 -0.12548 81 3S 0.15381 -0.13749 -0.12855 -0.17239 0.23412 82 3PX 0.28110 -0.25904 0.11053 -0.93434 -0.86575 83 3PY -0.82506 0.75414 0.08227 -0.23714 -0.60728 84 3PZ 0.06085 -0.18939 -0.05075 0.65157 0.67706 85 4XX 0.01116 -0.02207 0.00730 -0.04271 -0.03415 86 4YY -0.00103 -0.00629 -0.00958 0.02195 0.00206 87 4ZZ 0.00390 0.01289 0.00313 0.03067 0.03225 88 4XY 0.00314 -0.01036 -0.00176 -0.01594 -0.02117 89 4XZ -0.00921 0.01837 -0.00665 0.01874 0.02109 90 4YZ -0.02635 -0.00775 -0.00401 -0.00553 -0.00268 91 7 C 1S 0.00504 -0.00409 -0.00507 -0.00454 -0.00275 92 2S 0.23368 0.09172 0.14112 0.07145 0.11440 93 2PX -0.00098 -0.12508 -0.07670 -0.09660 -0.10795 94 2PY -0.03664 -0.00166 -0.05840 -0.00326 0.02861 95 2PZ 0.08884 -0.03051 0.07078 -0.00913 0.03327 96 3S -0.99021 0.33023 -0.37612 0.20019 0.04058 97 3PX -0.04115 0.17336 0.01797 1.02617 1.29080 98 3PY -0.29133 0.24819 0.21445 -0.10664 -0.36090 99 3PZ -0.04534 0.06687 -0.25114 0.03825 0.04648 100 4XX 0.02527 -0.01702 -0.01079 -0.01868 0.00663 101 4YY -0.00157 0.03529 0.00997 0.01790 0.01392 102 4ZZ -0.00248 0.00904 0.00838 0.01216 0.00093 103 4XY -0.00014 0.00103 -0.00843 -0.00817 -0.00798 104 4XZ 0.02595 0.00623 0.00142 -0.00851 -0.00727 105 4YZ 0.02662 -0.00115 0.00248 0.01351 0.02122 106 8 C 1S -0.00556 0.00302 0.00026 0.02237 0.02343 107 2S 0.08371 -0.06221 0.01525 -0.32285 -0.12836 108 2PX -0.02496 0.01348 0.07294 -0.14107 -0.16518 109 2PY -0.02960 0.06614 0.01829 0.18403 0.09318 110 2PZ 0.02350 0.09319 0.00969 0.02421 0.03298 111 3S 0.20128 -0.23005 0.59719 -0.02557 -0.51047 112 3PX 0.12441 -0.09540 -0.09905 0.76343 1.02627 113 3PY 0.14920 -0.23820 0.24093 -0.24145 -0.06830 114 3PZ -0.05872 -0.37373 -0.11201 0.03304 -0.04282 115 4XX 0.04615 -0.03070 0.00934 -0.06900 -0.05188 116 4YY 0.02153 -0.02416 -0.00546 -0.00607 0.01617 117 4ZZ -0.05059 0.03955 0.02496 0.03775 0.02042 118 4XY -0.00328 -0.01184 0.02538 -0.01250 -0.00351 119 4XZ -0.01541 -0.00963 -0.02579 0.01438 0.02191 120 4YZ 0.01509 0.00133 -0.04299 0.04515 0.03680 121 9 C 1S 0.00525 0.00589 0.00407 -0.01376 0.00516 122 2S 0.02542 -0.22675 0.24830 0.18038 0.08097 123 2PX 0.08163 -0.11280 -0.10523 0.10009 0.04559 124 2PY -0.13574 -0.00619 -0.12117 0.15326 -0.11167 125 2PZ -0.01043 -0.13621 0.09655 0.18460 0.02044 126 3S -0.21185 0.34215 -0.71878 -0.22672 -0.46216 127 3PX -0.48942 0.10206 0.68016 -0.32976 -0.39633 128 3PY 0.60599 -0.20108 0.40748 -0.16499 0.19020 129 3PZ -0.30906 0.54516 -0.25750 -0.46041 -0.12336 130 4XX -0.03083 -0.01148 0.04935 0.02823 -0.00473 131 4YY 0.02131 0.00368 0.03446 -0.03145 -0.02145 132 4ZZ 0.01729 -0.01957 -0.05131 0.01379 0.03199 133 4XY -0.01356 -0.00190 0.01832 -0.03214 -0.01275 134 4XZ -0.03616 0.01923 0.03271 0.01026 -0.00733 135 4YZ 0.00176 0.05060 -0.01191 0.01094 0.02279 136 10 C 1S 0.00609 0.00213 -0.00259 0.01247 -0.00853 137 2S 0.17648 0.08287 -0.03348 0.04749 0.11839 138 2PX -0.07434 -0.09668 0.03371 -0.09680 0.01948 139 2PY -0.07523 0.03759 -0.04079 0.15969 -0.02958 140 2PZ -0.03511 -0.08586 -0.06033 0.21619 -0.01711 141 3S -0.98100 -0.84816 0.26017 -0.75007 -0.24092 142 3PX 0.35465 1.24406 -0.25016 0.74757 0.32027 143 3PY 0.08485 -0.40669 0.12530 -0.32092 0.21315 144 3PZ -0.29558 -0.04360 0.42774 -0.77333 0.07569 145 4XX -0.00584 -0.04621 0.00953 -0.04075 0.00692 146 4YY -0.00450 0.00782 -0.00433 0.01589 0.00476 147 4ZZ 0.02278 0.03123 -0.00502 0.02600 -0.00648 148 4XY 0.01260 0.00407 0.02185 -0.00900 0.00749 149 4XZ -0.00736 0.00935 0.01416 -0.01277 0.01154 150 4YZ 0.00898 0.01978 -0.00014 0.01151 0.00423 151 11 C 1S 0.00110 0.02050 0.00094 -0.00632 0.00635 152 2S 0.00613 -0.29511 -0.08401 0.18439 0.18053 153 2PX -0.05871 0.02141 0.05518 0.07997 0.07956 154 2PY 0.05968 -0.23210 -0.08819 -0.02730 0.04800 155 2PZ -0.11225 -0.26774 0.17472 -0.04956 0.05232 156 3S -0.17328 0.14165 0.23720 -0.39197 -0.54068 157 3PX 0.03012 -0.39591 -0.18175 -0.22210 -0.29622 158 3PY -0.09879 0.48164 0.26229 0.11305 0.05394 159 3PZ 0.26639 0.55668 -0.62130 0.37158 -0.21139 160 4XX -0.00524 -0.06395 -0.03137 0.00706 0.01022 161 4YY -0.01177 0.00839 0.02398 0.02028 0.02192 162 4ZZ 0.01509 0.01549 -0.00390 -0.00935 0.00450 163 4XY 0.01243 -0.01568 -0.00666 -0.00690 -0.02103 164 4XZ -0.01452 0.01123 -0.02141 -0.00151 0.00158 165 4YZ 0.03861 0.02818 -0.00191 0.02345 -0.03168 166 12 H 1S -0.10095 0.13121 -0.01509 -0.03836 0.06598 167 2S 0.31534 -0.07502 -0.46969 0.19974 -0.28934 168 13 H 1S 0.10673 0.27034 -0.04851 0.03362 -0.12661 169 2S -0.22227 -0.60072 0.22437 -0.18184 0.30164 170 14 C 1S -0.00866 -0.00251 -0.00104 0.01772 0.00054 171 2S 0.11669 -0.01857 0.05542 -0.23268 0.07985 172 2PX -0.00343 -0.24377 -0.09330 -0.07493 -0.14084 173 2PY 0.01249 -0.35935 -0.14533 -0.02153 -0.32050 174 2PZ -0.06465 -0.12503 -0.11546 0.16140 -0.06222 175 3S -0.17635 0.25765 -0.18761 0.57003 0.08108 176 3PX -0.10149 0.17668 0.14875 0.08363 0.19811 177 3PY 0.06243 0.97953 0.17486 0.36642 0.59660 178 3PZ 0.21674 0.17954 0.40131 -0.37404 0.15051 179 4XX 0.01940 0.04619 0.03603 -0.00080 0.01635 180 4YY -0.01592 -0.01414 0.04195 -0.05307 0.01872 181 4ZZ 0.00472 -0.03281 -0.06764 0.04179 -0.01584 182 4XY -0.01914 0.03398 0.02840 0.02204 -0.00381 183 4XZ 0.02285 -0.01827 -0.02458 -0.01308 -0.02360 184 4YZ -0.00192 -0.04485 -0.04498 0.01196 -0.02538 185 15 H 1S -0.08133 0.19048 0.22133 0.05290 0.14564 186 2S 0.18671 -0.77052 -0.35039 -0.37648 -0.45857 187 16 H 1S -0.05111 -0.21330 -0.28624 0.18405 -0.11078 188 2S 0.13717 0.66370 0.62887 -0.34847 0.47886 189 17 C 1S -0.00103 -0.00079 0.00019 -0.00631 0.00926 190 2S 0.01456 -0.05488 -0.01854 0.13983 0.03484 191 2PX -0.07793 -0.01637 -0.05003 -0.11331 0.05338 192 2PY 0.17450 -0.05927 0.01491 0.22557 -0.30329 193 2PZ 0.18235 -0.00918 0.14190 0.33167 -0.38226 194 3S 0.10251 0.14064 0.11609 -0.35151 -0.22527 195 3PX 0.15630 0.02773 0.17115 -0.00079 -0.14418 196 3PY -0.51301 0.16424 -0.16921 -0.16603 0.65148 197 3PZ -0.55059 -0.29422 -0.17054 -0.73604 0.57104 198 4XX 0.01980 0.00277 0.00747 0.03457 -0.02099 199 4YY 0.00402 0.00184 -0.04266 0.01202 -0.00144 200 4ZZ -0.01655 -0.00958 0.03307 -0.03722 0.02813 201 4XY -0.00908 0.00484 0.01591 -0.07407 0.02552 202 4XZ -0.01576 0.01152 -0.00891 -0.07253 0.06593 203 4YZ -0.02053 -0.00387 -0.01210 -0.01866 0.02837 204 18 C 1S 0.00010 -0.01160 0.00302 0.01513 0.00373 205 2S 0.02032 0.05790 0.01631 -0.26202 0.07765 206 2PX -0.17512 -0.12085 0.21704 -0.06302 -0.17519 207 2PY -0.00075 -0.06614 0.03193 0.13469 -0.06280 208 2PZ -0.46094 -0.20196 0.34612 0.17823 -0.27883 209 3S 0.22617 -0.05565 -0.12158 0.63287 0.14340 210 3PX 0.10025 0.36402 -0.49661 0.42079 0.36340 211 3PY -0.01754 0.19461 -0.17856 -0.13431 0.48144 212 3PZ 1.26320 0.34506 -0.65613 -0.15247 0.43059 213 4XX 0.03403 0.02072 -0.03629 -0.01323 0.04227 214 4YY 0.01080 -0.01556 0.02834 0.01038 -0.03746 215 4ZZ -0.03349 -0.01125 0.00937 -0.01841 0.01781 216 4XY -0.02904 0.02007 0.04683 0.00516 -0.02777 217 4XZ 0.01170 -0.00692 -0.02124 0.01859 0.00258 218 4YZ -0.05298 -0.00967 0.09071 0.04235 -0.05651 219 19 H 1S -0.26053 -0.14129 0.35269 0.22162 -0.12777 220 2S 0.82490 0.40536 -0.86643 -0.44043 0.72638 221 20 H 1S 0.18767 -0.07310 -0.25840 0.00341 0.30449 222 2S -0.79112 -0.12367 0.74548 -0.13342 -0.40937 223 21 H 1S -0.17309 -0.03086 -0.00389 -0.33093 0.31359 224 2S 0.48629 0.02100 0.09100 0.90132 -0.83004 225 22 H 1S 0.04870 -0.06272 0.00131 0.32736 -0.14071 226 2S -0.41183 -0.01663 -0.17063 -0.58410 0.67771 227 23 H 1S 0.00976 0.07837 0.03757 0.11809 0.01008 228 2S 0.03704 0.02231 0.15180 -0.43797 0.16425 229 24 H 1S 0.01704 0.17124 -0.03687 -0.09253 0.05935 230 2S -0.02704 -0.51775 0.09055 0.51463 0.01623 231 25 H 1S 0.04207 0.02236 -0.06711 0.29965 0.27024 232 2S -0.08966 -0.13785 0.19023 -0.52216 -0.38088 233 26 H 1S -0.16742 0.15458 0.09933 0.30383 0.21657 234 2S 0.28854 0.04845 -0.09763 -0.39809 -0.15224 235 27 H 1S -0.14385 -0.04568 -0.04220 -0.02913 -0.02609 236 2S 0.25007 0.11185 0.33640 0.36556 0.41892 237 28 Br 1S 0.00165 -0.00156 0.00174 0.00043 0.00024 238 2S -0.01122 0.00943 -0.00944 -0.00255 -0.00204 239 3S 0.01393 -0.00985 0.00684 0.00240 0.00317 240 4S 0.02601 -0.02406 0.03057 0.00717 0.00397 241 5S -0.05740 0.03883 -0.02508 -0.21119 -0.11701 242 6S -0.00625 0.07332 -0.07901 0.51816 0.30153 243 7PX -0.00214 0.01194 -0.00095 0.00702 0.00561 244 7PY -0.00827 0.00243 -0.00563 0.00445 -0.00108 245 7PZ 0.00077 0.00364 0.00669 0.00465 0.00412 246 8PX 0.00717 -0.03918 0.00294 -0.02298 -0.01834 247 8PY 0.02700 -0.00796 0.01836 -0.01433 0.00362 248 8PZ -0.00263 -0.01198 -0.02190 -0.01522 -0.01350 249 9PX -0.03785 0.16192 -0.00269 0.09150 0.07387 250 9PY -0.09993 0.02926 -0.06847 0.03691 -0.02334 251 9PZ 0.01857 0.04318 0.08689 0.05199 0.04911 252 10PX 0.09253 -0.24431 -0.04063 -0.13098 -0.12999 253 10PY 0.04968 0.02489 0.06352 0.11445 0.12431 254 10PZ -0.10438 0.06935 -0.13953 0.08740 0.04348 255 11XX -0.01679 0.00251 -0.00003 -0.00255 0.00407 256 11YY -0.00582 0.00852 -0.00903 -0.00290 -0.00562 257 11ZZ 0.00394 0.00043 0.00192 0.00262 -0.00329 258 11XY -0.01055 0.01837 0.00579 0.00458 -0.00256 259 11XZ -0.02457 0.02528 0.00405 0.02231 0.01311 260 11YZ 0.00514 -0.01244 0.00757 -0.00990 -0.00439 261 12XX 0.05967 -0.01084 0.01294 -0.08085 -0.08995 262 12YY -0.02207 -0.02681 0.06291 -0.03603 -0.00888 263 12ZZ -0.06117 0.04136 0.00947 -0.05836 -0.00676 264 12XY 0.05586 -0.09576 -0.03582 -0.01264 0.02037 265 12XZ 0.13583 -0.13454 -0.02615 -0.12227 -0.07969 266 12YZ -0.04973 0.08656 -0.04519 0.08373 0.04416 267 29 C 1S -0.00732 0.00850 -0.00851 -0.00168 -0.00631 268 2S 0.12367 -0.20226 0.22711 0.16631 0.16468 269 2PX -0.14167 -0.28953 0.13458 -0.03419 0.17414 270 2PY 0.05359 -0.23513 -0.25472 0.05007 0.10139 271 2PZ 0.01898 0.09363 0.27658 -0.00066 -0.05735 272 3S -0.31321 0.77449 -0.42099 -0.16936 -0.11929 273 3PX -0.00299 0.18319 -0.32077 0.08513 -0.29527 274 3PY -0.12424 0.56723 0.53569 0.08996 -0.02319 275 3PZ 0.13126 -0.56822 -0.51233 -0.27955 -0.15947 276 4XX -0.03388 -0.05125 0.04582 -0.00627 -0.01279 277 4YY 0.00839 0.05513 0.02582 0.03254 0.02373 278 4ZZ 0.03133 -0.01940 -0.04019 -0.00141 0.01205 279 4XY 0.04612 0.05773 0.03247 -0.04531 -0.05565 280 4XZ -0.00338 -0.02569 -0.06292 0.02472 0.01505 281 4YZ -0.03706 0.00629 0.05595 0.01658 0.02159 282 30 H 1S -0.26719 -0.13069 0.07658 0.08090 0.06615 283 2S 0.31184 0.08027 -0.35677 -0.00945 -0.21527 284 31 H 1S 0.04804 0.02697 -0.43960 0.08249 0.07086 285 2S -0.16194 0.41493 1.09420 0.09900 0.09755 286 32 H 1S 0.12801 0.32282 0.11815 -0.19095 -0.26362 287 2S 0.00695 -0.83298 -0.30198 0.17544 0.42579 288 33 H 1S 0.11526 -0.15975 0.21929 -0.14677 0.17039 289 2S -0.26903 0.35202 -0.59536 0.41206 -0.60780 290 34 H 1S -0.04850 0.25125 -0.06395 -0.01871 -0.25151 291 2S 0.25480 -0.57450 0.13062 0.19906 0.51030 292 35 H 1S 0.05562 -0.00921 -0.07823 -0.05672 -0.19813 293 2S -0.06439 -0.08145 0.41400 0.26504 0.67594 294 36 H 1S 0.10884 0.02907 0.33021 -0.03463 0.17639 295 2S 0.14198 0.30801 -0.60086 0.23898 -0.26939 296 37 H 1S 0.34741 0.05676 0.18164 0.17345 0.01501 297 2S -1.07309 0.06431 -0.51771 -0.42344 -0.16856 298 38 H 1S -0.27184 -0.01357 -0.05401 -0.14642 0.03999 299 2S 0.85825 -0.23190 0.18625 0.22726 -0.09778 300 39 H 1S -0.26879 0.09171 -0.08673 0.03826 0.05488 301 2S 0.70092 -0.18725 0.41600 -0.08118 -0.21943 302 40 H 1S 0.00291 -0.00581 -0.02690 0.30482 0.17604 303 2S 0.08688 0.38147 0.10290 -0.11466 -0.35921 171 172 173 174 175 V V V V V Eigenvalues -- 0.79007 0.79365 0.80103 0.80954 0.81501 1 1 C 1S -0.00532 0.00436 -0.00029 -0.01230 0.01361 2 2S 0.04700 -0.57000 -0.15096 0.05511 -0.41096 3 2PX 0.03089 0.26814 0.11981 -0.04208 0.13721 4 2PY -0.04698 0.04335 -0.07672 0.06377 -0.05422 5 2PZ -0.06783 -0.36209 -0.12236 0.04086 -0.21199 6 3S -0.12270 1.66703 0.97137 -0.19462 1.32140 7 3PX -0.33357 -0.60404 0.06534 0.04496 0.11822 8 3PY -0.04332 -0.27897 0.09745 -0.22358 0.24475 9 3PZ 0.09871 0.87292 0.02979 0.07368 0.03196 10 4XX -0.02721 -0.04992 0.01558 -0.02049 -0.01988 11 4YY -0.03418 -0.01978 0.02803 -0.00150 0.06564 12 4ZZ 0.05889 -0.00177 -0.05059 0.01108 -0.07907 13 4XY -0.03127 0.05015 0.01067 -0.01286 0.04662 14 4XZ 0.00224 -0.02600 -0.00469 -0.01782 0.01753 15 4YZ 0.03047 0.01379 0.00379 -0.03056 0.01644 16 2 C 1S 0.00329 0.00358 0.00560 0.00319 -0.00939 17 2S -0.10599 -0.00141 0.08168 -0.38308 0.31020 18 2PX 0.11341 0.19800 -0.00688 0.24693 -0.16365 19 2PY -0.13893 -0.05221 0.11139 -0.04616 0.10539 20 2PZ -0.08664 0.03050 0.02492 0.09543 -0.00479 21 3S 0.20099 0.02659 -0.37308 0.98634 -0.93095 22 3PX -0.00638 -0.36300 0.04145 -0.81850 0.03636 23 3PY 0.43551 0.02083 -0.27808 0.10151 -0.29492 24 3PZ 0.06141 -0.08652 -0.07114 -0.17481 0.01204 25 4XX 0.01214 0.03297 0.00347 -0.00218 -0.02437 26 4YY -0.00453 0.00478 -0.02202 -0.02673 0.00462 27 4ZZ -0.01962 -0.04197 0.02719 -0.02202 0.04497 28 4XY -0.04821 -0.00015 0.01791 -0.00121 0.06316 29 4XZ -0.02782 0.01880 -0.01250 0.06899 0.02185 30 4YZ -0.01030 0.02473 0.02558 0.05169 0.02382 31 3 C 1S 0.00353 -0.00009 0.00764 0.00166 -0.00038 32 2S -0.02394 0.03023 -0.20786 -0.28275 -0.09920 33 2PX 0.04627 0.08428 0.05692 0.05398 0.00443 34 2PY -0.07946 -0.03097 -0.11665 -0.09338 0.02294 35 2PZ -0.19682 0.15681 -0.01411 0.20085 0.03791 36 3S -0.30835 -0.00252 0.44162 0.33217 0.29100 37 3PX -0.04193 -0.19760 -0.37373 -0.03899 -0.16000 38 3PY 0.13853 -0.20003 0.27767 -0.12806 -0.06749 39 3PZ 0.52346 -0.18083 -0.05199 -0.16165 -0.11492 40 4XX -0.02566 0.01607 -0.04562 -0.03760 -0.04033 41 4YY -0.00965 -0.01513 0.02305 -0.06840 0.01376 42 4ZZ 0.02041 0.00695 0.00185 0.05576 0.01359 43 4XY -0.00428 -0.00548 -0.00947 -0.01815 0.02620 44 4XZ 0.02941 0.01843 -0.01759 0.03087 -0.02676 45 4YZ 0.02653 -0.06649 0.03178 -0.08450 0.02139 46 4 C 1S 0.01166 0.00146 -0.00484 -0.00680 0.00985 47 2S -0.35562 0.14524 0.37566 0.00507 -0.27837 48 2PX -0.08485 -0.01341 0.18565 0.07437 0.03085 49 2PY -0.11006 -0.17608 0.02624 -0.17901 0.13193 50 2PZ 0.20467 -0.04948 -0.23321 -0.08793 0.15225 51 3S 0.58943 -0.26581 -1.02235 -0.08558 0.23180 52 3PX -0.22155 -0.03880 -0.67752 -0.31229 -0.43161 53 3PY 0.27851 0.53989 -0.07144 0.49197 -0.48539 54 3PZ -0.52568 0.10412 0.36380 0.04730 -0.27002 55 4XX -0.04301 0.00060 0.04409 -0.02569 -0.02382 56 4YY -0.01763 0.00606 -0.00737 0.01798 -0.00656 57 4ZZ 0.00906 0.01113 0.01361 0.00099 -0.00957 58 4XY 0.02453 -0.01829 0.01623 0.00149 0.02740 59 4XZ -0.00417 -0.02131 0.04064 -0.01100 0.05385 60 4YZ 0.05298 -0.01706 0.01234 -0.03463 0.06396 61 5 C 1S -0.00194 -0.00779 0.00541 -0.00055 0.00505 62 2S 0.01162 -0.07046 0.06284 -0.10417 0.03021 63 2PX 0.00327 0.00289 0.02715 -0.21889 -0.14113 64 2PY -0.11182 -0.01107 -0.14906 -0.07248 -0.16126 65 2PZ 0.04215 -0.07554 0.02712 0.04623 0.07627 66 3S 0.31298 0.35456 -0.69509 0.07425 -0.88532 67 3PX 0.28799 0.49396 -0.26152 0.95837 0.11896 68 3PY 0.45036 0.22668 0.94874 0.34320 0.93107 69 3PZ -0.53896 -0.09237 -0.26004 -0.25525 -0.31394 70 4XX 0.01786 0.00087 -0.01861 0.01021 -0.01700 71 4YY -0.00288 -0.01616 0.01866 -0.03102 0.01968 72 4ZZ -0.01524 0.00896 -0.00073 -0.00214 -0.02674 73 4XY -0.01391 -0.02858 -0.02026 0.03086 0.02014 74 4XZ -0.03255 -0.00574 -0.03459 0.06502 0.00869 75 4YZ 0.00984 -0.00310 -0.01298 -0.01789 -0.00813 76 6 C 1S -0.00553 0.01003 0.00618 0.00352 -0.00066 77 2S -0.13218 0.03945 0.08872 -0.04947 -0.07993 78 2PX 0.05500 0.02417 -0.08389 0.10483 -0.11686 79 2PY 0.04483 -0.08259 -0.04810 -0.01805 -0.02996 80 2PZ 0.01576 0.17776 -0.02642 0.22647 -0.14048 81 3S 1.19367 -0.41632 -0.17114 0.26849 0.57931 82 3PX 0.08610 -0.08590 1.03748 -0.34076 0.94137 83 3PY 0.09694 1.17272 0.33529 0.79200 0.04473 84 3PZ 0.21307 -0.59490 0.05257 -0.75866 0.33214 85 4XX -0.00703 -0.00840 0.01747 -0.00302 -0.02155 86 4YY 0.00403 0.02146 0.01994 0.00018 0.01707 87 4ZZ 0.00753 -0.01054 -0.01643 0.00570 0.01131 88 4XY 0.02052 0.00421 0.01653 0.02282 0.02742 89 4XZ -0.00538 0.01502 -0.02235 -0.00099 -0.01864 90 4YZ -0.00121 0.05291 0.03449 -0.02451 -0.02322 91 7 C 1S 0.00709 0.01332 0.00991 -0.00648 -0.00158 92 2S 0.03803 0.00561 0.01338 -0.11397 0.19657 93 2PX 0.01895 0.09536 0.13409 -0.05535 -0.01932 94 2PY 0.14029 0.06315 -0.06674 0.07124 -0.15605 95 2PZ 0.04145 0.15404 0.07286 -0.01224 0.03719 96 3S -0.15011 0.36981 -0.68466 0.87185 -0.83667 97 3PX 0.24343 -0.67525 -0.86341 0.14181 -0.16587 98 3PY -0.56792 0.45060 0.23561 0.29846 -0.01023 99 3PZ 0.21302 -0.21086 -0.16327 0.16243 -0.16630 100 4XX 0.00094 0.02633 -0.01280 -0.00769 0.02846 101 4YY -0.00350 -0.00390 -0.01850 0.00492 -0.01393 102 4ZZ 0.00482 -0.00420 0.01634 -0.00715 0.00011 103 4XY 0.00808 -0.02513 0.01866 -0.01547 -0.03343 104 4XZ 0.00121 0.04376 0.03232 -0.01940 0.01997 105 4YZ 0.02395 -0.01903 0.00261 -0.00037 0.03074 106 8 C 1S 0.00940 -0.01740 0.00488 0.00101 0.00155 107 2S -0.40875 0.35747 -0.36734 -0.17684 0.25650 108 2PX -0.18886 0.09010 -0.07558 -0.05734 0.01198 109 2PY 0.20560 -0.19647 0.14448 0.02237 -0.11199 110 2PZ -0.21931 -0.05172 -0.27025 -0.04455 0.12079 111 3S 1.25670 -0.12445 1.59911 -0.38501 -0.49460 112 3PX 0.85052 -0.23571 -0.42226 -0.02505 -0.20263 113 3PY -0.10062 0.38244 -0.18068 -0.36341 0.26014 114 3PZ 0.39242 0.11329 0.64226 -0.01923 -0.29826 115 4XX -0.03742 0.07765 -0.00409 -0.03900 0.04461 116 4YY 0.03016 0.01203 0.00463 -0.06595 -0.02507 117 4ZZ -0.03164 -0.04325 -0.03090 0.05046 0.02194 118 4XY -0.01608 0.01461 -0.02922 -0.01738 0.00263 119 4XZ -0.00422 -0.01534 -0.02992 0.01820 0.00935 120 4YZ 0.04518 -0.02220 0.01659 0.02256 -0.01393 121 9 C 1S -0.00241 0.00361 0.00093 -0.00100 0.00092 122 2S 0.20700 -0.07487 0.15192 -0.43117 -0.12067 123 2PX 0.09109 -0.01588 -0.05314 -0.03054 -0.03414 124 2PY -0.16685 -0.17063 0.09203 -0.00383 0.01710 125 2PZ 0.02086 -0.08978 0.12196 -0.29934 -0.04576 126 3S -0.78194 0.14860 -0.23178 1.15174 0.37007 127 3PX -0.46607 0.05154 0.17053 -0.10830 0.18107 128 3PY 0.93491 0.62207 -0.26017 -0.32648 -0.04594 129 3PZ -0.37130 0.07133 -0.39591 0.97073 0.14932 130 4XX -0.01489 -0.02486 0.02702 -0.04249 -0.01715 131 4YY -0.02534 0.00416 -0.01772 -0.03723 0.00354 132 4ZZ 0.04321 0.01068 0.01819 0.02679 0.00490 133 4XY -0.01389 0.01716 0.01584 0.00024 0.00637 134 4XZ -0.02267 -0.02540 0.01395 0.03335 0.02582 135 4YZ 0.00284 0.01355 -0.03804 0.03823 0.00476 136 10 C 1S 0.00479 0.00178 -0.01028 -0.00963 0.00018 137 2S 0.08507 0.05296 0.18988 -0.11029 -0.23127 138 2PX -0.08979 -0.08225 0.02657 -0.03601 0.12268 139 2PY -0.02014 0.08957 -0.07302 -0.12254 -0.00832 140 2PZ 0.11758 0.02757 -0.07990 0.01418 0.19620 141 3S -0.61392 -0.45834 0.05660 -0.01170 0.66889 142 3PX 0.32413 0.36865 -0.45575 0.20508 -0.65080 143 3PY -0.23881 -0.54399 0.19231 0.05062 0.05205 144 3PZ -0.32919 -0.30584 0.28956 -0.04266 -0.16276 145 4XX 0.01996 0.00345 0.02672 -0.07040 -0.03136 146 4YY 0.00234 0.00485 0.01938 0.02539 -0.00197 147 4ZZ -0.01831 -0.01670 -0.01690 0.00732 0.00960 148 4XY -0.01317 0.00488 -0.01546 -0.01240 0.00802 149 4XZ 0.00136 -0.01609 -0.03227 -0.01545 0.00904 150 4YZ 0.01993 0.02036 -0.05939 -0.01385 0.00533 151 11 C 1S 0.00273 -0.00478 0.00289 -0.00896 -0.00032 152 2S -0.21138 0.00779 0.00505 -0.06487 -0.34134 153 2PX 0.11006 0.06483 -0.17815 -0.12648 -0.07168 154 2PY -0.11170 0.00507 0.07160 0.17672 -0.01175 155 2PZ 0.43730 0.13589 -0.24002 -0.08298 0.21726 156 3S 0.57983 0.15022 0.16894 0.12132 0.85255 157 3PX -0.29987 -0.35697 0.48804 0.62383 0.46314 158 3PY 0.19101 0.11365 -0.14654 -0.59144 -0.32181 159 3PZ -0.93301 -0.26951 0.26877 0.08514 -0.54613 160 4XX -0.01063 -0.01213 0.01118 0.04806 0.00041 161 4YY -0.01438 0.02992 0.01146 -0.06054 -0.06689 162 4ZZ -0.00288 -0.01505 -0.01132 -0.00091 0.01582 163 4XY -0.02476 -0.00850 0.04667 0.01471 0.01312 164 4XZ 0.01014 -0.03570 -0.01852 0.02865 0.04673 165 4YZ -0.02794 0.02025 0.09329 0.01637 -0.01831 166 12 H 1S 0.22503 -0.11004 -0.32698 -0.08509 0.18717 167 2S -0.85930 -0.12476 0.75629 0.51932 -0.38059 168 13 H 1S -0.07697 -0.06771 0.21815 0.01819 0.08343 169 2S 0.49702 0.09661 -0.52037 0.06554 0.19725 170 14 C 1S -0.00486 -0.00481 -0.01136 -0.00142 -0.00443 171 2S -0.00938 0.01228 0.20136 -0.19258 -0.16820 172 2PX -0.03187 -0.15011 -0.07640 0.08191 0.06313 173 2PY 0.10039 -0.13738 0.00426 0.20737 0.12231 174 2PZ 0.05843 -0.11534 -0.25985 0.05857 0.08868 175 3S 0.08238 0.08386 -0.49638 0.17136 -0.02607 176 3PX 0.28084 0.34106 0.27821 0.35909 0.24511 177 3PY -0.21011 0.32976 -0.40496 -0.48402 -0.38655 178 3PZ 0.04309 0.29907 0.57200 -0.31361 -0.16923 179 4XX -0.00524 0.03958 0.03605 -0.06483 -0.06451 180 4YY -0.02663 -0.01559 0.03515 -0.02916 0.00439 181 4ZZ 0.02288 -0.02334 -0.05505 0.05511 0.01328 182 4XY -0.01137 0.00374 -0.00533 -0.01157 0.01608 183 4XZ 0.01300 -0.01563 0.01088 0.01853 0.02410 184 4YZ -0.00468 -0.03595 -0.01454 0.04834 0.02655 185 15 H 1S -0.11211 0.05308 0.05548 -0.24683 -0.08812 186 2S 0.08620 -0.34806 0.17823 0.25405 0.09795 187 16 H 1S 0.00370 -0.24260 -0.21129 0.23894 0.15508 188 2S -0.10216 0.50581 0.56899 -0.66042 -0.41612 189 17 C 1S -0.00922 -0.00563 0.00956 0.00326 0.00108 190 2S 0.18000 0.00987 -0.06869 -0.23982 -0.17065 191 2PX 0.00275 -0.08903 0.04257 0.01743 -0.02142 192 2PY 0.10176 0.11402 -0.13407 0.06678 0.00010 193 2PZ 0.05375 0.18436 -0.21390 -0.12507 -0.07916 194 3S -0.31735 0.04178 0.02653 0.15133 0.16518 195 3PX -0.20905 0.03376 -0.08625 0.00046 0.16720 196 3PY -0.36155 -0.37165 0.03332 -0.16170 -0.10069 197 3PZ -0.04160 -0.31468 0.63808 0.42981 0.21810 198 4XX 0.00740 0.03062 -0.00387 -0.01090 -0.01867 199 4YY -0.00517 -0.02881 -0.02198 0.00368 -0.01093 200 4ZZ 0.01263 -0.00355 0.02497 -0.03217 0.00040 201 4XY -0.01246 -0.03077 0.02448 -0.03384 0.00498 202 4XZ -0.02361 -0.05059 0.00375 -0.01034 0.02419 203 4YZ -0.03011 -0.03055 0.02409 0.04115 0.03453 204 18 C 1S 0.01597 -0.00105 0.00116 -0.00150 -0.00195 205 2S -0.23701 -0.03662 -0.21175 -0.20662 -0.04983 206 2PX -0.09850 -0.08661 0.05422 -0.04858 -0.01483 207 2PY 0.16811 0.02658 0.25371 0.02231 -0.05933 208 2PZ -0.16533 -0.04916 -0.03081 -0.00119 0.00074 209 3S 0.76874 0.21476 0.32526 0.19194 -0.10100 210 3PX -0.12574 -0.00663 -0.12581 0.08488 -0.01875 211 3PY -0.35437 -0.29515 -0.69141 0.05325 0.21470 212 3PZ 0.73511 0.31104 0.03294 -0.23266 -0.12077 213 4XX 0.00812 0.00083 -0.05303 -0.02367 -0.01649 214 4YY 0.00092 0.04316 0.01105 -0.03945 -0.02781 215 4ZZ -0.01991 -0.05065 0.00262 0.02710 0.03096 216 4XY -0.02006 -0.00542 -0.00365 -0.02439 -0.00858 217 4XZ 0.02480 0.02990 0.00459 0.02826 0.01781 218 4YZ -0.00393 0.01773 0.01439 -0.03150 -0.01884 219 19 H 1S 0.11233 0.02058 0.14838 -0.01094 -0.00638 220 2S 0.06523 -0.06139 -0.47711 -0.03691 0.05826 221 20 H 1S 0.20439 -0.02505 0.04833 0.12496 0.10072 222 2S -0.69410 -0.24969 -0.33255 -0.21492 -0.00593 223 21 H 1S -0.15118 -0.25100 0.18312 0.06103 0.15831 224 2S 0.40461 0.52184 -0.51099 -0.20837 -0.32206 225 22 H 1S 0.01182 0.15307 -0.04310 0.09892 -0.04675 226 2S 0.01727 -0.42562 0.24774 -0.17554 -0.07610 227 23 H 1S -0.00201 0.00231 -0.27906 -0.04279 0.10522 228 2S -0.21910 -0.30415 0.49825 0.06349 -0.37553 229 24 H 1S 0.01531 0.12352 -0.10868 0.25501 0.09958 230 2S 0.03101 -0.41336 0.44947 -0.89734 -0.26089 231 25 H 1S 0.36278 -0.22437 0.24354 -0.03120 -0.14546 232 2S -0.77557 0.54224 -0.44759 -0.06585 0.44867 233 26 H 1S 0.12574 -0.32478 0.08963 0.18194 -0.03135 234 2S -0.53493 0.39019 -0.62587 -0.27111 0.34059 235 27 H 1S -0.02478 -0.05909 -0.03428 0.01030 -0.18222 236 2S -0.12030 0.06328 -0.01313 -0.06258 0.46576 237 28 Br 1S 0.00545 0.00747 0.00387 0.00271 -0.00046 238 2S -0.03634 -0.04816 -0.02543 -0.01669 0.00207 239 3S 0.04405 0.05484 0.02988 0.01748 -0.00045 240 4S 0.08520 0.11933 0.06170 0.04399 -0.00874 241 5S -0.59563 -0.73113 -0.45710 -0.15560 -0.06949 242 6S 1.03663 1.14604 0.77489 0.19069 0.20027 243 7PX -0.01815 -0.00316 -0.00530 0.00611 0.00868 244 7PY -0.01190 -0.01674 -0.00167 -0.00903 -0.00517 245 7PZ -0.00601 -0.01774 -0.01552 -0.00164 0.00852 246 8PX 0.05943 0.01048 0.01727 -0.01993 -0.02848 247 8PY 0.03909 0.05482 0.00555 0.02941 0.01711 248 8PZ 0.01990 0.05846 0.05110 0.00548 -0.02795 249 9PX -0.23987 -0.04886 -0.06681 0.07529 0.11817 250 9PY -0.16515 -0.22341 -0.03083 -0.10430 -0.08113 251 9PZ -0.09455 -0.25703 -0.22403 -0.02644 0.11093 252 10PX 0.36320 0.08920 0.09653 -0.09008 -0.19496 253 10PY 0.30889 0.35200 0.09671 0.06902 0.19179 254 10PZ 0.23766 0.40762 0.38310 0.07563 -0.13045 255 11XX -0.01658 -0.02385 -0.01484 -0.00523 -0.00292 256 11YY -0.02099 -0.01162 -0.00663 0.00076 -0.01409 257 11ZZ -0.02003 -0.03479 -0.01743 -0.01703 0.01688 258 11XY -0.01297 0.00203 0.02381 0.00009 0.01258 259 11XZ -0.02065 -0.01843 -0.02787 -0.00051 0.02098 260 11YZ -0.01722 -0.02393 -0.01853 -0.00415 -0.00206 261 12XX -0.16989 -0.16447 -0.10588 -0.02442 -0.02600 262 12YY -0.14898 -0.22640 -0.14291 -0.07720 0.04627 263 12ZZ -0.13733 -0.11381 -0.09491 0.05036 -0.12507 264 12XY 0.07411 -0.01453 -0.13827 0.00264 -0.07549 265 12XZ 0.11292 0.09844 0.15667 0.00281 -0.11482 266 12YZ 0.10986 0.13916 0.10782 0.01310 0.02081 267 29 C 1S -0.00127 0.00414 0.01575 -0.00104 0.00175 268 2S -0.13586 -0.00359 -0.24185 -0.10296 -0.34077 269 2PX -0.12734 -0.00526 -0.15837 0.07035 -0.18967 270 2PY -0.13519 0.21580 -0.12314 -0.08053 -0.21053 271 2PZ 0.03366 -0.18102 0.02358 0.01950 0.03225 272 3S 0.36994 -0.18404 0.30039 0.15806 0.71616 273 3PX 0.29759 0.04861 0.56791 -0.44949 0.50845 274 3PY 0.09041 -0.47963 0.01047 0.07145 0.26793 275 3PZ -0.01976 0.46487 0.09402 0.13420 -0.02674 276 4XX 0.00372 -0.00843 0.04801 0.02432 0.00330 277 4YY -0.00537 -0.00413 -0.03412 -0.02817 -0.02068 278 4ZZ -0.02060 0.00408 -0.04025 -0.01701 -0.03479 279 4XY 0.05912 -0.00278 0.01796 -0.03128 0.00447 280 4XZ -0.00911 0.01292 0.00498 -0.08216 -0.02082 281 4YZ -0.00589 -0.01844 -0.00771 0.02387 0.00010 282 30 H 1S -0.06297 -0.00865 0.16373 0.21099 0.12366 283 2S 0.26594 0.23105 0.14720 -0.70505 -0.00215 284 31 H 1S -0.08517 0.12906 0.01072 -0.19138 -0.02888 285 2S -0.00279 -0.49023 -0.20795 0.35253 -0.07768 286 32 H 1S 0.22863 -0.02879 0.17701 0.00499 0.12506 287 2S -0.57874 0.29216 -0.43575 0.16572 -0.62809 288 33 H 1S 0.33139 -0.03291 -0.10470 -0.17247 0.27219 289 2S -0.61005 0.34257 0.43927 0.34771 -0.66998 290 34 H 1S 0.14619 -0.01154 -0.07889 -0.05424 0.11100 291 2S -0.25774 -0.19708 0.46456 -0.22537 0.31720 292 35 H 1S 0.15970 -0.17901 0.21427 -0.14087 0.13496 293 2S -0.44406 0.43675 -0.43382 0.35536 -0.09188 294 36 H 1S 0.05668 0.20588 -0.00086 0.43937 -0.06304 295 2S 0.17853 -0.35919 -0.22511 -0.70954 -0.04293 296 37 H 1S -0.02936 0.03394 0.13068 0.16327 0.04129 297 2S 0.29588 -0.06356 -0.18846 -0.54116 -0.07411 298 38 H 1S 0.21592 0.08474 0.00351 0.00089 -0.35772 299 2S -0.39614 -0.34123 0.15262 -0.65163 0.60888 300 39 H 1S 0.10520 0.27007 0.05745 -0.14534 0.24745 301 2S -0.27196 -0.97688 -0.15312 0.28092 -0.45759 302 40 H 1S -0.22788 0.26593 0.15203 -0.08116 0.48054 303 2S 0.19512 -1.05931 -0.29870 -0.01840 -0.58056 176 177 178 179 180 V V V V V Eigenvalues -- 0.81869 0.82400 0.83294 0.83779 0.84533 1 1 C 1S 0.00580 -0.00159 -0.00520 0.00825 0.00079 2 2S -0.41113 0.04440 0.08672 0.04251 -0.01119 3 2PX 0.14597 0.07143 -0.00672 -0.01370 0.04187 4 2PY 0.13908 -0.10687 0.03547 0.00610 -0.01159 5 2PZ -0.07699 -0.15113 0.05898 -0.00322 0.13484 6 3S 0.92096 0.04745 0.03780 0.23040 -0.32219 7 3PX -0.41611 -0.21324 0.43692 0.37013 -0.48266 8 3PY -0.45125 0.36002 -0.14787 -0.37811 0.28484 9 3PZ 0.11000 0.39260 -0.04807 0.33305 -0.60613 10 4XX -0.04580 0.00308 0.04523 0.01149 0.00655 11 4YY 0.00485 0.01731 0.02005 0.00416 0.02066 12 4ZZ -0.00814 -0.02289 -0.04737 0.00898 -0.03712 13 4XY 0.01778 0.00957 0.01967 -0.00888 0.01699 14 4XZ -0.01785 -0.03491 0.03895 -0.00470 0.02405 15 4YZ 0.01940 0.00559 -0.04818 0.00994 -0.01092 16 2 C 1S -0.00635 0.02205 -0.01122 -0.00096 -0.00646 17 2S -0.02558 -0.53568 0.35883 0.29273 -0.04310 18 2PX 0.00007 0.36823 -0.06932 -0.09779 0.03477 19 2PY -0.00155 0.10466 -0.05243 -0.01717 -0.01569 20 2PZ -0.00858 0.17825 -0.12343 -0.05082 0.00332 21 3S 0.00087 1.17550 -0.65825 -0.30302 -0.16278 22 3PX -0.12897 -0.59529 -0.05993 0.08101 0.01536 23 3PY 0.16133 -0.42519 0.03260 0.04274 0.16895 24 3PZ 0.04833 -0.39661 0.42763 0.36614 -0.27091 25 4XX 0.00041 -0.00059 0.01544 -0.01091 0.02498 26 4YY 0.01556 -0.05154 -0.00630 0.06437 -0.04345 27 4ZZ -0.02924 -0.00610 0.03178 -0.00041 -0.00756 28 4XY 0.01949 -0.01991 0.03292 0.02539 0.00062 29 4XZ 0.00795 -0.01210 0.02479 0.01569 -0.01713 30 4YZ 0.00668 0.08202 -0.04369 -0.02273 -0.00418 31 3 C 1S -0.01124 0.00441 0.00368 -0.00598 0.00743 32 2S 0.19347 0.09068 -0.46570 0.49916 -0.55727 33 2PX -0.01897 0.05726 0.12051 -0.15599 0.12845 34 2PY 0.15344 -0.03035 -0.23772 0.21120 -0.31443 35 2PZ 0.07169 -0.01057 0.26722 -0.02350 0.11316 36 3S -0.32842 -0.35442 1.50397 -0.79561 1.39925 37 3PX 0.24278 -0.48930 -0.06787 0.53444 -0.19507 38 3PY -0.27997 -0.03823 0.36260 -0.55274 0.82917 39 3PZ -0.11958 0.24390 -0.70249 -0.14574 -0.18526 40 4XX 0.03937 -0.01287 -0.05375 0.08271 -0.06490 41 4YY -0.00037 -0.00972 0.01269 0.01738 0.01450 42 4ZZ -0.01669 0.03131 -0.01353 -0.02311 -0.01871 43 4XY 0.01262 -0.02123 -0.00704 0.02772 -0.04217 44 4XZ -0.00345 -0.02277 0.01271 -0.03234 0.02112 45 4YZ -0.03968 0.00772 -0.00164 -0.02009 0.01109 46 4 C 1S 0.00316 -0.01002 -0.00211 0.01258 -0.01177 47 2S -0.10208 0.10018 -0.17172 -0.01084 -0.07251 48 2PX 0.00505 0.07460 -0.07337 -0.20731 -0.06587 49 2PY 0.07542 0.00271 -0.01396 -0.08899 -0.00688 50 2PZ 0.10908 0.03085 0.18790 -0.06048 0.04887 51 3S 0.27948 0.11134 0.59483 0.16270 0.22533 52 3PX 0.24730 -0.60179 0.54173 0.76412 0.24287 53 3PY -0.22050 0.13457 -0.26575 -0.06442 -0.01531 54 3PZ -0.21735 0.08763 -0.25129 0.32690 -0.14707 55 4XX -0.01922 0.03240 -0.02610 0.02191 -0.00082 56 4YY 0.01514 -0.01417 -0.01433 0.01134 -0.00687 57 4ZZ -0.00540 -0.00598 0.00967 -0.00741 -0.01890 58 4XY -0.00940 -0.02851 0.03189 -0.01091 0.03583 59 4XZ -0.02235 0.03422 -0.00124 0.00185 -0.01882 60 4YZ -0.01232 0.00345 -0.01911 -0.00787 -0.04642 61 5 C 1S 0.00556 0.00351 -0.00609 0.00387 -0.00529 62 2S -0.02185 0.00498 -0.02329 0.08584 -0.07171 63 2PX 0.02892 -0.13017 0.01181 -0.15173 0.07545 64 2PY 0.17913 -0.05196 -0.06368 -0.05595 0.10298 65 2PZ 0.01347 0.06262 -0.11889 -0.14383 0.05082 66 3S -0.41335 -0.16557 0.12529 -1.16971 0.36150 67 3PX 0.10806 0.63136 -0.05061 0.94697 -0.29454 68 3PY -0.34316 0.03041 -0.14846 0.43804 -0.55811 69 3PZ -0.09730 -0.36499 0.81808 0.58890 -0.16803 70 4XX -0.00421 -0.04871 0.02454 -0.00548 -0.00374 71 4YY -0.01985 0.02098 -0.00819 -0.02161 -0.00076 72 4ZZ 0.01859 0.02100 -0.02773 0.00535 -0.01135 73 4XY 0.00040 -0.00498 -0.00717 0.02265 0.01036 74 4XZ 0.00102 -0.00767 0.00560 0.01721 0.02862 75 4YZ 0.01050 -0.01993 -0.00928 -0.00713 0.00516 76 6 C 1S -0.01799 0.00843 0.02616 0.01718 -0.01308 77 2S -0.11800 -0.00176 0.25714 0.23141 -0.16088 78 2PX 0.02969 -0.03727 0.04573 -0.01279 0.01165 79 2PY -0.01308 -0.01579 -0.10520 -0.05033 -0.01025 80 2PZ 0.01941 0.05862 0.13084 0.33814 -0.22493 81 3S -0.02410 0.17949 -1.42097 -0.86487 0.07199 82 3PX -0.08004 -0.00111 0.00817 0.38325 -0.53491 83 3PY 0.48619 0.48832 0.30756 1.14479 -0.02946 84 3PZ -0.18051 -0.17718 -0.47692 -1.32522 0.68118 85 4XX -0.01274 0.02707 -0.01148 0.02064 -0.00598 86 4YY -0.02424 0.00255 0.05866 0.04237 -0.04834 87 4ZZ -0.00338 -0.01000 -0.00836 -0.02394 0.01243 88 4XY -0.00227 0.01831 -0.01891 0.01979 -0.01477 89 4XZ 0.04354 -0.00190 -0.04017 -0.00566 -0.02544 90 4YZ -0.03054 0.02785 0.05408 0.01648 -0.01736 91 7 C 1S -0.01868 0.00693 0.01257 0.01188 -0.01426 92 2S 0.09393 0.23575 0.13685 0.14491 -0.06438 93 2PX 0.02149 0.05644 0.05792 0.05081 0.00426 94 2PY -0.10262 -0.06266 0.00591 -0.04614 -0.06701 95 2PZ 0.10411 0.03126 0.09289 0.04938 -0.00673 96 3S -0.54766 -0.66220 -0.20404 -0.20583 -0.14123 97 3PX -0.87999 -0.42291 -0.36042 -1.06661 -0.34164 98 3PY 0.39540 0.50156 0.41210 0.95462 0.20675 99 3PZ -0.73754 -0.02947 0.10539 0.03060 -0.46404 100 4XX -0.03087 0.00569 -0.02145 -0.01307 -0.00406 101 4YY 0.04403 -0.00797 0.00256 -0.00087 0.00462 102 4ZZ -0.02835 0.03221 0.04246 0.03496 -0.02136 103 4XY 0.00203 -0.00473 -0.00593 -0.01792 -0.01615 104 4XZ 0.01840 -0.00031 0.03789 0.02142 -0.03289 105 4YZ 0.04635 -0.00606 -0.03431 -0.03515 0.02370 106 8 C 1S 0.00029 0.00618 0.00161 -0.00333 0.00001 107 2S -0.42928 0.07538 -0.22043 -0.31451 -0.01539 108 2PX 0.15245 0.10066 0.03027 0.03603 0.08153 109 2PY 0.14289 -0.01014 0.03293 0.10587 -0.02383 110 2PZ -0.02247 -0.01129 -0.22360 -0.22856 0.10234 111 3S 1.45233 -0.09651 0.81496 1.42172 0.06665 112 3PX -1.13309 -0.67948 -0.19172 -0.86418 -0.60362 113 3PY -0.20143 -0.25645 -0.17359 -0.40694 -0.10674 114 3PZ 0.00344 -0.03080 0.36659 0.28738 -0.26705 115 4XX -0.02814 0.01912 -0.01312 0.01444 0.01694 116 4YY 0.00536 -0.02150 -0.00809 -0.04771 -0.00648 117 4ZZ -0.02473 0.02294 -0.00204 0.00766 0.00147 118 4XY -0.02413 0.00757 -0.01356 0.00272 0.03106 119 4XZ -0.02285 -0.00631 -0.03297 -0.04357 0.02290 120 4YZ 0.03967 0.00819 0.03553 -0.00594 -0.00609 121 9 C 1S 0.00401 -0.00485 0.00381 -0.00291 -0.00292 122 2S -0.16646 0.28425 0.07933 0.15473 0.01352 123 2PX -0.06139 0.12848 0.08575 -0.06775 -0.02026 124 2PY -0.00120 0.15591 -0.04451 0.10041 0.03350 125 2PZ -0.17044 0.08625 -0.00217 -0.07311 -0.09495 126 3S 0.17237 -0.42275 -0.17301 -0.76450 -0.53421 127 3PX 0.47581 -0.68328 -0.52905 0.20221 0.11212 128 3PY -0.29448 -0.51799 0.13823 -0.43854 -0.11717 129 3PZ 0.64736 -0.02140 -0.10578 0.55475 0.87150 130 4XX -0.00954 0.01827 -0.00264 -0.00386 -0.02673 131 4YY -0.01341 0.06126 0.03057 0.04626 -0.00106 132 4ZZ -0.00032 -0.03651 -0.01652 -0.05075 0.00161 133 4XY 0.01167 -0.03440 -0.03331 0.00793 0.03532 134 4XZ 0.01828 -0.01827 -0.02592 -0.01738 -0.01700 135 4YZ 0.01164 -0.04288 -0.00024 -0.02155 -0.01142 136 10 C 1S 0.00113 0.00891 -0.00193 -0.00037 -0.00075 137 2S 0.22046 -0.10245 0.00038 -0.45868 -0.39795 138 2PX -0.01934 -0.01822 -0.08213 -0.07481 -0.00939 139 2PY -0.10543 -0.07953 -0.08972 0.04583 0.19148 140 2PZ -0.35986 0.07846 -0.00230 0.04682 0.13162 141 3S -0.66910 0.11988 0.16316 1.63373 1.21615 142 3PX 0.05680 0.29083 0.21838 0.20138 0.25265 143 3PY 0.04416 0.33760 0.40424 -0.31407 -0.78608 144 3PZ 1.11633 -0.32411 -0.38174 0.02359 -0.09089 145 4XX 0.03162 -0.01466 0.01146 -0.05281 -0.03397 146 4YY 0.02865 -0.03892 -0.03986 -0.02310 -0.00895 147 4ZZ -0.02029 0.05747 0.03071 0.03765 0.00574 148 4XY -0.01302 0.01424 -0.01954 0.01734 0.00356 149 4XZ 0.01286 0.03014 -0.01387 0.04508 0.03808 150 4YZ -0.02221 0.01808 0.00671 0.04698 0.04993 151 11 C 1S 0.01144 0.00065 0.00424 -0.01425 -0.00831 152 2S 0.06120 0.03628 -0.19195 0.16600 0.19788 153 2PX 0.09680 0.00544 -0.04925 -0.21612 0.03016 154 2PY 0.05269 0.00336 -0.15023 0.16608 0.11430 155 2PZ -0.12283 0.05601 -0.10152 0.02301 -0.05478 156 3S -0.17032 -0.45666 0.18384 -0.60196 -0.67991 157 3PX -0.41373 0.21468 0.21400 0.56959 -0.45049 158 3PY -0.26192 -0.00406 0.45099 -0.36938 -0.13303 159 3PZ 0.19561 -0.06226 0.31757 -0.14017 0.25984 160 4XX 0.02151 -0.00444 -0.04340 0.00059 0.00211 161 4YY -0.01787 -0.02461 0.00575 -0.03769 -0.01520 162 4ZZ 0.02206 0.02309 0.00502 0.03401 0.02042 163 4XY -0.00278 -0.00907 -0.00847 0.00148 -0.01477 164 4XZ -0.01853 0.03243 0.04390 -0.00138 -0.03956 165 4YZ -0.03413 -0.01237 0.01996 -0.00801 -0.01447 166 12 H 1S 0.11427 0.14351 0.09096 -0.06129 -0.07960 167 2S 0.03074 -0.07910 -0.14492 0.34598 0.28551 168 13 H 1S -0.04245 0.00815 0.20051 -0.08428 -0.15903 169 2S 0.23060 0.08542 -0.68441 0.27668 0.26843 170 14 C 1S -0.00777 0.01549 0.00578 0.00171 -0.00623 171 2S 0.42498 -0.13290 -0.17322 -0.22665 0.08532 172 2PX 0.24929 0.11591 -0.03973 -0.00600 0.03402 173 2PY 0.22190 0.07614 -0.05025 -0.04918 -0.06924 174 2PZ -0.07943 0.08290 0.09063 -0.03855 -0.19164 175 3S -0.71495 0.09206 0.31695 0.32186 0.25315 176 3PX -0.58201 -0.27009 -0.06863 0.16597 -0.08694 177 3PY -0.23130 -0.09914 0.18620 -0.00544 0.34701 178 3PZ 0.14529 -0.14611 -0.28671 0.20079 0.51245 179 4XX 0.01761 -0.01840 -0.00863 -0.01904 0.03391 180 4YY 0.00177 0.01230 -0.01921 0.03251 0.01065 181 4ZZ 0.04474 -0.00062 0.00551 -0.04522 -0.01515 182 4XY -0.07792 0.01927 0.03217 0.02460 -0.04462 183 4XZ 0.02654 0.02670 0.01070 0.01209 0.00542 184 4YZ 0.01980 0.02608 0.00036 -0.01965 -0.03926 185 15 H 1S -0.35497 0.08656 0.10412 0.12164 -0.12053 186 2S 0.99293 0.06577 -0.28187 -0.29297 0.05356 187 16 H 1S -0.01867 0.22775 0.10782 -0.02864 -0.23238 188 2S -0.03164 -0.38035 -0.25839 0.15277 0.61513 189 17 C 1S -0.00482 -0.00898 -0.00756 -0.01137 -0.01987 190 2S 0.22043 0.31332 0.19526 -0.06673 0.34351 191 2PX 0.18243 0.18169 0.12613 -0.04223 0.17990 192 2PY 0.12174 -0.06929 -0.00887 0.01351 0.06189 193 2PZ 0.12754 -0.04797 0.07039 -0.06492 0.02839 194 3S 0.07244 -0.51834 -0.22452 0.26871 -0.60096 195 3PX -0.43603 -0.31097 -0.25900 0.40037 -0.16799 196 3PY -0.46525 0.16797 0.05750 -0.30187 -0.41473 197 3PZ -0.13975 0.02217 -0.21089 0.26015 0.11402 198 4XX -0.00900 -0.02544 0.00538 0.00857 0.01596 199 4YY 0.05145 0.05186 0.04273 -0.02239 0.00427 200 4ZZ 0.00980 0.01505 -0.01839 -0.00866 0.01169 201 4XY 0.02863 0.05483 0.01757 0.04772 0.02451 202 4XZ -0.00251 0.03760 -0.00677 0.06799 0.04494 203 4YZ -0.05573 -0.01109 -0.03158 0.01031 -0.05180 204 18 C 1S -0.00057 0.00191 -0.00936 0.00644 0.01347 205 2S 0.16078 0.23916 0.34601 -0.38214 -0.53124 206 2PX 0.24334 0.16200 0.09762 0.07846 0.02365 207 2PY 0.03679 -0.13540 -0.18396 0.16883 0.24647 208 2PZ 0.06944 0.06170 0.02752 -0.07355 -0.05645 209 3S -0.82178 -0.36313 -0.52520 0.74011 1.15889 210 3PX -0.75995 -0.39259 -0.32881 -0.44116 -0.46598 211 3PY -0.39455 0.42485 0.33624 -0.26822 -0.47707 212 3PZ -0.21186 -0.00808 0.10641 0.05727 0.01793 213 4XX 0.00393 0.04364 0.06483 -0.04378 -0.03554 214 4YY -0.00450 -0.01506 0.01020 -0.02779 -0.02378 215 4ZZ 0.00693 0.02053 -0.02567 0.02609 0.00344 216 4XY 0.03138 0.01605 0.01241 -0.01441 -0.01131 217 4XZ -0.02294 -0.04852 -0.05090 0.00019 0.04746 218 4YZ 0.01230 0.00710 0.00205 -0.04133 -0.03848 219 19 H 1S -0.03835 -0.05541 -0.21758 0.05141 0.13058 220 2S -0.24536 0.23081 0.47014 -0.22640 -0.53505 221 20 H 1S -0.17047 -0.16601 -0.26089 0.18735 0.34266 222 2S 0.49033 0.56927 0.57849 -0.43185 -0.68590 223 21 H 1S -0.15525 0.03967 -0.16918 0.05451 -0.25579 224 2S 0.51924 -0.00788 0.35688 -0.33930 0.39635 225 22 H 1S -0.15570 -0.27993 -0.11769 -0.29111 -0.36312 226 2S 0.28810 0.69932 0.27549 0.03019 0.48385 227 23 H 1S -0.20615 0.16828 0.02905 0.38980 0.29337 228 2S 1.01791 -0.37785 -0.12308 -0.94425 -0.90985 229 24 H 1S 0.08089 -0.28383 -0.07849 -0.19337 -0.07040 230 2S -0.46122 0.80546 0.30487 0.27004 -0.22318 231 25 H 1S 0.27603 -0.03999 0.14171 -0.00279 -0.11548 232 2S -0.52404 0.06497 -0.30515 -0.22628 0.08832 233 26 H 1S 0.09599 0.11741 0.13818 0.13887 -0.03358 234 2S -0.19704 -0.04523 -0.47233 -0.56668 0.20936 235 27 H 1S -0.26380 0.00026 -0.05255 -0.03823 -0.08095 236 2S 0.45977 0.17855 0.08184 0.04184 0.20228 237 28 Br 1S -0.00279 0.00350 0.00580 0.00475 -0.00377 238 2S 0.02084 -0.02498 -0.03667 -0.03109 0.02519 239 3S -0.03017 0.03372 0.03971 0.03642 -0.02998 240 4S -0.03940 0.05255 0.09633 0.07563 -0.06191 241 5S 0.64990 -0.57970 -0.62818 -0.55690 0.38159 242 6S -1.41818 1.13429 1.07357 0.96215 -0.66904 243 7PX 0.00210 0.00879 -0.00881 -0.01239 -0.00029 244 7PY 0.00963 -0.01221 -0.01003 -0.00862 0.00899 245 7PZ 0.00401 -0.00117 -0.01152 -0.00584 0.01128 246 8PX -0.00704 -0.02873 0.02918 0.04092 0.00099 247 8PY -0.03173 0.04016 0.03280 0.02822 -0.02931 248 8PZ -0.01349 0.00408 0.03796 0.01939 -0.03719 249 9PX 0.03821 0.10894 -0.13752 -0.18598 -0.00547 250 9PY 0.14294 -0.17066 -0.13471 -0.10890 0.10872 251 9PZ 0.08138 -0.03797 -0.17674 -0.10036 0.16923 252 10PX -0.12762 -0.09198 0.30780 0.40277 -0.00079 253 10PY -0.33051 0.28997 0.23063 0.08680 -0.10395 254 10PZ -0.41466 0.22308 0.43860 0.27879 -0.42783 255 11XX -0.00242 -0.01864 -0.00976 -0.02190 0.00216 256 11YY 0.00599 -0.01118 -0.00941 0.00264 0.00140 257 11ZZ 0.03735 -0.01567 -0.03187 -0.02780 0.03666 258 11XY 0.01015 0.01335 -0.01430 -0.01744 -0.00712 259 11XZ -0.00529 -0.00010 -0.02322 -0.01760 0.02038 260 11YZ 0.01211 -0.00583 -0.01044 0.00519 0.01295 261 12XX 0.32053 -0.16658 -0.17968 -0.09767 0.15123 262 12YY 0.27095 -0.21231 -0.18271 -0.26792 0.18068 263 12ZZ 0.05050 -0.15121 -0.02590 -0.04836 -0.08077 264 12XY -0.06644 -0.06981 0.08158 0.09366 0.04352 265 12XZ 0.01974 0.01877 0.14628 0.12298 -0.11443 266 12YZ -0.09222 0.03824 0.07271 -0.03732 -0.07608 267 29 C 1S 0.00753 -0.00941 0.00632 -0.00699 -0.00201 268 2S -0.03180 -0.12049 -0.21784 0.05129 -0.05534 269 2PX 0.07991 -0.12157 0.22596 0.15079 -0.00332 270 2PY -0.05235 0.09037 0.00911 0.08950 -0.08664 271 2PZ -0.01341 -0.04951 -0.13210 -0.02348 0.07203 272 3S 0.20808 0.47577 0.15347 -0.31149 0.29023 273 3PX -0.42754 0.00924 -0.52244 -0.70265 0.16463 274 3PY 0.22962 -0.17104 0.23672 -0.17945 0.34802 275 3PZ -0.13173 0.10253 0.22925 0.38511 -0.45188 276 4XX -0.03184 -0.07273 -0.01858 0.00369 -0.04656 277 4YY 0.03494 0.02104 -0.01040 -0.00684 0.03080 278 4ZZ 0.00631 0.03103 -0.01403 -0.00056 0.01216 279 4XY 0.02988 0.04390 -0.07968 0.01598 -0.02011 280 4XZ -0.02800 0.01344 0.01207 -0.04936 0.02819 281 4YZ -0.00105 -0.04489 -0.03979 -0.00471 -0.00955 282 30 H 1S -0.08155 -0.34653 0.19764 -0.05513 -0.07714 283 2S -0.19636 0.41722 -0.65775 -0.43057 0.19198 284 31 H 1S 0.03132 0.16787 0.31020 -0.15313 0.12864 285 2S 0.26313 -0.52042 -0.35120 0.08011 0.07936 286 32 H 1S 0.16196 0.03391 -0.16747 0.03300 -0.08971 287 2S -0.20170 -0.13606 0.46147 0.40870 -0.24897 288 33 H 1S 0.01580 -0.06299 0.03975 -0.00925 -0.20302 289 2S -0.30037 0.17977 -0.36669 0.21361 0.16330 290 34 H 1S 0.03311 -0.14221 0.08824 0.06630 0.05205 291 2S -0.06481 0.32446 -0.29135 -0.28409 -0.33889 292 35 H 1S -0.25526 0.09325 0.15096 -0.26507 0.22391 293 2S 0.54417 -0.15211 -0.18759 0.79341 -0.81453 294 36 H 1S -0.06921 0.02066 0.20579 -0.21641 0.20573 295 2S 0.15129 0.05071 -0.91869 0.65848 -0.85778 296 37 H 1S -0.05488 0.46511 -0.25608 -0.08124 -0.09021 297 2S 0.10542 -1.06157 0.57644 0.34060 0.06186 298 38 H 1S -0.11886 0.38814 -0.25425 -0.17803 0.04948 299 2S -0.04113 -0.79347 0.26743 0.31914 -0.09806 300 39 H 1S 0.22126 0.03304 -0.27715 0.06484 -0.07130 301 2S -0.34654 -0.37188 0.50652 -0.10667 0.34516 302 40 H 1S 0.17006 0.06763 0.11496 0.03906 0.08650 303 2S -0.79527 -0.05593 -0.14188 -0.14703 -0.04061 181 182 183 184 185 V V V V V Eigenvalues -- 0.85711 0.86394 0.87171 0.87752 0.88205 1 1 C 1S -0.00649 0.01197 0.00741 -0.00531 -0.00677 2 2S 0.28183 0.44161 -0.08146 0.03008 -0.06713 3 2PX -0.05144 -0.09915 0.10287 0.04260 0.03383 4 2PY -0.19234 -0.18958 -0.01359 -0.04537 -0.08918 5 2PZ 0.03488 -0.08266 -0.07573 0.03413 0.02579 6 3S -0.87298 -0.85650 0.52945 0.32364 0.22679 7 3PX 0.03200 0.32234 -0.48091 -0.06964 0.11904 8 3PY 0.46474 0.40747 -0.08700 -0.12072 0.33489 9 3PZ -0.16871 0.08843 0.07634 -0.25259 -0.17577 10 4XX 0.04112 0.05710 -0.00242 0.02405 0.02084 11 4YY 0.02435 0.01714 -0.01809 -0.02313 0.04287 12 4ZZ -0.04934 0.00205 0.03052 0.00355 -0.08091 13 4XY 0.01802 0.01667 -0.00497 -0.00339 0.01190 14 4XZ 0.03675 0.02996 0.00934 0.00062 -0.00129 15 4YZ -0.01437 -0.03128 0.00866 0.00535 -0.01008 16 2 C 1S 0.00965 0.00810 -0.00872 0.00302 0.00232 17 2S -0.30083 0.43061 0.35817 -0.06585 -0.29628 18 2PX 0.17766 -0.04206 -0.09809 -0.03098 0.12459 19 2PY 0.01639 0.00357 -0.09141 0.02328 0.12080 20 2PZ 0.05568 -0.03910 -0.06435 0.03425 0.03327 21 3S 0.93010 -0.63649 -0.85295 -0.03090 0.56789 22 3PX -0.27440 0.15451 0.29164 0.14967 -0.17145 23 3PY 0.04343 -0.13259 0.34715 0.07579 -0.37309 24 3PZ -0.11259 0.06920 -0.12983 -0.11091 -0.09824 25 4XX 0.00192 0.02321 0.02903 0.00276 0.00861 26 4YY -0.03399 0.01540 0.01794 -0.00472 -0.05902 27 4ZZ 0.01158 0.03574 -0.01636 -0.00612 0.00919 28 4XY 0.02299 0.02023 -0.00493 -0.01187 0.01688 29 4XZ -0.02366 0.01721 0.01048 -0.02790 -0.03890 30 4YZ 0.00967 -0.03073 -0.03171 -0.00071 0.01884 31 3 C 1S -0.01231 0.01208 0.01793 -0.00422 -0.01271 32 2S 0.30202 0.21196 -0.29134 0.05224 -0.13217 33 2PX 0.00428 0.02643 0.07564 0.01854 0.05908 34 2PY 0.03508 -0.04691 -0.24061 0.08001 -0.01062 35 2PZ 0.17258 -0.02210 -0.06085 0.04645 0.11754 36 3S -0.35132 0.11955 0.57778 -0.07627 0.79796 37 3PX 0.22588 0.14735 -0.06183 0.06756 -0.18752 38 3PY 0.19849 0.18517 0.58234 -0.05777 0.36884 39 3PZ -0.48252 0.06398 0.50716 -0.10330 -0.50257 40 4XX 0.00211 0.03003 -0.02946 0.01144 -0.01452 41 4YY 0.06662 0.03671 -0.01856 0.00863 0.06510 42 4ZZ -0.03866 -0.00574 0.02877 -0.01421 -0.06961 43 4XY -0.02471 -0.01298 -0.00330 -0.01004 -0.04712 44 4XZ -0.03240 -0.03197 0.02363 0.00468 -0.02603 45 4YZ 0.00570 0.00703 -0.01021 -0.00059 0.02781 46 4 C 1S 0.00325 0.00765 -0.00818 -0.00152 -0.00111 47 2S -0.43433 0.61296 -0.03599 -0.11175 0.10676 48 2PX -0.15108 0.05238 -0.01541 -0.01340 -0.03333 49 2PY 0.07869 0.22563 0.05187 0.13079 0.03431 50 2PZ 0.39735 -0.03977 0.16584 0.10244 -0.12059 51 3S 1.62425 -1.06437 0.35513 0.15533 -0.33441 52 3PX 0.69470 0.06322 -0.17934 0.18647 0.30254 53 3PY -0.62196 -0.90394 -0.08407 -0.24754 -0.50548 54 3PZ -0.55168 0.08223 -0.45823 -0.41720 0.20434 55 4XX -0.01804 0.06550 -0.02543 -0.01365 0.06477 56 4YY -0.00805 -0.00278 0.01026 -0.03217 -0.03460 57 4ZZ -0.01430 0.03390 0.00204 0.03039 -0.01599 58 4XY 0.04175 -0.02170 0.00364 0.00029 0.02824 59 4XZ -0.00463 0.01907 -0.01464 -0.01941 0.01530 60 4YZ -0.02371 -0.04358 -0.02991 0.01179 -0.01793 61 5 C 1S 0.00252 0.00552 -0.00125 0.00683 -0.00180 62 2S 0.07382 0.18105 -0.04749 -0.05618 -0.02639 63 2PX -0.08508 -0.03798 -0.10303 0.01143 0.14450 64 2PY 0.00622 -0.02394 0.09685 0.03360 -0.08160 65 2PZ -0.14095 -0.18881 0.06466 0.01506 -0.12193 66 3S -0.71831 -0.11957 -0.11298 -0.77096 -0.29119 67 3PX 0.29698 0.05863 0.89872 -0.37272 -0.84264 68 3PY -0.36705 -0.10381 -0.26489 0.19412 0.50727 69 3PZ 0.58125 0.74904 -0.66074 -0.34020 0.90445 70 4XX 0.02041 0.02769 -0.01996 -0.01696 -0.01216 71 4YY -0.01047 -0.02164 -0.00160 0.01233 -0.00614 72 4ZZ -0.02170 0.04121 0.01220 -0.01581 -0.00162 73 4XY -0.00353 -0.02118 -0.00954 -0.02845 -0.00651 74 4XZ 0.01274 -0.00520 0.02688 -0.00655 -0.04321 75 4YZ 0.01035 -0.02601 0.01604 0.01842 -0.01524 76 6 C 1S 0.00971 0.02151 -0.01306 -0.00871 -0.00036 77 2S -0.10802 0.31863 -0.10284 -0.15547 -0.00100 78 2PX 0.01271 -0.03062 -0.09075 -0.12641 0.00653 79 2PY -0.15953 -0.11553 -0.03200 -0.07967 0.00746 80 2PZ -0.12388 -0.03745 0.01700 -0.08461 -0.15779 81 3S -0.14034 -0.82063 0.31742 0.23698 -0.40295 82 3PX -0.23207 -0.01775 0.23600 0.85104 0.36848 83 3PY 0.70524 0.37787 0.93528 0.38160 -0.28677 84 3PZ 0.22006 0.21271 -0.13890 0.19788 0.31508 85 4XX -0.01399 0.00162 -0.00391 0.00463 0.01670 86 4YY 0.01276 0.04703 -0.04676 -0.02667 0.01129 87 4ZZ 0.00220 0.00275 0.02180 -0.00163 -0.03955 88 4XY -0.01484 -0.01942 0.00837 -0.01219 -0.00578 89 4XZ -0.03678 -0.03123 0.00239 0.00260 -0.02459 90 4YZ 0.04992 0.06411 -0.01188 0.00541 0.01510 91 7 C 1S 0.00999 0.03077 -0.00082 0.00197 -0.01375 92 2S 0.04320 0.09266 0.03030 0.01634 -0.09012 93 2PX 0.08494 0.03738 0.04535 0.05179 0.11282 94 2PY 0.02372 0.03760 -0.04939 -0.04628 -0.00141 95 2PZ 0.03162 0.07148 0.03106 0.03735 0.07122 96 3S -0.21017 -0.05823 -0.21075 -0.52051 -0.64496 97 3PX -0.68959 0.08883 -0.79092 -0.85994 -1.04715 98 3PY 0.29239 0.16295 0.56467 0.02281 -0.13153 99 3PZ -0.26572 0.30300 -0.29341 -0.41930 -0.45571 100 4XX -0.00118 0.01305 -0.00345 0.00862 -0.03172 101 4YY -0.00720 -0.01160 0.00914 0.00988 0.00436 102 4ZZ 0.01675 0.04269 -0.00428 -0.02674 -0.02074 103 4XY 0.01488 0.00634 0.00508 0.03258 0.01615 104 4XZ 0.02421 0.03369 -0.00905 0.03685 0.02469 105 4YZ -0.03218 -0.04038 0.02780 0.01209 0.00200 106 8 C 1S -0.00388 0.00171 -0.00455 -0.00992 -0.01924 107 2S 0.03323 0.26886 -0.16520 0.07074 -0.49847 108 2PX 0.04136 -0.09174 0.02937 0.03858 0.10896 109 2PY -0.00772 -0.02937 0.12736 -0.00068 0.16722 110 2PZ -0.05507 -0.06867 -0.00873 -0.01305 -0.12189 111 3S 0.18104 -0.53471 0.66408 0.33097 2.28972 112 3PX -0.75271 0.28678 -0.79366 -0.79675 -0.71027 113 3PY -0.01263 0.05229 -0.53034 0.13496 -0.07660 114 3PZ 0.20748 -0.00259 0.00570 0.05087 0.17243 115 4XX 0.03266 0.02542 -0.00566 0.04022 -0.02223 116 4YY -0.01291 -0.02100 -0.00989 0.00361 0.02559 117 4ZZ -0.01049 0.03073 -0.00278 -0.03633 -0.05754 118 4XY -0.00647 -0.01796 -0.00605 -0.02321 -0.01666 119 4XZ -0.01324 -0.01314 0.00829 -0.02488 -0.02063 120 4YZ -0.00666 -0.01756 0.00320 -0.01220 0.01412 121 9 C 1S -0.00552 0.00656 -0.00711 -0.00095 -0.00048 122 2S -0.08216 -0.08181 0.02922 -0.23290 -0.27091 123 2PX -0.06123 -0.11829 -0.00318 -0.15523 -0.17861 124 2PY 0.12041 -0.14613 0.13404 0.02849 -0.03881 125 2PZ -0.00829 -0.21498 -0.00805 -0.09238 -0.11034 126 3S 0.12670 0.37616 0.06667 0.40251 0.49110 127 3PX 0.45416 0.21791 0.03751 0.68320 0.90348 128 3PY -0.78415 0.18213 -0.79783 -0.53415 0.48497 129 3PZ 0.15925 0.41122 0.29369 0.32439 0.35828 130 4XX -0.00146 -0.02835 0.02376 -0.03300 -0.02964 131 4YY -0.01441 0.00772 0.00647 -0.01636 -0.02246 132 4ZZ -0.00475 0.02282 -0.03114 0.00885 0.00408 133 4XY 0.02115 0.01974 -0.02275 0.03672 0.01557 134 4XZ -0.00134 0.02639 -0.01023 0.03678 -0.00051 135 4YZ -0.00362 0.05925 -0.01275 0.02180 0.02780 136 10 C 1S -0.00378 0.00418 0.00475 -0.01559 -0.01042 137 2S 0.01173 0.21224 -0.00697 0.08105 -0.29055 138 2PX -0.11431 -0.09799 -0.15698 -0.09476 0.03094 139 2PY -0.03786 -0.01174 -0.13085 -0.14282 0.18500 140 2PZ -0.24195 -0.08577 -0.17500 -0.33690 0.16591 141 3S 0.17513 -0.30846 -0.22269 0.30393 1.52841 142 3PX 0.27613 0.05747 1.05151 0.28999 -0.78829 143 3PY 0.00792 -0.11134 0.18713 0.48814 -0.66811 144 3PZ 0.82613 0.24169 0.53850 1.27842 -0.32257 145 4XX -0.01176 0.01068 -0.03316 0.04469 0.01112 146 4YY 0.01958 0.02420 0.01818 0.02126 -0.00093 147 4ZZ -0.00073 -0.00127 0.02479 -0.05344 -0.04285 148 4XY -0.02215 -0.02084 0.02000 0.00680 -0.00138 149 4XZ -0.00488 -0.01618 0.01442 -0.01679 0.01089 150 4YZ -0.00249 0.03261 -0.00371 -0.05518 0.02738 151 11 C 1S -0.00244 0.00486 -0.01475 -0.00559 -0.01216 152 2S -0.18340 0.26569 0.33130 0.09911 0.03231 153 2PX -0.08253 0.13731 0.00742 -0.05621 0.01283 154 2PY -0.03575 0.12163 0.21382 0.06886 0.08271 155 2PZ 0.00837 0.18848 0.08120 -0.00727 0.21008 156 3S 0.66732 -0.60600 -0.94539 -0.40512 0.10893 157 3PX 0.23893 -0.57902 0.21579 0.25680 -0.23741 158 3PY -0.10240 -0.36640 -0.31135 0.01374 -0.14779 159 3PZ -0.30245 -0.51472 -0.47062 -0.32952 -0.29474 160 4XX -0.00008 0.03319 0.04725 -0.01788 -0.00560 161 4YY -0.03506 0.00202 -0.00433 0.02482 0.01454 162 4ZZ 0.01557 0.01464 -0.01679 -0.01369 -0.01642 163 4XY 0.00602 -0.02013 -0.01584 0.03213 -0.02002 164 4XZ -0.01028 -0.00602 -0.04169 -0.00807 -0.01446 165 4YZ 0.01592 -0.04215 -0.01072 -0.00351 -0.06157 166 12 H 1S 0.03639 0.12381 -0.18278 -0.13789 0.01300 167 2S -0.09094 -0.36490 0.32296 0.09220 -0.32985 168 13 H 1S 0.10796 -0.19002 -0.33049 -0.08459 -0.29498 169 2S -0.19016 0.95526 0.84507 0.24370 0.67903 170 14 C 1S -0.01275 0.00275 0.00963 0.01507 -0.01013 171 2S 0.25339 0.16810 -0.15812 -0.80623 -0.23198 172 2PX 0.00140 0.12884 -0.04958 -0.20745 -0.05770 173 2PY 0.05094 0.09153 0.03575 -0.09698 -0.07839 174 2PZ -0.15321 0.02550 0.08855 0.36257 0.09211 175 3S -0.76466 -0.18466 0.23250 1.83314 0.60131 176 3PX 0.34195 -0.16959 0.31433 0.37902 0.06555 177 3PY -0.18064 0.07299 -0.21853 -0.05798 0.14825 178 3PZ 0.31998 0.05910 -0.15834 -0.53757 -0.21383 179 4XX -0.00233 0.00003 -0.00549 -0.04278 -0.01392 180 4YY 0.00133 -0.00731 -0.00427 -0.00183 -0.01426 181 4ZZ 0.01446 0.04366 -0.00732 -0.05197 -0.01605 182 4XY -0.02513 -0.04682 0.01545 0.07398 0.01744 183 4XZ 0.00581 0.01117 -0.02196 0.01980 -0.02974 184 4YZ 0.00552 0.02069 0.03056 0.01892 -0.01709 185 15 H 1S -0.24516 -0.20216 0.08578 0.50364 0.06411 186 2S 0.34620 0.39699 -0.18585 -1.06097 -0.35974 187 16 H 1S -0.10933 0.09010 0.12811 0.36991 -0.10389 188 2S 0.36368 -0.09179 -0.31227 -0.99158 -0.09157 189 17 C 1S 0.00918 0.00022 0.01216 -0.01395 -0.00177 190 2S -0.40335 0.30085 -0.44623 0.33996 -0.40475 191 2PX -0.19525 0.17886 -0.29966 0.13782 -0.17941 192 2PY 0.04110 -0.02815 0.02836 0.02283 0.05755 193 2PZ -0.03385 -0.03723 -0.06665 0.10273 0.03290 194 3S 0.85057 -0.75569 1.03268 -1.02200 1.36601 195 3PX 0.21079 -0.43453 0.37968 -0.11916 0.40266 196 3PY -0.23981 0.01257 -0.01140 -0.01118 -0.31688 197 3PZ 0.24082 -0.02007 0.28141 -0.11437 0.07173 198 4XX -0.01624 -0.02745 -0.00675 0.03332 0.03201 199 4YY -0.02473 0.02856 -0.02095 0.00237 -0.03139 200 4ZZ -0.00631 0.04083 -0.02525 -0.01446 -0.04310 201 4XY -0.03017 -0.00076 -0.00636 0.02564 0.02103 202 4XZ -0.01775 0.00780 -0.02404 0.00036 -0.00336 203 4YZ 0.03508 -0.01611 0.05796 -0.01324 -0.00221 204 18 C 1S 0.00153 0.01054 -0.00359 -0.00593 -0.02188 205 2S -0.23785 0.11546 0.10640 -0.36904 0.31035 206 2PX 0.01352 -0.02823 0.03506 -0.06072 0.09324 207 2PY 0.17734 -0.09225 0.02849 0.17694 -0.17588 208 2PZ 0.06469 0.08244 -0.02004 -0.07390 -0.15920 209 3S 0.06072 -0.39068 -0.44596 0.65830 -1.18369 210 3PX 0.04938 0.05129 0.08560 0.31197 -0.42970 211 3PY -0.52394 0.34841 -0.17076 -0.41051 -0.14012 212 3PZ -0.30874 -0.15587 -0.06741 -0.03350 0.21964 213 4XX -0.05482 0.01341 -0.00967 -0.04564 0.00938 214 4YY -0.00388 -0.02895 0.01378 -0.01197 0.03377 215 4ZZ 0.00699 0.04016 -0.00129 -0.00617 -0.04028 216 4XY -0.01507 0.01821 -0.01146 0.03148 0.00066 217 4XZ 0.03116 0.02727 -0.02779 0.02361 -0.03068 218 4YZ 0.01728 0.01301 0.00642 -0.01662 -0.05388 219 19 H 1S 0.14773 0.19034 -0.07829 0.06374 -0.48724 220 2S -0.58822 -0.00665 0.07028 -0.37655 0.78078 221 20 H 1S 0.06617 0.07617 -0.16093 0.10673 -0.23967 222 2S -0.22019 0.20802 0.13288 -0.51206 0.28632 223 21 H 1S 0.18075 0.02017 0.26896 -0.23013 -0.02983 224 2S -0.37705 0.23187 -0.65697 0.52286 -0.24528 225 22 H 1S 0.25077 -0.10956 0.34305 -0.25884 0.06892 226 2S -0.56697 0.52703 -0.65889 0.35529 -0.61939 227 23 H 1S -0.07967 0.05249 -0.02991 -0.36905 0.11087 228 2S 0.50642 0.01020 0.41820 1.41768 -0.93113 229 24 H 1S -0.04740 0.39326 -0.16190 0.16797 0.12859 230 2S 0.18331 -0.93283 0.31668 -0.52860 -0.84985 231 25 H 1S -0.06963 -0.08051 0.01568 -0.02540 0.19401 232 2S 0.21086 0.26456 -0.32232 0.18925 -0.64011 233 26 H 1S -0.06927 0.01183 0.06052 -0.13885 -0.06710 234 2S -0.01929 0.06014 -0.15762 0.21401 -0.30836 235 27 H 1S 0.05817 0.12293 -0.03861 -0.02555 -0.16044 236 2S -0.11048 -0.12246 0.10122 -0.05120 -0.06735 237 28 Br 1S 0.00365 0.00573 -0.00128 -0.00281 0.00031 238 2S -0.02373 -0.03893 0.00723 0.01768 -0.00260 239 3S 0.02721 0.04815 -0.00597 -0.01935 0.00464 240 4S 0.05943 0.09127 -0.02254 -0.04527 0.00263 241 5S -0.41933 -0.96131 0.04363 0.35164 0.00065 242 6S 0.70602 1.91383 -0.02397 -0.67280 -0.12599 243 7PX 0.00295 -0.00638 -0.00261 0.00195 -0.00179 244 7PY -0.00970 -0.01093 0.00331 0.00499 -0.00126 245 7PZ -0.00255 -0.01528 -0.00339 -0.00070 0.00032 246 8PX -0.00963 0.02100 0.00858 -0.00658 0.00600 247 8PY 0.03191 0.03609 -0.01086 -0.01642 0.00442 248 8PZ 0.00857 0.05066 0.01119 0.00224 -0.00117 249 9PX 0.03566 -0.09114 -0.03520 0.03976 -0.03226 250 9PY -0.14174 -0.17442 0.04455 0.07013 -0.03465 251 9PZ -0.05116 -0.25338 -0.05000 -0.00184 0.01971 252 10PX -0.03382 0.19092 0.05240 -0.14199 0.06293 253 10PY 0.31445 0.48486 -0.06326 -0.11469 0.08673 254 10PZ 0.12700 0.75323 0.06470 -0.14182 -0.29056 255 11XX -0.00548 -0.00387 0.00112 0.00624 -0.01784 256 11YY -0.02442 -0.01489 0.00646 -0.00013 -0.02057 257 11ZZ -0.00546 -0.04543 -0.00067 0.01793 0.03240 258 11XY 0.00872 -0.00397 -0.00151 0.01908 0.00282 259 11XZ -0.01145 -0.01358 -0.00055 -0.01352 -0.00422 260 11YZ -0.00920 -0.04172 -0.00578 -0.00313 0.00141 261 12XX -0.13927 -0.39859 -0.00121 0.09933 0.09489 262 12YY -0.01044 -0.29653 -0.02981 0.14482 0.11690 263 12ZZ -0.14139 -0.09695 -0.00388 -0.00115 -0.25493 264 12XY -0.04575 0.02444 -0.00164 -0.11945 -0.01391 265 12XZ 0.06956 0.08885 0.00868 0.06313 0.02002 266 12YZ 0.07236 0.27553 0.02856 0.01497 -0.01919 267 29 C 1S -0.00566 0.00390 -0.00935 -0.00146 0.00568 268 2S -0.07238 0.28498 0.23365 -0.22250 0.22359 269 2PX 0.02710 -0.16762 -0.12970 -0.03712 -0.03103 270 2PY 0.04821 -0.16864 0.06919 -0.05661 -0.12414 271 2PZ 0.02654 0.19525 0.15135 0.02919 0.22231 272 3S 0.06761 -0.87334 -0.32420 0.64777 -1.03720 273 3PX -0.13027 0.45854 -0.08807 0.17412 0.61851 274 3PY 0.44671 0.84000 0.04174 0.25262 0.46134 275 3PZ -0.33025 -0.59198 -0.52874 -0.19599 -0.35815 276 4XX -0.05895 0.00216 -0.10738 -0.00328 0.07990 277 4YY 0.04463 0.06620 0.07395 -0.00505 -0.00689 278 4ZZ 0.00350 -0.03456 0.06659 -0.01013 -0.04981 279 4XY -0.08307 0.00638 0.05995 -0.01523 0.00526 280 4XZ 0.04704 0.01498 -0.01215 0.00393 0.03328 281 4YZ -0.03259 -0.00322 -0.03353 0.00686 0.02015 282 30 H 1S -0.06796 -0.08053 -0.56112 0.01560 0.14038 283 2S -0.19553 0.34253 0.90749 -0.14324 0.27960 284 31 H 1S 0.28699 -0.00918 0.07149 0.00183 -0.20709 285 2S -0.08343 0.78544 0.21189 0.06980 0.73794 286 32 H 1S -0.38829 0.06011 0.02065 -0.07457 0.01509 287 2S 0.28980 -0.73503 -0.20846 -0.31893 -0.47037 288 33 H 1S 0.16716 -0.14298 -0.05265 0.08048 -0.20127 289 2S -0.92223 0.20836 -0.25446 -0.55239 0.29519 290 34 H 1S 0.24898 -0.12060 -0.03301 -0.09673 0.02787 291 2S -0.54187 0.90891 -0.06559 0.09709 0.23336 292 35 H 1S -0.11127 0.08944 0.22423 -0.06595 -0.04440 293 2S 0.35294 -0.21091 -0.90469 0.19190 -0.12179 294 36 H 1S -0.25705 0.01359 0.33585 -0.06355 -0.26988 295 2S 0.07990 0.14670 -0.35104 0.02819 -0.26289 296 37 H 1S 0.16219 -0.04148 -0.22196 0.01968 0.10757 297 2S -0.38984 0.21930 0.57613 -0.02160 -0.45504 298 38 H 1S 0.17871 -0.02252 -0.12692 0.08408 0.17048 299 2S -0.46842 0.35184 0.34813 -0.00210 -0.32149 300 39 H 1S -0.21219 -0.08887 0.17080 -0.00407 -0.11553 301 2S 0.33456 0.18336 -0.41161 0.14309 0.16959 302 40 H 1S -0.00241 0.04547 0.04508 -0.09355 0.05599 303 2S 0.38163 0.45964 -0.28271 -0.00605 -0.01417 186 187 188 189 190 V V V V V Eigenvalues -- 0.90163 0.91760 0.92471 0.96661 0.97804 1 1 C 1S 0.01008 -0.00830 0.00468 -0.00109 -0.00528 2 2S 0.29723 -0.00990 0.20361 0.01188 0.08432 3 2PX -0.00079 -0.10174 -0.00884 -0.00798 0.06912 4 2PY -0.10991 0.06332 -0.00665 0.15014 0.07917 5 2PZ 0.03005 0.08881 0.10034 -0.06994 0.09048 6 3S -0.67567 -0.19281 -0.15047 0.53915 0.20736 7 3PX -0.44444 0.46208 -0.25544 0.69815 -0.66299 8 3PY -0.11378 -0.21364 -0.52457 -0.83351 -0.51368 9 3PZ -0.45988 -0.28248 -0.41836 0.28531 -0.64532 10 4XX 0.03183 -0.01307 0.03299 0.02821 -0.01693 11 4YY -0.04089 0.01906 -0.06096 -0.03082 -0.04254 12 4ZZ 0.05300 -0.02278 0.07002 0.02216 0.06818 13 4XY 0.01646 -0.01595 0.00618 -0.02085 -0.02300 14 4XZ 0.03967 0.00041 -0.01118 -0.03788 0.00653 15 4YZ 0.02674 -0.01011 0.00058 0.00713 0.01317 16 2 C 1S 0.01409 -0.00885 0.00994 -0.00359 -0.00382 17 2S 0.16421 -0.27981 0.21080 -0.09626 -0.03010 18 2PX -0.06473 0.07311 -0.14947 0.06612 0.00638 19 2PY -0.03737 -0.03576 0.01645 0.01673 -0.04967 20 2PZ 0.06431 -0.03470 0.06770 -0.04343 0.02182 21 3S -0.54944 0.87517 -0.93797 0.44453 0.19663 22 3PX 0.29461 -0.46898 0.30097 -0.23316 0.04848 23 3PY 0.34225 0.24481 0.05911 -0.16723 0.79197 24 3PZ -0.18800 0.19023 -0.13139 0.58248 -0.55602 25 4XX -0.01357 -0.02994 -0.00272 -0.04958 0.01471 26 4YY 0.05085 -0.01393 0.04546 0.02306 0.03634 27 4ZZ -0.00167 0.00834 -0.01533 0.02013 -0.05573 28 4XY -0.02124 0.02690 -0.05173 0.00045 -0.00795 29 4XZ -0.01803 0.03591 -0.00482 0.00538 0.03884 30 4YZ -0.00092 0.02431 0.00512 0.01455 0.00610 31 3 C 1S 0.00841 -0.01052 0.01455 -0.00773 0.01926 32 2S 0.32030 -0.01659 -0.00434 -0.18945 0.20010 33 2PX -0.06901 -0.07687 0.01040 0.00399 -0.10083 34 2PY 0.06437 0.08045 0.10296 0.04932 0.01153 35 2PZ -0.10870 0.07454 -0.10832 -0.08876 -0.17833 36 3S -1.43376 0.10279 -0.02201 -0.31090 -1.12381 37 3PX -0.01791 0.60382 0.05431 -0.51126 0.67257 38 3PY -0.35281 -0.15606 -0.63402 -0.15111 0.26921 39 3PZ 0.32410 -0.33814 0.36554 0.15911 0.82269 40 4XX 0.00580 -0.00490 0.05739 -0.07081 0.00559 41 4YY -0.01313 -0.01188 -0.07593 -0.04612 -0.02498 42 4ZZ 0.03766 0.00085 0.03913 0.05720 0.04680 43 4XY 0.03875 -0.00752 0.00827 0.07021 -0.01545 44 4XZ 0.02491 -0.02306 0.01842 0.00248 0.01230 45 4YZ -0.00161 -0.02070 -0.01176 0.03425 -0.07512 46 4 C 1S 0.00851 0.00257 -0.00727 -0.00622 -0.00119 47 2S -0.32427 -0.00076 0.36195 -0.34231 0.11967 48 2PX -0.02038 -0.00226 0.01648 0.37828 0.06426 49 2PY -0.15540 0.09227 0.18937 -0.06436 0.06356 50 2PZ 0.08742 -0.03698 -0.08494 -0.00194 0.01231 51 3S 0.76175 -0.06598 -1.18822 1.77532 -0.14157 52 3PX -0.36809 0.39836 0.10533 -0.92893 -0.39222 53 3PY 0.98651 -0.63850 0.11978 0.03356 -0.44221 54 3PZ -0.10737 0.21649 0.05834 0.57438 -0.24834 55 4XX -0.06597 0.00776 0.00725 -0.07638 0.00312 56 4YY 0.03267 0.00296 -0.03922 0.07080 0.03072 57 4ZZ 0.00980 -0.00122 0.05635 -0.01250 -0.01287 58 4XY 0.01569 0.01330 -0.10243 -0.02795 0.00810 59 4XZ -0.02296 0.01722 -0.02923 0.06969 -0.02668 60 4YZ 0.05024 -0.02921 0.00731 0.01107 -0.08534 61 5 C 1S -0.00252 -0.00833 0.00143 -0.00490 0.01744 62 2S 0.10615 0.07494 -0.08015 -0.04812 0.15965 63 2PX -0.03279 -0.01364 -0.03801 0.11143 -0.11774 64 2PY 0.01063 0.05963 0.08503 0.20710 0.08431 65 2PZ 0.18037 -0.11255 0.12250 -0.29869 -0.08982 66 3S -0.35391 -0.06872 -0.29987 -0.01018 -1.55289 67 3PX 0.62503 0.29156 0.26817 -0.32953 0.69006 68 3PY -0.17128 -0.27870 -0.36608 -1.12873 0.71374 69 3PZ -1.47977 0.69288 -0.90777 1.56217 -0.09077 70 4XX 0.02180 0.00531 -0.02007 -0.01664 0.04344 71 4YY -0.00671 -0.01827 -0.02853 -0.08409 -0.05405 72 4ZZ -0.01643 -0.00652 0.03872 0.09235 0.01189 73 4XY -0.01183 -0.00457 -0.02976 -0.04089 0.03563 74 4XZ 0.04397 0.00488 -0.01096 -0.04066 0.08686 75 4YZ 0.05556 -0.03111 -0.00450 -0.04502 -0.01056 76 6 C 1S -0.00028 -0.00361 0.00569 0.01859 -0.02591 77 2S -0.10594 -0.12661 0.03489 0.23122 -0.38313 78 2PX -0.12216 -0.00417 -0.17842 -0.20855 -0.08838 79 2PY -0.21425 0.02440 -0.23913 0.01338 -0.07424 80 2PZ -0.10954 -0.01917 -0.03740 0.01257 -0.20586 81 3S 0.38751 0.16195 -0.75810 -1.75464 2.24497 82 3PX 0.19068 0.06675 0.43728 0.70629 0.95673 83 3PY 1.54366 -0.29279 1.52040 -0.42523 0.83199 84 3PZ 0.52982 0.01490 0.10965 -0.19072 0.43886 85 4XX -0.01990 -0.01308 0.01550 0.03113 -0.01424 86 4YY -0.03787 -0.00052 -0.01834 0.05009 -0.04224 87 4ZZ 0.06573 0.00074 0.00779 -0.05729 0.02383 88 4XY -0.02749 0.00776 -0.02660 -0.03422 0.01650 89 4XZ -0.02888 0.01575 0.02775 0.08316 0.02842 90 4YZ 0.00532 -0.00412 0.02835 0.08669 -0.05348 91 7 C 1S 0.01483 -0.00206 0.01419 0.01781 -0.01167 92 2S 0.22174 -0.08879 0.15421 0.25988 0.01932 93 2PX -0.00001 -0.09510 0.01489 -0.12431 0.12867 94 2PY -0.08408 0.03569 -0.13142 0.00303 0.12266 95 2PZ 0.09010 -0.05488 0.06624 0.06290 -0.01401 96 3S -0.53885 0.42725 -0.58921 -0.76232 0.02029 97 3PX -0.49620 0.64073 -1.12954 0.03873 -0.94392 98 3PY 0.83670 -0.44000 1.17380 -0.02016 -1.22090 99 3PZ -0.53006 0.29187 -0.73215 -0.05672 -0.25631 100 4XX -0.00246 0.00329 -0.01163 0.00954 0.01819 101 4YY 0.02489 -0.00458 0.02641 0.00538 0.05407 102 4ZZ 0.01534 0.00154 0.01305 0.02614 -0.08690 103 4XY 0.00198 0.00324 0.02386 0.05509 0.04238 104 4XZ -0.03579 -0.00321 -0.00445 0.08247 0.11591 105 4YZ 0.01110 0.00246 -0.02104 -0.06081 0.08036 106 8 C 1S 0.00818 0.00386 -0.00613 -0.00677 -0.00006 107 2S 0.23711 0.14930 -0.01740 -0.04639 0.08226 108 2PX 0.09866 -0.05878 0.14510 -0.08287 -0.07669 109 2PY 0.09241 -0.09510 0.07061 0.00462 -0.01005 110 2PZ 0.01709 -0.02013 -0.02356 -0.03675 -0.11701 111 3S -0.30580 -0.61973 0.45462 0.11880 1.15299 112 3PX -1.01956 0.69905 -1.69903 -0.16261 0.41604 113 3PY -0.63620 0.41094 -0.61994 0.08681 1.05252 114 3PZ -0.19457 0.09666 0.10847 0.22326 0.47744 115 4XX 0.00092 -0.00617 0.01423 0.03192 0.04599 116 4YY 0.02847 0.03609 0.00398 -0.04366 0.08147 117 4ZZ 0.01426 -0.00857 -0.01631 -0.01236 -0.08935 118 4XY 0.02051 0.00950 0.00777 -0.03307 -0.04979 119 4XZ 0.03405 0.00951 -0.00843 -0.07997 -0.07321 120 4YZ 0.01415 -0.01025 0.01232 0.02278 -0.01948 121 9 C 1S 0.01147 0.00019 -0.01405 -0.01637 0.01063 122 2S 0.13475 0.23398 -0.11008 -0.28837 0.09751 123 2PX -0.04410 0.06152 -0.12038 -0.24949 -0.11035 124 2PY -0.04407 -0.00811 0.19559 0.20442 -0.05671 125 2PZ -0.21085 0.09239 -0.07792 0.09361 0.28752 126 3S 0.31802 -0.81358 0.72024 1.95773 -1.01266 127 3PX -0.17582 0.09518 0.27512 0.34090 0.64275 128 3PY -0.26115 -0.02955 -1.02453 -0.29510 0.53285 129 3PZ 1.19166 -0.50236 0.77208 -0.86192 -1.51809 130 4XX 0.00385 0.04325 -0.02804 -0.06432 0.00981 131 4YY 0.00063 -0.00776 -0.00398 0.03198 -0.00225 132 4ZZ 0.04404 -0.01974 0.00661 0.01528 -0.00068 133 4XY 0.00691 -0.01289 0.00572 -0.01440 0.06570 134 4XZ -0.02010 -0.02028 -0.01464 0.07263 0.01774 135 4YZ -0.01398 -0.00489 -0.03995 -0.03310 0.04498 136 10 C 1S 0.00348 0.00593 -0.01055 0.01037 0.00399 137 2S -0.04496 -0.02391 -0.14404 0.01832 -0.10714 138 2PX -0.03175 -0.01848 -0.13880 0.08255 0.04979 139 2PY 0.04112 -0.02630 0.01051 -0.26337 0.15884 140 2PZ 0.25960 -0.12996 0.05773 0.28970 0.06516 141 3S 0.35556 -0.03404 0.75799 -0.32307 -0.27552 142 3PX 0.79678 0.18971 0.89321 -0.49716 -0.87900 143 3PY -0.42294 0.11288 -0.03566 1.35159 -0.45587 144 3PZ -0.43349 0.27919 0.11164 -1.67448 0.19576 145 4XX -0.02969 -0.01829 0.01391 0.00220 -0.06747 146 4YY 0.02021 0.02263 -0.03902 -0.01127 0.07021 147 4ZZ 0.01766 0.00811 -0.00191 0.01670 -0.01296 148 4XY -0.01046 0.02020 -0.01394 -0.06000 0.00934 149 4XZ -0.00162 -0.00278 0.05044 0.03733 -0.01891 150 4YZ -0.00555 0.01837 0.00537 -0.02831 0.07959 151 11 C 1S -0.00533 -0.00386 0.00412 0.00488 -0.00047 152 2S 0.56355 0.45832 -0.33541 0.14468 -0.14139 153 2PX -0.04442 0.15698 -0.02178 0.28304 -0.03008 154 2PY 0.28312 0.09184 -0.10674 -0.01823 -0.03869 155 2PZ -0.13632 0.09760 0.15882 -0.17729 0.10306 156 3S -1.46939 -1.24425 0.64676 -1.52620 0.66965 157 3PX 0.24854 -0.45528 0.26700 -0.58723 -0.33376 158 3PY -0.43589 -0.04443 0.27455 0.27923 -0.29249 159 3PZ 0.28902 -0.34502 -0.40614 1.17042 -0.58682 160 4XX 0.06694 0.04956 -0.04173 0.04854 -0.00224 161 4YY 0.01834 0.02553 -0.02676 -0.01821 -0.06110 162 4ZZ -0.02184 -0.03406 0.02563 -0.03330 0.06151 163 4XY 0.00425 -0.02454 -0.04931 -0.06860 0.05743 164 4XZ -0.04312 -0.05161 0.04261 0.02928 -0.02179 165 4YZ 0.07683 -0.03823 -0.05442 -0.01583 0.04900 166 12 H 1S -0.42760 -0.11678 0.45986 -0.00234 -0.14037 167 2S 1.35560 0.02941 -1.06229 0.48194 -0.12902 168 13 H 1S -0.09843 -0.40120 0.03421 -0.23269 0.28126 169 2S 0.29926 1.21468 -0.01482 -0.06592 -0.05940 170 14 C 1S 0.00875 0.01046 -0.01433 -0.00218 0.00357 171 2S 0.11286 0.07073 0.06986 -0.10783 -0.07736 172 2PX -0.02526 0.00387 -0.01118 -0.00357 0.06324 173 2PY 0.08734 0.02052 -0.04249 -0.14735 0.01529 174 2PZ -0.11032 0.11297 -0.00558 -0.01709 -0.04714 175 3S 0.05722 0.22308 -0.29469 0.83820 -0.21800 176 3PX 0.33946 -0.20137 0.22545 -0.60684 -0.00757 177 3PY -0.35297 -0.11373 0.11473 0.83899 0.13234 178 3PZ 0.26486 -0.10947 -0.21233 -0.13923 0.58658 179 4XX 0.04821 0.02823 -0.01651 -0.01061 0.00439 180 4YY -0.01778 0.01696 -0.03631 -0.01371 0.05011 181 4ZZ 0.00729 -0.01290 0.03758 0.03048 -0.07116 182 4XY -0.01606 -0.01502 0.00122 -0.03712 -0.00348 183 4XZ -0.00476 -0.04315 -0.01049 -0.06658 0.07525 184 4YZ 0.00788 -0.01251 -0.03652 0.01306 0.05755 185 15 H 1S 0.01340 0.12139 -0.19042 -0.06523 0.00218 186 2S 0.14394 -0.02010 -0.01754 -0.22021 0.12673 187 16 H 1S -0.01213 -0.01402 -0.18640 -0.04893 0.19948 188 2S 0.10286 -0.06269 0.14922 0.04538 0.16300 189 17 C 1S 0.00989 0.00677 -0.00165 -0.01235 -0.00236 190 2S 0.31708 0.01619 -0.21258 -0.20812 -0.15380 191 2PX 0.10404 -0.16613 -0.15790 -0.03269 0.02564 192 2PY 0.00611 -0.01090 0.09116 0.03875 -0.05459 193 2PZ -0.09537 -0.00807 0.04093 0.04421 0.01733 194 3S -0.55981 0.02061 0.96406 0.66132 0.35320 195 3PX -0.47457 0.33097 0.08751 0.28397 -0.00171 196 3PY -0.27824 0.25032 -0.24527 0.03865 -0.38160 197 3PZ 0.62337 0.10525 0.12047 -0.40402 -0.30787 198 4XX 0.04214 0.01942 0.02199 -0.01592 -0.06347 199 4YY 0.03690 -0.02786 0.00410 -0.00269 -0.01759 200 4ZZ -0.01477 0.01118 -0.04063 -0.01597 0.06572 201 4XY 0.01201 0.00102 -0.00820 0.01547 0.04302 202 4XZ -0.04180 0.01135 0.00108 0.03744 -0.00331 203 4YZ -0.01954 0.01005 -0.01603 0.01336 0.01396 204 18 C 1S 0.00241 0.01120 -0.00852 -0.00912 -0.00063 205 2S 0.48819 0.12122 -0.09368 -0.16110 0.07300 206 2PX 0.10953 -0.02182 0.07272 0.02671 0.08869 207 2PY -0.01707 -0.00369 0.15452 -0.04494 -0.13782 208 2PZ -0.04288 0.05464 -0.04120 0.08706 0.05743 209 3S -1.06609 -0.10845 -0.22523 -0.33009 -0.71390 210 3PX -0.57388 0.25078 -0.24478 0.27320 -0.18576 211 3PY -0.22743 0.10805 -0.60342 0.18249 0.01590 212 3PZ -0.03008 -0.18454 -0.16891 -0.30451 0.42765 213 4XX 0.03610 0.00818 -0.02539 -0.03357 -0.00313 214 4YY 0.06720 0.02370 0.00141 -0.07670 0.01660 215 4ZZ -0.03044 -0.00056 -0.01691 0.05276 -0.01507 216 4XY -0.00865 -0.02029 -0.00191 0.04746 0.02406 217 4XZ -0.02393 -0.00459 0.00439 0.02700 0.03322 218 4YZ -0.02122 -0.00691 -0.02725 -0.02861 0.03349 219 19 H 1S -0.21128 0.03157 -0.14109 0.01430 0.07004 220 2S 0.34410 0.02528 -0.19753 -0.08372 0.15924 221 20 H 1S -0.16172 0.07556 -0.03215 0.07430 -0.15619 222 2S 0.41660 0.01514 -0.11212 0.08725 0.19233 223 21 H 1S -0.10367 0.10971 -0.04349 0.00653 0.21012 224 2S 0.18063 -0.33378 -0.04971 -0.08668 -0.10607 225 22 H 1S 0.10685 0.14740 0.12970 -0.14519 -0.17543 226 2S 0.35970 -0.17479 -0.42405 -0.20318 -0.01129 227 23 H 1S 0.13652 0.09529 0.00707 -0.03024 0.28521 228 2S -0.54078 0.01113 -0.09811 -0.34306 -0.67105 229 24 H 1S 0.12256 -0.13550 -0.12451 0.07514 0.18326 230 2S -0.56067 0.64799 0.06160 0.04734 0.38529 231 25 H 1S 0.05498 -0.02438 -0.00814 0.01915 0.22313 232 2S -0.22647 0.25461 -0.15388 0.05473 0.10389 233 26 H 1S 0.06036 -0.04860 -0.05517 -0.02807 -0.17975 234 2S 0.23521 0.04842 0.05859 -0.05242 -0.00774 235 27 H 1S 0.13133 -0.00824 0.13046 0.01636 -0.31348 236 2S 0.30573 -0.10005 0.21136 0.13640 -0.26830 237 28 Br 1S 0.00106 0.00092 -0.00263 0.00336 -0.00243 238 2S -0.00854 -0.00536 0.01591 -0.01993 0.01385 239 3S 0.01345 0.00480 -0.01571 0.01809 -0.01161 240 4S 0.01449 0.01612 -0.04494 0.06107 -0.04326 241 5S -0.46431 -0.01747 -0.03082 -0.27612 0.29833 242 6S 1.04445 0.00785 0.24569 0.39969 -0.59058 243 7PX -0.00483 -0.00167 -0.00627 -0.00795 -0.01284 244 7PY -0.00218 -0.00192 0.00989 -0.00454 0.00488 245 7PZ 0.00346 0.00132 0.00194 0.00178 0.00381 246 8PX 0.01578 0.00557 0.02055 0.02617 0.04244 247 8PY 0.00737 0.00626 -0.03244 0.01488 -0.01576 248 8PZ -0.01095 -0.00446 -0.00616 -0.00587 -0.01296 249 9PX -0.06090 -0.02549 -0.08223 -0.10943 -0.18591 250 9PY -0.05116 -0.02273 0.12266 -0.06529 0.04814 251 9PZ 0.01078 0.02584 0.00411 0.01549 0.08890 252 10PX 0.07255 0.03684 0.10614 0.16942 0.26742 253 10PY 0.28704 0.03514 -0.06313 0.12986 0.05025 254 10PZ 0.20625 -0.01722 0.08260 0.07367 -0.46577 255 11XX 0.00826 -0.00550 0.00964 -0.01216 -0.03232 256 11YY -0.01123 -0.00064 0.01037 -0.00872 -0.00922 257 11ZZ -0.01584 0.00039 -0.00067 -0.00207 0.05503 258 11XY 0.00625 -0.00955 0.00518 -0.00353 -0.01172 259 11XZ 0.00806 -0.00238 -0.00357 -0.01201 -0.01999 260 11YZ -0.01006 0.00144 0.00268 0.00625 -0.01308 261 12XX -0.26362 0.02838 -0.08602 -0.00861 0.27120 262 12YY -0.10802 0.00208 -0.05052 -0.02033 0.16135 263 12ZZ -0.09328 0.01128 -0.01994 -0.02793 -0.29803 264 12XY -0.04056 0.05478 -0.04200 0.01322 0.06413 265 12XZ -0.04356 0.00583 0.02087 0.06385 0.09127 266 12YZ 0.09542 -0.00384 0.00765 -0.01877 0.08666 267 29 C 1S -0.00523 0.02072 -0.00512 -0.00237 0.00858 268 2S -0.27432 -0.88513 -0.54099 0.06473 0.00547 269 2PX -0.05948 0.03185 -0.03416 0.01574 -0.05586 270 2PY -0.08159 -0.38862 -0.00044 0.17435 0.04043 271 2PZ -0.05527 -0.26956 -0.21405 -0.06307 -0.06303 272 3S 1.34437 2.30332 1.87963 -0.47151 -0.05975 273 3PX 0.32251 -0.29748 0.23708 0.19234 0.10722 274 3PY -0.00996 1.18932 -0.00025 0.13714 0.10284 275 3PZ -0.19827 0.53778 0.18374 -0.03555 0.03278 276 4XX 0.01280 -0.03522 -0.00780 -0.00858 -0.03859 277 4YY -0.02341 0.01252 -0.00482 0.08031 0.06638 278 4ZZ -0.00692 -0.06555 -0.04419 -0.08043 -0.00739 279 4XY -0.04531 0.01730 -0.03546 -0.01284 -0.05041 280 4XZ 0.01163 -0.02153 0.01760 0.06823 -0.01303 281 4YZ 0.05604 -0.06902 0.02446 0.01046 -0.00934 282 30 H 1S 0.23062 0.30831 0.22497 -0.03920 0.07741 283 2S -0.36321 -1.39024 -0.56766 0.23710 -0.10777 284 31 H 1S -0.07110 0.43003 0.11119 0.05796 0.15389 285 2S -0.11455 -0.68460 -0.61714 0.06150 -0.17974 286 32 H 1S -0.18691 0.54684 -0.09645 -0.08044 -0.15892 287 2S -0.17629 -1.51992 -0.34916 -0.06396 0.13961 288 33 H 1S 0.32061 -0.09232 -0.06403 0.18615 -0.17994 289 2S -0.27778 0.04179 0.25131 -0.18228 0.11811 290 34 H 1S 0.17434 0.04414 -0.57481 0.18972 0.05438 291 2S -0.91623 0.19105 0.98977 -0.11189 0.17608 292 35 H 1S 0.02645 -0.15483 0.07266 0.11475 -0.08967 293 2S 0.31191 0.49762 0.20629 -0.25458 -0.06266 294 36 H 1S 0.03957 -0.02168 0.23061 -0.02501 0.28880 295 2S 0.44288 0.01009 0.17703 0.08738 0.34675 296 37 H 1S 0.12798 0.03848 0.03501 0.12174 -0.04116 297 2S 0.06748 -0.17776 0.11209 -0.03739 0.04907 298 38 H 1S 0.09091 -0.12301 0.04185 -0.11174 -0.01610 299 2S 0.18511 -0.33484 0.33857 -0.12287 -0.06273 300 39 H 1S 0.11896 -0.14451 0.04231 0.03779 0.05478 301 2S 0.24858 0.53080 0.40852 0.06047 0.33047 302 40 H 1S -0.06489 -0.03941 -0.17344 -0.13312 -0.21065 303 2S 0.16752 0.13821 -0.04685 -0.20687 -0.10782 191 192 193 194 195 V V V V V Eigenvalues -- 1.00885 1.03147 1.04177 1.07436 1.09115 1 1 C 1S 0.00968 -0.00970 0.00419 0.00651 -0.00465 2 2S 0.08328 -0.24478 0.08809 0.23658 -0.12033 3 2PX -0.06342 -0.06559 0.05814 0.04053 0.15582 4 2PY -0.07458 0.14995 -0.00388 -0.03082 0.26100 5 2PZ 0.06077 -0.01138 -0.03314 -0.01500 -0.09785 6 3S -0.92185 -0.10484 -0.06295 -0.60720 1.43466 7 3PX 0.50224 0.10639 -0.30606 -0.53882 0.29655 8 3PY 0.11817 -1.48056 0.23886 0.62176 -0.40702 9 3PZ 0.18358 0.07727 -0.26495 -0.19224 -0.14178 10 4XX 0.00329 -0.05604 0.04106 0.02835 0.02685 11 4YY 0.01588 -0.05313 -0.00191 0.03235 0.02447 12 4ZZ -0.01106 0.07121 -0.02806 -0.03231 -0.05843 13 4XY 0.02631 -0.01616 0.00700 0.01480 -0.10363 14 4XZ 0.03777 0.06419 0.04867 0.02619 0.05938 15 4YZ 0.02540 0.07318 0.00184 -0.02961 0.05907 16 2 C 1S 0.00192 -0.02010 0.02057 0.03404 0.00019 17 2S -0.08122 -0.33686 0.24960 0.44185 0.04978 18 2PX -0.01855 0.16769 0.01603 -0.08238 0.11138 19 2PY -0.00087 -0.14949 0.03500 0.10797 0.01896 20 2PZ -0.02829 -0.07992 0.03527 0.06806 -0.05919 21 3S -0.07446 1.65999 -0.89283 -1.71276 0.02799 22 3PX -0.01936 -0.53701 0.11706 0.29498 -0.06021 23 3PY -0.38040 1.21194 -0.08607 -0.60666 0.20306 24 3PZ 0.89485 0.98938 -0.21153 -0.50526 0.05253 25 4XX -0.09114 -0.17664 0.00335 0.07268 -0.05412 26 4YY 0.02815 0.10965 0.00190 -0.01446 -0.02148 27 4ZZ 0.05179 0.02951 0.02958 0.00875 0.07553 28 4XY -0.03432 -0.01240 -0.00592 -0.02246 0.00723 29 4XZ -0.07350 0.02531 -0.04651 -0.04067 -0.05849 30 4YZ -0.00844 0.03285 -0.02285 -0.02468 -0.02406 31 3 C 1S -0.01375 0.00233 0.00196 0.01147 -0.00725 32 2S -0.26066 -0.19530 0.19251 0.16730 -0.03174 33 2PX 0.11645 -0.02707 0.04794 -0.00602 0.03515 34 2PY -0.06519 -0.05761 0.00508 0.05788 0.04036 35 2PZ 0.16955 0.07395 0.00549 -0.03172 0.01802 36 3S 1.23627 0.54269 -0.38906 -0.70182 0.42224 37 3PX -0.45177 1.18170 -0.28949 -0.89874 0.31560 38 3PY -0.48633 0.15826 -0.17539 -0.37031 0.24883 39 3PZ -1.09049 -0.86405 0.01251 0.55671 -0.04264 40 4XX 0.03618 0.01773 0.02729 0.02320 0.00221 41 4YY -0.05578 -0.09080 0.03193 0.00897 0.05167 42 4ZZ -0.01464 0.05725 -0.03521 -0.01417 -0.05484 43 4XY 0.07698 0.03216 0.00921 0.01849 -0.04068 44 4XZ -0.00040 -0.07352 0.04894 0.06232 0.04149 45 4YZ 0.12212 0.06138 -0.00192 -0.01336 0.00777 46 4 C 1S -0.01515 0.01532 0.01015 -0.00743 -0.00064 47 2S -0.25877 0.12761 0.23185 -0.12494 -0.01567 48 2PX -0.14417 -0.01248 0.08458 0.05380 0.04089 49 2PY -0.07063 0.21806 -0.00037 -0.06317 0.25829 50 2PZ -0.07539 0.02480 -0.03849 0.07843 -0.07820 51 3S 0.87884 -1.38821 -0.98625 0.68617 -0.98823 52 3PX 1.26706 0.61787 -0.43250 -0.86285 0.06594 53 3PY 0.69372 -0.90032 0.58538 0.73376 -0.91213 54 3PZ 0.82169 0.01230 -0.14495 -0.18547 -0.56887 55 4XX -0.05132 0.02998 -0.01817 -0.02020 0.01609 56 4YY -0.02788 0.05451 0.01336 0.04455 -0.03424 57 4ZZ 0.04490 -0.07401 0.02329 -0.03160 0.00348 58 4XY -0.07996 0.00898 0.01585 -0.07084 0.06749 59 4XZ -0.00170 0.00778 -0.07222 -0.03622 -0.08274 60 4YZ 0.05059 0.02289 0.02524 0.04557 -0.02587 61 5 C 1S 0.00767 0.01025 -0.01350 -0.00574 -0.00316 62 2S -0.14983 0.08281 0.00512 -0.08617 -0.20194 63 2PX 0.14400 0.13483 0.29270 -0.04071 0.18867 64 2PY 0.30166 -0.23606 0.01326 -0.01856 -0.08952 65 2PZ -0.01470 0.09171 0.19778 0.13723 -0.00542 66 3S -0.38488 -0.91924 2.11107 0.78901 -0.05142 67 3PX -0.36491 0.07143 -0.77276 -0.24902 -2.34444 68 3PY -1.72702 0.66766 -0.53956 -0.67803 0.53663 69 3PZ -0.04003 -0.24193 -1.10391 -0.60819 -0.09898 70 4XX 0.01067 0.09080 0.05187 -0.01060 0.01849 71 4YY -0.01700 -0.10086 0.03378 -0.05264 0.02640 72 4ZZ -0.01043 0.02404 -0.04149 0.04417 -0.08248 73 4XY -0.04450 0.02720 -0.04327 0.09854 0.00907 74 4XZ 0.02392 -0.05969 -0.02853 -0.01756 0.00288 75 4YZ 0.03106 0.01504 0.08127 -0.02132 0.03821 76 6 C 1S -0.00343 0.00825 0.00800 0.01806 -0.00613 77 2S -0.06097 0.11834 0.18067 0.39984 -0.13490 78 2PX 0.14072 0.22963 0.02127 0.15049 -0.22624 79 2PY -0.03140 -0.30343 0.02425 0.01321 0.27901 80 2PZ 0.24013 0.01139 -0.02253 -0.06218 0.01961 81 3S -0.24203 -0.47975 -1.03006 -0.76437 0.12825 82 3PX -0.50436 -0.67628 -0.43904 -0.93358 1.47541 83 3PY -0.39268 1.76307 -0.37249 -0.24208 -2.50085 84 3PZ -0.54903 -0.16291 0.61544 0.54648 0.46421 85 4XX -0.06387 -0.06340 -0.00033 0.00777 0.04531 86 4YY 0.03366 0.10572 -0.03881 0.09238 -0.05810 87 4ZZ 0.02495 -0.02969 0.04295 -0.06348 0.00418 88 4XY -0.07837 0.00063 -0.04892 0.03329 0.01809 89 4XZ -0.00800 0.03699 -0.06869 -0.06407 -0.06966 90 4YZ -0.00000 0.01333 -0.00788 0.02182 0.04118 91 7 C 1S 0.01398 0.01134 -0.00411 -0.00542 0.01680 92 2S 0.39824 0.04723 -0.14221 -0.11107 0.24253 93 2PX 0.15603 -0.19706 -0.02464 0.16133 -0.20906 94 2PY 0.12378 -0.03610 -0.08960 0.02360 -0.14520 95 2PZ -0.19486 0.07055 0.09590 -0.02289 0.08259 96 3S -0.24927 0.90227 -0.05278 0.30793 -2.28526 97 3PX -0.40552 0.82549 0.15302 -0.47780 1.16324 98 3PY -0.68181 0.80749 0.37601 -0.09861 -0.50494 99 3PZ 0.81267 -0.62080 -0.38312 -0.16361 0.02146 100 4XX 0.02651 -0.04729 -0.03751 0.01091 0.03860 101 4YY 0.01227 0.05252 0.02639 -0.02525 -0.05905 102 4ZZ 0.01056 0.03302 -0.00010 0.00171 0.04591 103 4XY -0.03629 0.01151 0.00740 0.01043 0.10688 104 4XZ 0.08925 -0.01840 -0.06255 0.07862 -0.01520 105 4YZ -0.02957 -0.09097 0.01898 -0.03171 -0.03739 106 8 C 1S 0.01754 -0.00586 -0.00493 -0.02499 0.01240 107 2S 0.25883 -0.09141 -0.17526 -0.47881 0.12553 108 2PX -0.08146 0.14772 0.10882 -0.00383 -0.10665 109 2PY 0.02672 -0.14061 -0.11323 -0.13671 -0.03702 110 2PZ -0.07178 0.00208 0.06879 0.05419 0.01204 111 3S -0.42657 -0.39259 0.29391 0.33544 -1.17364 112 3PX 0.23257 -0.07876 -0.14506 -0.11008 -0.13473 113 3PY 0.42359 0.04872 -0.19367 0.00923 0.05140 114 3PZ -0.17468 0.50380 -0.06759 0.46688 0.32920 115 4XX 0.07495 -0.06969 -0.04277 0.00035 0.00608 116 4YY -0.05050 0.05849 0.03884 -0.07900 -0.00776 117 4ZZ 0.01682 -0.00739 -0.00417 -0.00897 0.01673 118 4XY -0.02436 -0.02580 0.02217 -0.11327 -0.05787 119 4XZ -0.07658 -0.00606 0.01083 -0.04583 -0.02615 120 4YZ 0.01805 -0.02112 0.00223 0.04428 0.00244 121 9 C 1S 0.00106 -0.00457 0.01092 -0.02832 -0.00918 122 2S -0.10686 -0.14008 0.00848 -0.57973 -0.03526 123 2PX -0.00765 0.07642 0.13305 0.33142 -0.07199 124 2PY 0.03180 -0.06377 -0.22057 0.17876 0.11765 125 2PZ 0.04366 0.02013 0.02437 0.07001 0.05251 126 3S -0.61566 0.25846 -1.00555 1.94322 0.19465 127 3PX 0.14236 -0.34841 -1.45055 -1.55844 0.42463 128 3PY -0.24706 0.15098 0.94319 -0.53456 -1.76735 129 3PZ 0.09906 -0.25046 0.15158 -1.07755 -0.03299 130 4XX -0.04321 0.03269 -0.03319 -0.08235 -0.10368 131 4YY 0.04353 -0.07188 0.04199 -0.00465 0.06089 132 4ZZ -0.03195 0.02184 -0.01186 0.02048 0.02649 133 4XY 0.01272 0.04312 0.00894 -0.05720 -0.00364 134 4XZ -0.01788 0.01449 -0.07196 0.05401 -0.03412 135 4YZ 0.08166 0.03583 -0.00535 0.10597 0.07070 136 10 C 1S -0.00277 0.00564 0.00924 -0.01270 -0.04640 137 2S -0.11758 -0.02714 0.01794 -0.22013 -0.64878 138 2PX -0.03176 -0.04030 -0.28621 0.17950 -0.24402 139 2PY 0.31709 0.08024 -0.04372 -0.12123 -0.22813 140 2PZ -0.11259 -0.02300 0.08047 0.06569 -0.08231 141 3S 0.17704 0.13250 -1.21658 -0.05881 3.70436 142 3PX 0.52187 -0.08317 1.31057 -0.22640 0.74598 143 3PY -0.78952 -0.12993 -0.15451 1.46200 1.56160 144 3PZ 0.63929 0.04263 -0.35872 -0.90325 1.28693 145 4XX 0.01857 0.01530 0.07214 -0.06364 -0.03292 146 4YY -0.04118 0.07002 -0.08219 0.04316 -0.04544 147 4ZZ 0.01294 -0.07773 -0.00145 -0.03085 0.03028 148 4XY 0.02536 -0.02713 -0.05164 0.00828 -0.03129 149 4XZ -0.03480 -0.01453 -0.01231 0.04381 0.02572 150 4YZ 0.05041 0.05334 0.05831 0.04858 0.11699 151 11 C 1S 0.01159 0.00433 -0.00447 0.01134 -0.00833 152 2S 0.28986 0.16726 -0.20024 0.22790 -0.19391 153 2PX 0.09315 -0.21181 0.16005 -0.01493 0.02917 154 2PY 0.05348 0.09703 0.11736 0.04757 -0.01752 155 2PZ 0.03565 -0.01684 -0.16549 -0.11425 0.03260 156 3S -0.64643 -0.29718 -0.82554 -1.26185 -0.22017 157 3PX -0.96953 0.62141 -1.41994 0.90865 0.77299 158 3PY -0.00672 -0.28507 0.06488 0.25697 0.60696 159 3PZ -0.32811 0.06066 0.63382 0.59020 -1.08562 160 4XX -0.01814 -0.02044 -0.04542 -0.01249 -0.11140 161 4YY 0.07357 -0.00315 -0.01646 0.02700 -0.02430 162 4ZZ -0.01026 0.04950 0.01247 0.01384 0.08319 163 4XY 0.01238 0.00379 -0.03893 -0.06248 -0.05492 164 4XZ -0.02856 -0.02194 0.00574 -0.01430 -0.03978 165 4YZ 0.03287 -0.04095 0.02476 -0.05421 0.07037 166 12 H 1S -0.12872 0.08359 -0.15330 0.11222 -0.06904 167 2S -0.10207 0.20078 0.14509 0.43219 -0.43730 168 13 H 1S 0.08271 -0.00354 -0.03575 -0.16082 0.14110 169 2S 0.41609 0.09234 -0.04907 0.01290 -0.13954 170 14 C 1S -0.00556 0.00938 -0.02067 0.02628 0.00310 171 2S -0.01511 0.13094 -0.52743 0.28361 0.06348 172 2PX -0.04597 0.07120 -0.07776 0.20064 -0.03478 173 2PY -0.02609 0.08620 -0.10065 0.19150 0.05575 174 2PZ 0.00833 -0.00874 -0.03559 -0.03842 -0.00922 175 3S 0.38205 -0.85408 1.70751 -1.58275 -0.25858 176 3PX 0.00637 -0.36738 -0.24635 -1.21866 0.66586 177 3PY 0.53705 -0.23760 1.41579 -0.63601 -0.75018 178 3PZ 0.22823 -0.01230 0.42859 -0.53465 0.16439 179 4XX 0.04764 0.01081 0.00535 0.05723 0.08178 180 4YY -0.04928 0.05425 -0.04207 0.04247 -0.06162 181 4ZZ 0.00885 -0.05525 -0.03053 -0.05415 -0.00726 182 4XY -0.01454 0.01700 -0.04767 0.05787 0.02672 183 4XZ 0.03085 0.02141 0.07463 -0.05680 0.03602 184 4YZ 0.02493 -0.00886 0.10404 -0.05134 -0.02771 185 15 H 1S -0.15675 0.14386 -0.27964 0.31406 0.01418 186 2S -0.07106 0.23543 -0.39615 0.51915 0.05018 187 16 H 1S 0.08534 0.00430 0.21450 -0.14998 -0.01285 188 2S 0.11793 0.06138 -0.06165 -0.03722 0.06954 189 17 C 1S 0.00594 -0.00271 -0.02589 -0.00123 0.03467 190 2S -0.04083 -0.00725 -0.54536 -0.06419 0.41481 191 2PX 0.05326 -0.05989 -0.09611 0.07168 0.08582 192 2PY -0.08089 0.01297 0.11340 -0.09034 -0.08958 193 2PZ -0.02552 0.04892 0.09285 -0.01221 -0.11624 194 3S -0.35274 0.34148 1.62201 -0.22098 -1.78794 195 3PX -0.27142 0.13944 -0.03337 0.05642 -0.41994 196 3PY 0.24950 -0.02006 -1.04189 1.46871 0.46470 197 3PZ -0.17906 -0.49380 -0.87399 -0.74212 0.68038 198 4XX -0.09025 -0.00844 -0.20653 -0.02260 0.00853 199 4YY 0.04850 -0.03317 0.05645 -0.05322 0.05233 200 4ZZ 0.03130 0.04690 0.06144 0.06047 0.00044 201 4XY -0.02909 0.03093 0.05027 -0.02222 -0.05078 202 4XZ -0.04329 0.00546 -0.01294 -0.04556 -0.09027 203 4YZ 0.01771 -0.01520 0.02648 -0.01283 -0.01796 204 18 C 1S -0.01144 -0.00339 -0.00785 -0.02657 0.00781 205 2S -0.22011 -0.01696 -0.26155 -0.36751 0.16502 206 2PX -0.06802 -0.01396 -0.01855 -0.14057 -0.00805 207 2PY -0.12008 0.06655 0.02168 -0.00343 0.04302 208 2PZ 0.04643 -0.15871 -0.10116 -0.12607 0.06272 209 3S 0.46074 0.29382 0.97650 1.61418 -0.75524 210 3PX 0.37122 0.08798 -0.94033 1.37675 0.82377 211 3PY 0.32048 -0.21244 0.05316 0.46265 0.06955 212 3PZ 0.00569 0.82553 1.38533 0.71727 -0.58239 213 4XX 0.02922 -0.02263 0.05728 0.04598 0.07389 214 4YY -0.05956 0.04091 -0.08670 -0.05334 -0.01428 215 4ZZ -0.00786 -0.02005 0.00547 -0.04702 -0.04057 216 4XY 0.01404 0.01643 0.02630 0.06562 0.03018 217 4XZ 0.03676 -0.01136 -0.00321 0.03347 0.06889 218 4YZ 0.04366 0.05276 0.07156 0.09808 -0.02783 219 19 H 1S 0.05610 0.09151 0.18516 0.12437 0.02872 220 2S -0.05651 0.12786 0.11043 0.14626 0.02639 221 20 H 1S -0.11953 -0.16853 -0.19733 -0.26987 0.03321 222 2S 0.04099 -0.29206 -0.22516 -0.37344 0.09365 223 21 H 1S 0.12739 0.06687 0.26371 -0.02916 0.02073 224 2S -0.03588 0.07562 0.01558 -0.08282 0.07995 225 22 H 1S 0.09984 -0.10468 -0.21874 0.06412 0.33451 226 2S 0.15033 -0.11260 -0.40497 0.13625 0.43467 227 23 H 1S 0.08342 0.04880 0.03598 0.06754 0.22861 228 2S -0.14221 -0.12063 0.04326 -0.28188 0.13907 229 24 H 1S 0.11567 0.09422 -0.04201 0.17230 0.18406 230 2S -0.20479 -0.16331 0.08009 0.19664 0.17768 231 25 H 1S 0.13194 0.01102 -0.09544 -0.05495 0.10697 232 2S 0.24640 0.10542 -0.14731 0.02923 0.15237 233 26 H 1S 0.14005 -0.16804 -0.03337 -0.17969 0.00970 234 2S 0.08080 -0.08112 0.03064 -0.21456 -0.03821 235 27 H 1S -0.17686 0.26626 0.03938 -0.09809 0.14099 236 2S -0.38087 0.36925 0.23990 -0.15599 0.45085 237 28 Br 1S -0.00143 -0.00089 0.00086 -0.00116 -0.00032 238 2S 0.01118 0.00569 -0.00529 0.00554 -0.00145 239 3S -0.01777 -0.00649 0.00578 -0.00192 0.00905 240 4S -0.01704 -0.01451 0.01314 -0.02300 -0.00971 241 5S 0.31216 -0.13610 -0.13891 -0.06484 -0.05635 242 6S -0.55327 0.40253 0.22980 0.18927 0.16046 243 7PX 0.00402 -0.00326 -0.00059 -0.00013 -0.00696 244 7PY 0.00535 0.00659 -0.00189 0.00142 -0.00380 245 7PZ 0.00942 0.00497 -0.00237 0.00049 -0.00088 246 8PX -0.01305 0.01071 0.00184 0.00067 0.02290 247 8PY -0.01806 -0.02166 0.00641 -0.00436 0.01239 248 8PZ -0.03140 -0.01611 0.00802 -0.00167 0.00282 249 9PX 0.03660 -0.04175 -0.00116 -0.01954 -0.09259 250 9PY 0.10065 0.07863 -0.03999 -0.00658 -0.03673 251 9PZ 0.14582 0.04210 -0.04389 0.01139 -0.00911 252 10PX 0.11506 -0.01268 -0.04484 0.10049 0.10698 253 10PY -0.23442 0.03369 0.11930 0.13730 -0.12205 254 10PZ -0.14081 0.11461 0.04969 -0.12153 0.04526 255 11XX -0.01949 0.02039 0.00976 -0.00620 -0.01197 256 11YY 0.03172 -0.00098 -0.01183 -0.01658 0.01064 257 11ZZ 0.01097 -0.01126 -0.00456 0.02376 -0.01371 258 11XY 0.00034 -0.00400 0.00179 -0.00872 -0.00377 259 11XZ -0.01637 0.00356 0.01073 -0.00527 0.00206 260 11YZ 0.01545 0.00646 -0.00883 -0.00505 0.02043 261 12XX 0.28180 -0.19162 -0.11245 -0.01889 -0.01901 262 12YY -0.04060 -0.01497 0.03332 0.06059 -0.18052 263 12ZZ 0.13430 0.04488 -0.04181 -0.23064 0.02924 264 12XY 0.02294 0.02127 -0.01227 0.06228 0.01035 265 12XZ 0.13310 -0.04819 -0.06697 0.03830 -0.01927 266 12YZ -0.07505 0.00689 0.04826 0.04326 -0.15560 267 29 C 1S -0.03187 0.00030 0.01059 -0.01815 -0.02535 268 2S -0.52400 0.11786 0.09683 -0.30195 -0.34659 269 2PX -0.01018 -0.01570 0.22547 0.03208 0.15153 270 2PY 0.07406 0.00716 -0.20186 -0.06316 0.00168 271 2PZ -0.03978 0.06748 -0.12105 -0.07633 0.10876 272 3S 1.81242 -0.42779 0.46694 1.28870 0.70393 273 3PX 0.08439 0.24042 -0.38266 -0.25176 -0.15929 274 3PY -0.28053 -0.06950 0.18646 0.06688 -0.20498 275 3PZ -0.28064 -0.22530 0.12273 -0.00913 -0.13261 276 4XX -0.02101 0.01832 0.02570 -0.03234 0.03918 277 4YY 0.00266 -0.00045 -0.05660 -0.01710 -0.10033 278 4ZZ -0.05429 -0.00512 0.04943 0.00871 0.00317 279 4XY 0.01952 0.00649 0.03853 -0.00945 0.02649 280 4XZ 0.01398 0.03268 0.03625 -0.02060 0.02297 281 4YZ 0.03425 -0.00447 0.02365 0.01234 -0.00443 282 30 H 1S -0.12721 -0.08436 0.17317 -0.03416 -0.12206 283 2S -0.01803 0.48042 -0.49927 -0.48183 -0.11754 284 31 H 1S -0.22149 0.04242 0.09126 0.03602 -0.17855 285 2S -0.08027 0.07848 -0.09106 -0.22088 0.06891 286 32 H 1S 0.01238 -0.11385 0.16062 -0.02161 -0.07920 287 2S -0.38914 0.06656 -0.11075 -0.12127 0.12955 288 33 H 1S 0.11467 0.02884 0.08542 0.06951 -0.25030 289 2S 0.19756 -0.08111 0.15754 -0.16230 -0.19149 290 34 H 1S -0.36486 0.03543 0.05642 -0.01918 0.08088 291 2S -0.38919 0.38867 -0.08813 -0.10935 0.50496 292 35 H 1S 0.27188 0.27795 -0.02603 -0.04723 -0.12520 293 2S 0.05325 -0.14021 0.25717 0.16993 -0.01684 294 36 H 1S -0.20016 -0.04189 -0.02444 0.09440 -0.05275 295 2S -0.37269 -0.15144 0.04467 0.15367 -0.06090 296 37 H 1S 0.13967 0.28460 0.08096 0.00228 0.01783 297 2S 0.14794 0.16693 0.00218 -0.04171 0.08062 298 38 H 1S -0.03593 -0.37844 0.17900 0.26119 0.06616 299 2S -0.00181 -0.44838 0.11932 0.35796 -0.07295 300 39 H 1S 0.05983 0.19478 0.03022 -0.05224 0.08099 301 2S -0.02372 -0.05824 0.11862 0.15325 -0.03175 302 40 H 1S 0.06285 -0.27885 0.05953 0.08227 0.01020 303 2S 0.27328 -0.33809 -0.02451 0.11845 -0.29379 196 197 198 199 200 V V V V V Eigenvalues -- 1.10864 1.12141 1.16048 1.18319 1.19465 1 1 C 1S 0.00098 0.00327 0.02213 0.03123 0.01248 2 2S -0.04196 0.40494 0.50690 0.47514 0.11998 3 2PX -0.02982 0.25092 0.03596 -0.04748 -0.06577 4 2PY 0.00979 0.02266 0.17030 -0.11399 -0.00669 5 2PZ -0.00226 0.03699 -0.01153 0.01043 0.02061 6 3S -0.37987 1.02836 -1.80475 -1.68691 -1.31428 7 3PX -0.54391 0.02736 -0.96573 0.28291 -0.15992 8 3PY -0.13822 -1.26093 0.40990 0.10174 0.40392 9 3PZ -0.25871 -0.59778 -0.17743 0.43836 0.08481 10 4XX 0.04847 0.07556 -0.09831 -0.04268 -0.07117 11 4YY -0.04144 -0.09422 0.09432 0.08353 0.09348 12 4ZZ -0.01573 0.07834 0.05069 0.01789 -0.01638 13 4XY 0.04512 -0.00915 -0.07285 -0.02543 -0.05900 14 4XZ 0.12614 -0.04785 -0.08232 -0.17413 0.06364 15 4YZ 0.03898 0.01230 -0.03120 -0.08776 0.00020 16 2 C 1S 0.02894 0.00790 0.04079 0.00760 0.02283 17 2S 0.31838 0.31875 0.79431 0.19915 0.33855 18 2PX 0.01803 0.23482 0.16109 0.06459 0.10834 19 2PY 0.01486 -0.08507 -0.01753 -0.01180 -0.00380 20 2PZ 0.05464 0.01682 0.00050 -0.00451 -0.04047 21 3S -0.99289 -0.06751 -1.57969 -0.27540 -0.62047 22 3PX 0.03142 -0.50876 -0.34505 -0.30936 -0.20711 23 3PY 0.25821 1.06885 0.15841 -0.60913 0.04964 24 3PZ 0.00842 0.29801 -0.16228 0.74400 0.47795 25 4XX -0.07330 -0.04516 0.14556 0.06537 -0.01085 26 4YY 0.08079 0.11254 -0.02179 -0.05926 -0.03377 27 4ZZ 0.04367 -0.02558 -0.00172 0.02330 0.09435 28 4XY -0.03762 0.01768 0.03790 0.04216 0.01738 29 4XZ -0.08507 0.04638 0.09256 0.05073 -0.04374 30 4YZ -0.02776 0.02351 0.01641 0.00397 -0.05736 31 3 C 1S 0.00944 0.01386 0.02874 -0.00123 0.02083 32 2S 0.19441 0.23900 0.62312 0.01506 0.50085 33 2PX 0.05582 0.01291 0.02993 0.06254 0.11977 34 2PY -0.00484 -0.02985 -0.07627 -0.03986 -0.12176 35 2PZ 0.00793 0.04671 0.02967 0.09923 0.11904 36 3S -0.43328 -0.48149 -1.56323 0.30159 -0.76852 37 3PX -0.14665 0.68854 -0.55928 -0.79767 -0.49446 38 3PY -0.21665 0.18147 0.07568 -0.44391 -0.08781 39 3PZ -0.16249 -0.37778 0.41288 -0.55697 -0.63675 40 4XX 0.06038 -0.01342 -0.03410 0.01191 0.05929 41 4YY -0.02925 0.01330 0.07545 -0.00578 0.05828 42 4ZZ -0.00465 0.03603 0.02959 -0.00711 -0.05448 43 4XY 0.06578 -0.02335 -0.04698 0.04633 0.03680 44 4XZ 0.05852 -0.07716 -0.06349 -0.01762 0.07805 45 4YZ 0.03296 -0.03503 -0.06399 0.05145 0.05285 46 4 C 1S 0.02114 0.00889 -0.01678 -0.01523 0.00499 47 2S 0.34364 -0.01446 -0.16656 -0.20990 0.18787 48 2PX 0.15937 0.04672 0.16043 0.00106 0.03091 49 2PY 0.05653 0.14984 0.08877 -0.10770 -0.08522 50 2PZ 0.01376 -0.03729 0.06984 -0.01818 -0.02602 51 3S -0.69082 -0.82842 0.86485 1.18636 0.17736 52 3PX -0.32010 -0.01093 -1.10494 0.21856 0.03141 53 3PY 0.11245 -0.78344 -0.21243 0.58055 0.39990 54 3PZ 0.16021 -0.44804 -0.40116 0.66624 0.33533 55 4XX -0.04724 0.04394 0.02641 -0.02774 -0.05945 56 4YY 0.08907 -0.06459 0.00693 -0.00672 -0.00164 57 4ZZ 0.01867 0.00983 -0.05511 0.01534 0.10185 58 4XY -0.06486 0.09594 0.02486 -0.07918 -0.01967 59 4XZ -0.07524 0.01063 0.06217 0.02688 -0.13199 60 4YZ -0.02042 -0.02400 -0.00613 0.03458 -0.07077 61 5 C 1S -0.00468 -0.00567 0.00365 0.00858 -0.00141 62 2S 0.01713 -0.22378 -0.25059 0.08424 -0.01115 63 2PX 0.07025 0.34057 0.14707 0.02612 0.14513 64 2PY 0.12700 -0.15617 -0.04540 0.02166 -0.02532 65 2PZ -0.01438 -0.06844 -0.04413 -0.00124 -0.06682 66 3S -0.11706 -1.29669 0.69405 -0.90653 -0.30192 67 3PX -0.67554 -0.44076 -0.35268 0.21466 -0.43094 68 3PY -0.68348 1.92814 -0.10404 -0.73587 -0.11382 69 3PZ 0.02739 0.14770 -0.08739 0.32108 0.67753 70 4XX 0.08282 0.00475 -0.04140 -0.00354 0.12817 71 4YY -0.06518 0.04156 -0.04802 -0.04521 -0.02184 72 4ZZ -0.02007 -0.09291 0.05894 0.05141 -0.11301 73 4XY 0.08715 -0.09198 -0.00341 -0.02074 -0.00788 74 4XZ 0.12954 -0.00560 -0.10411 -0.02866 0.16097 75 4YZ 0.01581 0.02862 -0.06246 -0.02227 0.05984 76 6 C 1S 0.02637 0.02004 -0.02208 0.00001 -0.05795 77 2S 0.44049 0.21071 -0.22032 -0.13750 -1.00867 78 2PX 0.23265 -0.21611 0.29409 -0.00921 0.13051 79 2PY -0.10833 -0.25816 0.15335 -0.08781 -0.01079 80 2PZ -0.04222 0.03209 0.01632 0.20023 0.21203 81 3S -1.79829 -0.73098 1.64466 -0.93366 2.22433 82 3PX -1.64352 2.37831 -1.89535 -0.67703 -0.90986 83 3PY 0.76885 2.08165 -1.04687 1.18548 -0.45982 84 3PZ 0.33146 -0.91233 0.23796 -0.88860 -0.51666 85 4XX -0.04197 0.05035 -0.00016 0.07461 -0.08515 86 4YY 0.09087 -0.03751 0.05656 -0.10642 -0.16502 87 4ZZ -0.02469 0.00476 -0.06629 0.02192 0.18396 88 4XY -0.07712 -0.05916 0.10984 0.03653 0.01811 89 4XZ -0.14753 0.05320 0.09655 0.18738 0.01749 90 4YZ -0.00881 -0.07348 0.06967 -0.07595 -0.05161 91 7 C 1S -0.00977 -0.02274 0.01002 -0.04865 -0.02294 92 2S -0.27836 -0.26858 0.29886 -0.85769 -0.30771 93 2PX -0.02580 0.15743 0.03139 -0.06855 -0.04059 94 2PY 0.01021 0.00670 0.03585 -0.03865 -0.01566 95 2PZ -0.03208 -0.12674 -0.09090 0.07471 0.04325 96 3S 1.35369 1.57812 -0.86686 2.45960 0.67004 97 3PX 0.10191 -2.12826 0.89772 -0.57779 0.71965 98 3PY 0.75362 0.08815 -0.12597 0.87420 -0.33212 99 3PZ -0.41591 0.63491 0.25130 -0.71134 -0.29796 100 4XX -0.05025 -0.02935 0.03738 -0.06000 0.01076 101 4YY -0.01609 0.08517 -0.07406 0.07795 0.03933 102 4ZZ 0.04861 -0.09206 0.05180 -0.09482 -0.07357 103 4XY -0.07759 -0.08314 -0.06815 -0.00559 0.13557 104 4XZ -0.02658 0.05734 -0.06322 -0.08804 -0.01015 105 4YZ -0.09472 0.11770 -0.04170 0.14806 0.12587 106 8 C 1S -0.01763 -0.02059 0.01113 -0.04762 0.00714 107 2S -0.39264 -0.19783 0.09795 -0.74569 0.22064 108 2PX 0.06542 -0.16914 0.11171 -0.03787 0.03327 109 2PY -0.01459 0.09779 0.00643 -0.06300 -0.04955 110 2PZ -0.06640 0.12494 -0.03526 0.05802 0.00474 111 3S 0.87573 1.20596 -0.25555 1.89079 -1.09247 112 3PX -0.08068 0.16714 0.16112 0.01623 0.24118 113 3PY 0.08350 -0.44036 0.06998 0.23256 0.25342 114 3PZ 0.35963 -0.94650 -0.06702 0.22412 0.43630 115 4XX -0.02957 0.02829 -0.01053 -0.08091 -0.03901 116 4YY -0.00952 -0.09936 0.03428 0.01354 0.06604 117 4ZZ -0.00803 0.03872 -0.00871 -0.03005 -0.01186 118 4XY 0.05020 0.03793 0.05451 0.08490 -0.12752 119 4XZ 0.01380 0.01185 0.08041 0.10304 -0.03596 120 4YZ 0.01977 0.01566 0.00525 0.03532 -0.07273 121 9 C 1S -0.01021 0.00763 -0.00138 -0.02206 0.00559 122 2S -0.21517 0.12783 -0.06611 -0.33463 0.30177 123 2PX 0.00631 0.19226 -0.00078 -0.22242 -0.00466 124 2PY -0.04840 0.03478 -0.10599 -0.01260 0.14426 125 2PZ -0.01982 -0.12669 0.01751 0.12370 0.03746 126 3S 0.25764 -0.60787 -0.14962 1.02983 0.07238 127 3PX 1.14083 -0.70574 0.10831 1.26668 -0.27103 128 3PY -0.12871 0.32364 0.88297 -0.16577 -0.46241 129 3PZ 0.10706 0.60759 0.26635 -0.78808 -0.73269 130 4XX 0.03598 -0.00635 0.03889 -0.08684 0.10892 131 4YY -0.05197 0.06793 -0.12149 -0.05833 -0.03485 132 4ZZ -0.01480 -0.05993 0.06907 0.10032 -0.02920 133 4XY 0.01585 -0.06961 0.04794 0.04493 -0.00026 134 4XZ -0.00556 -0.01499 -0.00829 -0.04004 0.12271 135 4YZ -0.01504 0.00851 -0.04644 -0.01575 0.02225 136 10 C 1S -0.01651 0.01374 0.00033 -0.00746 0.00421 137 2S -0.35315 0.20481 -0.03283 -0.20200 0.07248 138 2PX 0.34170 0.08175 0.15038 -0.18451 0.03687 139 2PY -0.14229 -0.01465 0.17862 -0.13546 -0.11488 140 2PZ -0.22411 -0.02247 0.05641 0.03690 0.08746 141 3S 0.69477 0.40420 -0.40378 0.50415 0.08232 142 3PX -1.33685 -0.47535 -0.81715 0.38698 -0.37364 143 3PY 0.04210 -0.04417 -1.05587 0.89742 0.84875 144 3PZ 1.35145 0.07921 -0.22695 -0.03502 -0.51926 145 4XX -0.14039 0.05807 0.01920 0.00672 -0.11444 146 4YY 0.04548 -0.07878 0.07214 0.03802 0.03978 147 4ZZ 0.03608 0.07869 -0.10376 -0.06344 0.08768 148 4XY 0.01493 0.01940 -0.02544 -0.02239 -0.04257 149 4XZ -0.01185 -0.05048 0.00799 0.06786 -0.14497 150 4YZ 0.02586 -0.03091 -0.02318 0.06833 -0.04273 151 11 C 1S -0.03282 0.00014 0.00097 -0.00430 -0.00546 152 2S -0.47727 0.03694 0.05557 -0.01752 -0.17918 153 2PX 0.18866 0.00353 0.06067 -0.02347 -0.00579 154 2PY -0.15308 -0.02043 -0.03445 -0.04092 0.02073 155 2PZ 0.21334 0.02776 0.08169 0.02394 -0.11007 156 3S 1.97398 0.23830 0.30280 0.01699 -0.07974 157 3PX -0.61395 0.14008 -0.81930 0.60391 0.40165 158 3PY 0.00881 0.03318 -0.24436 0.15327 0.11105 159 3PZ -1.18418 0.03507 0.09750 -0.60971 0.72231 160 4XX 0.01422 -0.00952 0.02748 -0.02818 0.10905 161 4YY -0.08517 0.07164 -0.01480 -0.08112 -0.04075 162 4ZZ 0.00763 -0.05076 -0.00165 0.09941 -0.10026 163 4XY 0.05740 -0.00660 0.03685 -0.00709 -0.00570 164 4XZ -0.03029 0.03497 -0.02363 -0.07231 0.12699 165 4YZ 0.07987 -0.00490 0.00710 0.01243 -0.02861 166 12 H 1S -0.29584 0.04360 -0.03471 -0.08116 0.14605 167 2S -0.67378 -0.10618 0.03525 -0.08614 0.10664 168 13 H 1S 0.04842 -0.04287 -0.01517 0.10233 -0.14829 169 2S 0.13439 -0.03771 0.21353 -0.03477 -0.27661 170 14 C 1S -0.01125 -0.00262 -0.01032 0.03658 -0.00864 171 2S -0.23636 0.02489 -0.12763 0.54639 -0.15269 172 2PX -0.02283 0.03595 -0.05288 -0.08100 0.08781 173 2PY -0.03454 0.02791 -0.05807 -0.05096 0.04315 174 2PZ 0.00239 -0.00467 0.00113 0.09760 -0.04042 175 3S 0.71620 -0.18911 0.67656 -1.32928 0.11890 176 3PX 0.79703 -0.12680 0.04272 0.53714 -0.54870 177 3PY -0.47908 -0.22141 0.41294 -0.13464 -0.17940 178 3PZ 0.34080 -0.28649 0.24384 0.16632 -0.39823 179 4XX -0.01207 -0.01494 -0.00364 0.05894 -0.12928 180 4YY -0.00563 -0.03342 0.01194 0.06580 0.04836 181 4ZZ -0.01732 0.04566 -0.02677 -0.04659 0.05690 182 4XY -0.01529 0.03171 -0.03558 -0.03541 0.01383 183 4XZ 0.02498 -0.03901 0.03023 0.06422 -0.13842 184 4YZ 0.01764 -0.03544 0.04387 0.01206 -0.02623 185 15 H 1S -0.02259 0.01343 -0.06272 0.13193 0.03516 186 2S -0.12185 0.06183 -0.13795 0.05027 0.09030 187 16 H 1S 0.00244 -0.10894 0.04003 0.24103 -0.16830 188 2S -0.05447 -0.08528 0.04952 0.22917 -0.20789 189 17 C 1S -0.00450 -0.00231 -0.01240 0.03147 -0.01431 190 2S -0.07860 -0.06094 -0.14584 0.50823 -0.15022 191 2PX 0.12091 0.08430 -0.01874 -0.10957 -0.00186 192 2PY -0.04842 -0.03319 0.02371 0.00248 0.02261 193 2PZ -0.05122 -0.04333 0.03374 0.00798 0.01973 194 3S -0.20379 -0.31106 0.59282 -1.14243 0.64271 195 3PX -0.21178 -0.00519 0.00512 0.15021 0.16979 196 3PY -0.27964 0.61110 -0.49622 -0.05411 0.20400 197 3PZ 1.14013 0.17637 -0.00828 -0.14208 -0.16761 198 4XX 0.08755 0.00933 -0.02646 0.02303 0.10408 199 4YY -0.03611 0.01300 -0.01734 -0.02068 -0.07134 200 4ZZ -0.06625 -0.04606 0.02407 0.07518 -0.04865 201 4XY -0.02307 -0.04288 0.02014 0.00369 0.01952 202 4XZ -0.00151 0.00801 0.00496 -0.03209 0.07109 203 4YZ 0.01161 0.01975 0.00563 -0.04365 0.01849 204 18 C 1S 0.01755 -0.00969 -0.00727 0.02335 -0.00043 205 2S 0.12408 -0.12329 -0.09438 0.34149 0.06494 206 2PX 0.16589 -0.13266 0.04045 0.00641 0.01210 207 2PY -0.11978 -0.03606 -0.03894 -0.03962 0.06708 208 2PZ 0.16554 0.05409 -0.01627 0.07627 -0.06822 209 3S -1.34637 1.12214 0.15514 -1.46810 -0.12188 210 3PX -0.46920 0.18699 -0.65898 0.69203 0.19265 211 3PY -0.18422 0.52085 -0.23024 0.02945 -0.08639 212 3PZ -1.21010 -0.34716 0.13714 -0.45833 0.33768 213 4XX -0.05888 0.03546 -0.05846 0.02777 -0.05336 214 4YY 0.06611 -0.05895 0.05899 0.06709 0.01610 215 4ZZ 0.00591 0.02123 -0.01443 -0.04836 0.03824 216 4XY -0.06630 -0.02307 -0.03517 0.02868 -0.00215 217 4XZ 0.00885 -0.03766 -0.00407 0.08461 -0.05209 218 4YZ -0.09286 0.00329 0.00684 -0.02857 0.00025 219 19 H 1S -0.19474 -0.03333 -0.10185 0.07614 0.02208 220 2S -0.16761 -0.04841 -0.06564 0.10821 0.12946 221 20 H 1S 0.26918 0.08089 -0.03277 0.11225 -0.03475 222 2S 0.40496 0.05289 -0.00219 0.17463 -0.15779 223 21 H 1S -0.19934 -0.10719 -0.00387 0.16208 -0.09473 224 2S -0.15192 -0.14441 0.00323 0.23403 -0.08497 225 22 H 1S 0.06802 0.09137 -0.09797 0.06888 -0.09907 226 2S 0.15223 0.12854 -0.11801 0.01885 -0.12523 227 23 H 1S 0.04429 0.03673 -0.20936 0.08577 0.00676 228 2S 0.19762 0.00265 -0.16995 0.09454 0.08502 229 24 H 1S -0.14811 -0.10623 -0.13083 -0.01477 0.15048 230 2S -0.06932 0.03811 -0.28064 -0.04484 0.41786 231 25 H 1S -0.03002 -0.23813 0.06953 -0.16153 0.09203 232 2S -0.01821 -0.27851 -0.02937 -0.03685 0.18449 233 26 H 1S -0.11525 0.08213 0.04705 -0.25519 -0.07126 234 2S -0.36427 0.16503 0.03047 -0.29728 0.03266 235 27 H 1S 0.06820 -0.45164 0.17502 -0.09431 0.00520 236 2S 0.07017 -0.67683 0.18813 -0.05810 0.09540 237 28 Br 1S -0.00317 -0.00478 -0.00218 0.00317 0.00818 238 2S 0.01842 0.02729 0.01501 -0.01816 -0.04239 239 3S -0.01606 -0.02221 -0.01943 0.01659 0.02426 240 4S -0.05794 -0.08996 -0.03350 0.05269 0.15932 241 5S 0.01751 0.06427 0.34602 0.17254 0.53952 242 6S 0.18545 0.24285 -0.58837 -0.80241 -1.97338 243 7PX 0.00312 0.00465 0.00735 0.00093 -0.00397 244 7PY 0.00765 0.00040 0.00577 -0.00823 -0.00599 245 7PZ 0.00153 0.00674 0.00259 -0.00740 -0.00719 246 8PX -0.01031 -0.01528 -0.02421 -0.00307 0.01311 247 8PY -0.02510 -0.00087 -0.01962 0.02728 0.01912 248 8PZ -0.00485 -0.02222 -0.00881 0.02455 0.02316 249 9PX 0.04408 0.06147 0.09517 0.02008 -0.05272 250 9PY 0.08906 -0.02533 0.12157 -0.10961 -0.02391 251 9PZ 0.00813 0.09459 0.04973 -0.08315 -0.04220 252 10PX -0.08933 -0.04870 -0.04659 -0.15409 0.00869 253 10PY 0.01661 0.23476 -0.37946 0.00033 -0.37876 254 10PZ 0.01362 -0.12325 -0.01694 -0.33985 -0.41731 255 11XX 0.02265 0.00573 0.00591 -0.00886 -0.03504 256 11YY -0.00698 -0.01407 0.03029 -0.01923 0.01159 257 11ZZ 0.00363 0.03533 -0.01126 0.01072 0.00007 258 11XY 0.00888 0.01025 -0.00005 -0.00069 -0.00926 259 11XZ 0.00570 -0.00442 -0.00124 0.01802 0.00211 260 11YZ 0.00051 -0.03241 0.02951 -0.00768 0.02120 261 12XX -0.17624 -0.06788 0.11467 0.16333 0.62269 262 12YY 0.04778 0.05114 -0.05667 0.20323 0.29366 263 12ZZ -0.07232 -0.27067 0.25059 -0.07193 0.34422 264 12XY -0.03791 -0.06921 0.02742 -0.01219 0.05403 265 12XZ -0.03792 0.03874 0.03352 -0.13808 -0.03995 266 12YZ 0.02992 0.21819 -0.19104 -0.01299 -0.20706 267 29 C 1S 0.00706 0.01397 -0.06284 0.00499 0.00383 268 2S 0.07326 0.05242 -0.96185 0.06230 -0.02100 269 2PX 0.00270 0.20023 0.08345 -0.00621 0.00659 270 2PY -0.03777 0.00608 0.03348 0.07054 0.02309 271 2PZ -0.05370 0.04879 0.13299 -0.06691 0.04499 272 3S 0.06923 -0.74567 2.35657 -0.08942 -0.22752 273 3PX -0.26110 -0.07672 -0.08061 0.02342 0.08739 274 3PY 0.20065 0.06117 -0.01931 -0.18715 0.05703 275 3PZ -0.13793 0.35196 -0.27291 -0.06845 -0.04790 276 4XX -0.03001 0.06866 -0.00505 0.03210 0.02586 277 4YY 0.03042 -0.06615 -0.01594 0.01513 -0.05010 278 4ZZ 0.01878 0.01361 -0.10888 -0.02655 0.03361 279 4XY -0.00878 0.02854 0.01372 0.01592 0.01243 280 4XZ -0.07210 0.05520 0.09211 0.03253 -0.04576 281 4YZ 0.00781 -0.04197 -0.01279 0.00415 -0.02184 282 30 H 1S -0.13404 0.08512 -0.20090 0.00383 -0.02699 283 2S -0.08255 -0.07848 -0.40366 0.13093 0.10897 284 31 H 1S 0.13870 -0.00819 -0.21935 0.03122 0.02160 285 2S 0.12648 -0.08603 -0.21060 0.02721 0.06222 286 32 H 1S 0.12480 -0.04695 -0.20831 -0.01866 -0.00378 287 2S -0.08173 0.18256 -0.42464 0.15317 -0.05338 288 33 H 1S 0.15442 -0.09673 -0.18747 0.12554 0.04304 289 2S 0.11965 -0.24333 -0.21150 0.11577 0.27459 290 34 H 1S 0.00686 0.11491 0.10048 -0.20950 -0.11206 291 2S 0.35248 0.27331 0.14992 -0.16870 -0.03058 292 35 H 1S 0.12984 0.07380 0.01055 0.16529 0.21528 293 2S 0.14431 0.21421 0.18918 0.13668 0.26723 294 36 H 1S 0.00733 0.02213 0.18611 -0.09992 -0.01838 295 2S 0.05713 -0.01075 0.15229 -0.18976 -0.14695 296 37 H 1S 0.23229 0.26215 0.06793 0.06931 0.12318 297 2S 0.07922 0.23957 0.36619 0.13030 0.37484 298 38 H 1S 0.08542 -0.10907 0.07389 -0.06007 0.02213 299 2S 0.13846 -0.25236 -0.01911 -0.09022 -0.09814 300 39 H 1S 0.10306 0.22008 0.01711 0.04536 0.00291 301 2S 0.04707 0.44771 0.26850 0.08630 0.02162 302 40 H 1S -0.07954 -0.21307 0.12524 0.14536 0.11789 303 2S -0.10452 -0.33871 0.11950 0.22569 0.31333 201 202 203 204 205 V V V V V Eigenvalues -- 1.23621 1.27740 1.30118 1.31006 1.36691 1 1 C 1S 0.03237 -0.01197 0.02995 -0.02588 -0.05025 2 2S 0.57104 -0.06476 0.48569 -0.32682 -0.56381 3 2PX 0.16094 0.00271 0.05188 0.01223 -0.03425 4 2PY 0.06949 0.01662 0.02074 -0.04497 0.00805 5 2PZ -0.16133 0.02433 -0.04324 0.06844 0.05484 6 3S -0.75435 0.29924 -1.10680 1.68642 2.26653 7 3PX 0.13954 -0.21159 0.35544 0.51809 0.09649 8 3PY -0.39579 -0.02609 -0.26877 -0.11021 0.34133 9 3PZ 0.23956 -0.21389 0.29914 -0.17380 -0.48995 10 4XX 0.10751 0.02827 -0.02382 0.06872 0.01012 11 4YY 0.02806 -0.01607 0.09064 -0.07999 -0.09572 12 4ZZ -0.07904 -0.02555 -0.01912 -0.02360 0.03785 13 4XY -0.03953 0.01505 -0.08316 0.05585 0.06380 14 4XZ 0.12680 0.00932 -0.14145 0.02991 -0.05997 15 4YZ 0.02758 0.00948 -0.05357 0.03771 -0.03517 16 2 C 1S 0.00019 0.02023 0.00214 -0.00693 0.04556 17 2S -0.02835 0.21577 0.04106 -0.07710 0.50367 18 2PX 0.06521 -0.01810 0.00734 -0.01230 -0.07791 19 2PY 0.00616 0.01158 -0.02093 0.00131 0.02701 20 2PZ 0.00095 0.04037 0.01921 0.01901 0.02497 21 3S 0.13951 -0.84228 -0.21347 0.18087 -2.26388 22 3PX -0.09405 -0.05989 -0.12333 0.02078 -0.07706 23 3PY -0.42279 0.03030 -0.76100 0.30689 -0.02602 24 3PZ 0.24645 -0.20709 0.53201 -0.10114 -0.39665 25 4XX -0.08818 0.00741 -0.01605 -0.06596 0.03451 26 4YY -0.02711 0.04321 -0.08993 0.06423 0.12599 27 4ZZ 0.10708 -0.02032 0.10177 -0.01328 -0.12021 28 4XY -0.00856 -0.01424 0.01671 -0.01150 -0.04201 29 4XZ -0.08577 -0.02009 -0.02373 -0.05542 0.04303 30 4YZ -0.05730 0.01167 -0.02248 -0.00400 0.06652 31 3 C 1S -0.03142 -0.00422 -0.04374 0.00097 -0.02364 32 2S -0.52230 -0.05066 -0.66712 0.11673 -0.22814 33 2PX -0.05828 -0.01357 -0.02865 0.06121 0.03163 34 2PY 0.12825 0.00687 0.05719 -0.03003 -0.05155 35 2PZ -0.09404 -0.00591 0.00302 0.04349 0.09987 36 3S 1.05716 0.12548 2.11136 0.00359 1.40484 37 3PX -0.08787 -0.07614 -0.23983 0.37035 -0.02243 38 3PY -0.18840 -0.10613 -0.43092 0.14572 -0.21434 39 3PZ 0.47702 0.16585 -0.06615 -0.33063 -0.30473 40 4XX -0.00747 0.00612 0.04652 0.00685 0.00696 41 4YY -0.01059 -0.01724 -0.05106 0.01782 -0.08695 42 4ZZ -0.05219 0.00108 -0.06460 -0.01330 0.06054 43 4XY 0.03441 0.01983 0.06221 -0.00109 0.02447 44 4XZ 0.12206 -0.00954 0.09201 0.00309 -0.15382 45 4YZ 0.02975 -0.01664 0.06462 0.00280 -0.03369 46 4 C 1S -0.04825 -0.00060 -0.01043 0.04055 0.04280 47 2S -0.71634 -0.02205 -0.27768 0.53132 0.41457 48 2PX 0.06539 0.05521 -0.02555 0.00074 -0.01376 49 2PY 0.09299 0.02712 0.04110 -0.02393 0.05309 50 2PZ -0.09340 0.04304 -0.05515 -0.00487 0.03496 51 3S 1.70188 0.21218 0.16492 -1.33664 -1.88598 52 3PX 0.10042 -0.16517 0.51024 0.16592 0.10184 53 3PY -0.55260 -0.07557 -0.00807 -0.12206 0.01525 54 3PZ -0.04961 -0.02335 0.06164 -0.01932 -0.21181 55 4XX -0.09991 -0.01302 -0.05261 -0.00124 0.05787 56 4YY -0.03620 0.06490 0.06903 -0.01672 0.07826 57 4ZZ 0.04455 -0.04881 -0.05667 0.08205 -0.10249 58 4XY 0.03168 -0.03266 -0.09434 0.03625 -0.07313 59 4XZ -0.12427 0.00384 -0.07072 -0.01851 0.12185 60 4YZ -0.03662 0.00192 0.02835 -0.04718 0.07726 61 5 C 1S 0.00242 -0.00172 -0.00720 -0.01459 -0.02616 62 2S -0.06523 -0.22090 -0.05682 -0.30112 -0.35112 63 2PX -0.02284 -0.09975 0.03788 -0.03960 -0.06970 64 2PY -0.03100 0.10078 0.04769 0.11370 -0.02734 65 2PZ -0.03944 -0.01075 -0.01219 -0.14697 0.10738 66 3S 0.18387 0.62734 0.18899 0.34585 1.42634 67 3PX 0.39279 0.53065 -0.43670 -0.13395 -0.79467 68 3PY -0.07984 -0.49728 -0.29969 0.26858 -0.21901 69 3PZ 0.50303 0.00963 -0.00102 0.71824 -0.41989 70 4XX 0.15772 0.03149 0.02852 -0.00110 -0.03761 71 4YY -0.02787 -0.05977 -0.19823 0.03263 -0.01276 72 4ZZ -0.13501 0.01370 0.15467 -0.03948 0.01954 73 4XY 0.06440 0.03451 0.08729 -0.06800 0.01720 74 4XZ 0.10588 -0.02654 -0.08410 0.06590 -0.01958 75 4YZ 0.03343 -0.03219 -0.05318 -0.02080 -0.03003 76 6 C 1S 0.03687 0.02048 0.03318 0.00641 0.02249 77 2S 0.61462 0.36435 0.49580 -0.09003 0.19936 78 2PX -0.11026 0.08350 -0.06595 -0.15641 -0.02391 79 2PY 0.09347 -0.00338 -0.00302 0.00316 0.00881 80 2PZ -0.06400 -0.03145 -0.03573 0.09251 0.03659 81 3S -1.14467 -1.39216 -1.51277 -0.67035 -1.94863 82 3PX 0.43413 -0.70143 -0.08270 1.25344 0.00604 83 3PY -0.11503 0.53284 0.03763 -0.15434 -0.53940 84 3PZ 0.08641 -0.09855 0.10424 -0.72471 0.06086 85 4XX 0.00213 0.00667 0.10094 -0.00303 0.04029 86 4YY 0.00944 0.13136 0.00882 0.00532 -0.00353 87 4ZZ 0.03077 -0.14356 -0.07988 -0.01852 -0.02075 88 4XY -0.02466 0.01595 0.05364 -0.10372 -0.01966 89 4XZ -0.14392 -0.06175 0.17259 -0.08652 -0.02680 90 4YZ -0.07951 0.04582 -0.05553 0.02385 0.00737 91 7 C 1S 0.00210 -0.06003 -0.01304 -0.00731 -0.04827 92 2S 0.01585 -0.73765 -0.26175 0.00631 -0.77146 93 2PX 0.03404 0.04993 0.01491 0.06788 -0.01698 94 2PY 0.03276 0.06801 0.00861 0.01438 -0.03323 95 2PZ 0.02349 -0.02259 0.01075 -0.08134 0.11339 96 3S 0.00452 3.10496 1.29087 0.43775 2.52582 97 3PX -0.10995 0.04749 0.29361 -0.45577 0.68524 98 3PY 0.00277 -0.03184 0.06558 -0.19476 0.06865 99 3PZ 0.21948 -0.16495 0.20084 0.78204 -0.31825 100 4XX -0.02537 -0.02928 -0.02058 0.00930 -0.02778 101 4YY -0.00564 -0.05708 0.08015 -0.07054 0.02756 102 4ZZ 0.02239 0.01273 -0.05757 0.05165 -0.01369 103 4XY -0.06074 -0.05108 0.02033 -0.19447 0.03248 104 4XZ -0.02734 0.08268 -0.03452 -0.11194 -0.05664 105 4YZ 0.00563 -0.05123 0.07610 -0.05396 0.11074 106 8 C 1S -0.00201 0.01768 0.03407 0.02786 0.04685 107 2S 0.02110 0.19322 0.59548 0.36778 0.74641 108 2PX -0.00582 0.04807 0.01702 -0.12661 0.06231 109 2PY 0.02452 -0.01056 0.06492 0.10733 0.00540 110 2PZ -0.00171 -0.00515 -0.00214 -0.00103 -0.00941 111 3S 0.44729 -0.74964 -1.86484 -1.04796 -2.54059 112 3PX 0.29177 0.71435 0.23408 0.21823 0.50145 113 3PY 0.02940 0.48920 -0.26280 -0.32950 -0.07044 114 3PZ -0.23631 0.11305 -0.02840 -0.27120 0.09383 115 4XX -0.02276 -0.01537 -0.04898 0.03858 -0.05720 116 4YY 0.04133 -0.01180 0.08172 -0.04044 0.10441 117 4ZZ -0.00744 0.04100 0.02517 0.03184 0.01597 118 4XY 0.05135 -0.02371 -0.01732 0.18957 -0.05136 119 4XZ 0.06448 -0.03294 0.06823 0.15621 0.00167 120 4YZ -0.01746 -0.06691 -0.06202 0.11945 -0.05622 121 9 C 1S -0.00335 0.01515 0.04383 0.00564 0.02361 122 2S -0.12563 0.14394 0.74551 0.15479 0.16712 123 2PX -0.10294 -0.05806 0.15837 0.07410 -0.08297 124 2PY -0.12980 -0.05776 0.04100 0.12165 -0.13948 125 2PZ 0.09225 0.07762 -0.11008 -0.04717 0.10794 126 3S -0.10768 -0.63824 -1.88115 0.22067 -1.31318 127 3PX 0.11805 0.75713 -0.53891 -0.47302 -0.55867 128 3PY 0.86152 0.01400 -0.71631 -0.47312 -0.10860 129 3PZ -0.14893 -0.23703 0.59097 0.05999 0.36076 130 4XX 0.10195 0.12466 0.10938 -0.10798 0.05968 131 4YY -0.15975 0.00903 -0.08743 -0.11656 -0.03081 132 4ZZ 0.02972 -0.11202 0.06328 0.25754 -0.01517 133 4XY 0.05930 0.00484 0.00984 0.03348 0.01919 134 4XZ 0.01880 0.07923 0.01694 -0.13336 0.02104 135 4YZ -0.03465 0.02237 -0.00336 -0.03370 0.02077 136 10 C 1S -0.00170 -0.04549 -0.00456 -0.01705 -0.05185 137 2S 0.05251 -0.80420 0.07203 -0.36009 -0.60579 138 2PX -0.15349 -0.14672 0.10115 0.00529 0.01473 139 2PY 0.06037 0.15249 -0.01283 -0.02985 -0.15520 140 2PZ 0.06234 0.05582 -0.16035 0.07172 -0.06785 141 3S -0.08776 1.15765 0.44826 0.77927 2.33360 142 3PX 0.54691 0.39559 0.08167 -0.12470 0.90960 143 3PY -0.11641 -0.98261 -0.27963 0.13968 0.88565 144 3PZ -0.72018 -0.39168 1.09232 -0.63686 0.30699 145 4XX -0.08449 -0.03238 -0.06108 -0.01653 -0.11441 146 4YY 0.09939 -0.09363 0.18214 0.08588 0.03252 147 4ZZ -0.02146 0.00837 -0.11069 -0.10386 0.02109 148 4XY -0.08080 -0.02888 -0.05963 -0.02512 -0.04725 149 4XZ -0.13032 -0.07499 0.06819 -0.00057 -0.02899 150 4YZ -0.02741 -0.04197 0.05411 0.00361 0.00997 151 11 C 1S 0.03742 -0.03375 -0.00858 -0.00793 0.05868 152 2S 0.59393 -0.59227 -0.18724 -0.38308 0.77634 153 2PX -0.04209 -0.09718 -0.05476 -0.02229 0.05995 154 2PY -0.08143 0.21806 0.05600 0.09701 -0.07371 155 2PZ 0.00532 -0.09361 -0.02918 -0.14512 -0.01064 156 3S -1.55714 1.24432 0.10319 0.17605 -2.93354 157 3PX 0.04720 0.35116 -0.32053 0.34003 0.19905 158 3PY 0.16493 -0.23601 -0.03458 -0.08964 0.52458 159 3PZ 0.15002 0.46128 0.05769 0.87790 -0.34167 160 4XX 0.13634 -0.07251 -0.05811 0.11340 0.09475 161 4YY -0.02005 0.12009 -0.09235 -0.20521 -0.08703 162 4ZZ -0.04463 -0.11827 0.11911 0.04723 0.05720 163 4XY 0.01647 -0.03666 0.00955 0.02138 -0.01304 164 4XZ 0.08180 0.08696 -0.08180 0.01875 0.01691 165 4YZ -0.02003 0.02772 -0.00718 -0.06236 0.03030 166 12 H 1S 0.21073 -0.07935 0.00273 0.15237 0.20766 167 2S 0.09451 0.21006 -0.03213 0.22630 0.13977 168 13 H 1S 0.14823 -0.22488 -0.01024 -0.13329 0.25403 169 2S 0.11882 -0.33393 -0.05832 -0.32975 0.26352 170 14 C 1S 0.02086 -0.00917 -0.05895 -0.00193 -0.00566 171 2S 0.44922 -0.01278 -0.97895 -0.16085 0.03169 172 2PX -0.08969 -0.03597 0.11909 0.08294 -0.10977 173 2PY -0.10612 -0.03150 0.11395 0.03682 -0.10194 174 2PZ 0.08295 -0.01909 -0.11746 -0.01274 0.04991 175 3S -0.72169 0.35252 2.39948 0.04728 0.72653 176 3PX -0.17477 0.54470 -0.14874 -0.54722 0.12528 177 3PY 0.74454 -0.09285 -0.56824 -0.14405 0.37462 178 3PZ -0.07726 0.20785 0.25604 -0.21121 0.12165 179 4XX -0.07274 -0.00786 0.02597 -0.09033 -0.02412 180 4YY 0.09723 -0.12033 -0.04680 0.21492 0.00676 181 4ZZ 0.03638 0.12829 -0.09212 -0.15042 0.03496 182 4XY -0.04927 0.04550 0.01081 -0.07614 -0.03247 183 4XZ -0.07973 -0.02854 0.06488 -0.00935 -0.06122 184 4YZ 0.00217 -0.04476 0.01675 0.04216 -0.01327 185 15 H 1S -0.00565 -0.10921 -0.14839 0.09618 -0.09597 186 2S -0.11118 -0.10601 0.00036 0.12573 -0.30092 187 16 H 1S 0.12890 -0.02825 -0.26598 -0.06285 0.02504 188 2S 0.26132 0.08497 -0.37533 -0.14895 0.11100 189 17 C 1S -0.00287 0.04233 -0.01131 0.00971 0.02724 190 2S 0.10498 0.80798 -0.29639 0.17125 0.27056 191 2PX -0.10306 -0.25384 0.13374 -0.07017 0.06801 192 2PY 0.03672 0.08503 -0.06184 0.00234 -0.01760 193 2PZ 0.06493 0.04739 -0.03836 0.03240 -0.05376 194 3S 0.24528 -1.51571 0.22833 -0.33467 -1.48080 195 3PX 0.31109 0.42126 -0.35042 0.19780 0.10077 196 3PY 0.00593 -0.85239 -0.30629 0.26590 0.46232 197 3PZ -0.66491 -0.23653 0.85095 -0.42955 0.05436 198 4XX 0.06559 0.03739 -0.01876 -0.01516 0.01951 199 4YY -0.09260 0.15113 0.00365 -0.20117 -0.00251 200 4ZZ 0.04111 -0.08761 -0.02433 0.23479 0.00156 201 4XY 0.02508 0.01746 0.00166 0.02959 -0.02322 202 4XZ 0.06679 0.06101 -0.02939 -0.07392 0.02555 203 4YZ -0.00534 0.01490 0.02061 -0.07271 0.01889 204 18 C 1S -0.01924 0.05241 0.01453 0.00271 -0.07096 205 2S -0.27779 0.86049 0.24124 0.22628 -0.99913 206 2PX -0.00130 -0.09647 -0.02368 -0.08848 0.06563 207 2PY -0.07101 0.16558 0.11579 0.08864 -0.06631 208 2PZ -0.01326 -0.10907 -0.06107 -0.09113 0.00348 209 3S 0.93274 -1.87399 -0.32392 0.08516 3.18078 210 3PX -0.05818 0.42702 -0.47257 0.57050 -0.13775 211 3PY 0.05052 -0.14003 -0.32139 0.04287 0.41065 212 3PZ 0.18504 0.50286 0.30300 0.44280 -0.07714 213 4XX -0.11370 0.00681 -0.02517 0.08544 -0.04404 214 4YY 0.11354 -0.02983 0.05798 0.14951 -0.01740 215 4ZZ -0.03095 0.12584 0.00567 -0.20217 -0.02764 216 4XY -0.04880 0.00477 -0.04465 0.00845 -0.03339 217 4XZ -0.02616 -0.10426 -0.03407 0.16884 -0.00937 218 4YZ 0.03161 -0.01947 -0.00996 0.06738 -0.02346 219 19 H 1S -0.08218 0.29569 0.03933 0.07696 -0.29722 220 2S -0.07741 0.44452 0.04964 0.20670 -0.26917 221 20 H 1S -0.11245 0.14382 0.01657 -0.12081 -0.26773 222 2S -0.10951 -0.12335 -0.15038 -0.19715 -0.26954 223 21 H 1S 0.05798 0.28052 -0.11587 0.07552 0.06134 224 2S 0.12473 0.42821 -0.22907 0.09247 -0.01331 225 22 H 1S -0.12017 0.02826 0.05816 0.01902 0.16187 226 2S -0.19523 -0.17810 0.18848 -0.05469 0.26672 227 23 H 1S -0.10287 -0.30865 0.07154 -0.15327 -0.07335 228 2S -0.15352 -0.47929 0.29201 -0.25756 0.17425 229 24 H 1S -0.11999 0.05841 0.18654 0.06279 0.06640 230 2S -0.08936 0.05921 0.31948 0.15788 0.06105 231 25 H 1S -0.05154 0.11434 0.10596 0.10031 0.12933 232 2S -0.08105 0.31755 0.03261 -0.05005 0.25817 233 26 H 1S 0.01305 0.02532 0.12850 0.21066 0.17630 234 2S 0.06721 -0.00850 0.19360 0.09518 0.26456 235 27 H 1S -0.01045 -0.24024 -0.09217 -0.19662 -0.15743 236 2S -0.09437 -0.30324 -0.15470 -0.39091 0.02774 237 28 Br 1S 0.00062 -0.00047 0.00180 -0.00368 0.01629 238 2S -0.00787 0.00517 -0.01132 0.02114 -0.08212 239 3S 0.01761 -0.01032 0.01269 -0.01730 0.04006 240 4S 0.00323 -0.00544 0.02887 -0.07134 0.32833 241 5S -0.51422 0.40402 -0.30961 0.06105 0.34255 242 6S 1.17331 -0.98788 0.59188 0.18555 -2.16981 243 7PX 0.00097 -0.00086 -0.00127 0.00255 -0.00788 244 7PY -0.00408 0.00430 -0.00143 0.00135 0.00172 245 7PZ -0.00298 -0.00106 -0.00297 0.00343 -0.00416 246 8PX -0.00327 0.00277 0.00411 -0.00835 0.02597 247 8PY 0.01405 -0.01418 0.00523 -0.00470 -0.00556 248 8PZ 0.01030 0.00308 0.01021 -0.01123 0.01350 249 9PX 0.01604 -0.00250 -0.00927 0.02907 -0.09831 250 9PY -0.09823 0.05632 -0.05398 0.03557 0.02019 251 9PZ -0.07569 0.02881 -0.06561 0.04334 -0.02390 252 10PX -0.00897 -0.11178 -0.03810 0.03355 -0.02422 253 10PY 0.33330 -0.05104 0.23779 -0.12054 -0.08831 254 10PZ 0.30151 -0.44253 0.19360 0.02949 -0.36888 255 11XX 0.00597 -0.00295 0.00602 0.00373 -0.02001 256 11YY -0.01951 -0.01347 -0.01619 0.02157 -0.02238 257 11ZZ -0.01190 0.03174 -0.00476 -0.00403 0.00818 258 11XY 0.00727 0.00493 0.00565 0.00836 -0.00384 259 11XZ 0.00372 0.00966 0.00038 -0.00261 0.00873 260 11YZ -0.02647 0.00473 -0.02641 0.00910 0.00132 261 12XX -0.30350 0.20633 -0.15704 -0.04993 0.73324 262 12YY -0.13618 0.30229 0.00218 -0.18817 0.77401 263 12ZZ -0.17917 -0.08988 -0.08681 -0.00442 0.48773 264 12XY -0.03921 -0.02648 -0.03735 -0.04540 0.00739 265 12XZ -0.01247 -0.09771 -0.01590 0.03791 -0.10740 266 12YZ 0.17315 -0.02341 0.17059 -0.05038 -0.03414 267 29 C 1S -0.00957 -0.02063 0.00744 0.00210 -0.00212 268 2S -0.10627 -0.22072 0.11568 0.00098 -0.00484 269 2PX -0.01333 -0.00056 0.04796 0.05887 0.07674 270 2PY 0.07819 0.06343 0.04888 0.05436 -0.04528 271 2PZ -0.01349 0.01814 -0.08416 0.05064 0.03628 272 3S 0.04284 0.52194 -0.16981 -0.52905 0.08352 273 3PX -0.14824 -0.16165 -0.16941 -0.14380 -0.35970 274 3PY -0.19749 -0.07668 -0.06193 0.16070 0.12782 275 3PZ 0.26922 -0.12421 0.12569 0.09686 -0.08655 276 4XX -0.04276 -0.00609 -0.00959 -0.03229 0.07762 277 4YY -0.00676 -0.00837 0.12296 0.07360 -0.09015 278 4ZZ 0.02892 -0.02424 -0.09629 -0.05296 0.00629 279 4XY -0.04757 -0.01071 -0.00723 -0.01857 0.01888 280 4XZ -0.10521 -0.05448 0.04837 -0.03322 0.02901 281 4YZ -0.04162 -0.00748 0.02607 -0.01537 0.00722 282 30 H 1S -0.05728 -0.08517 -0.02099 -0.00890 -0.08134 283 2S -0.08798 -0.13440 -0.04593 -0.07825 -0.22132 284 31 H 1S -0.08803 -0.04689 0.07778 0.00130 0.01558 285 2S -0.19195 0.03957 -0.07794 0.14338 0.18741 286 32 H 1S 0.04235 -0.08206 0.01745 -0.00874 0.03619 287 2S 0.17621 0.07431 0.15431 0.07840 0.06059 288 33 H 1S -0.28386 -0.01500 -0.02224 0.10702 0.17838 289 2S -0.40994 -0.04591 -0.07284 0.19618 0.05880 290 34 H 1S -0.15211 0.03708 -0.05622 0.15653 0.19474 291 2S -0.00713 0.02656 -0.11169 0.15110 0.22555 292 35 H 1S -0.21891 -0.03054 -0.13251 0.02677 -0.03508 293 2S -0.18440 0.01264 -0.13653 0.10056 0.06564 294 36 H 1S -0.05937 0.01982 -0.18754 -0.02604 -0.11707 295 2S 0.09219 0.03038 -0.16671 -0.08849 -0.27954 296 37 H 1S 0.04551 0.07908 0.02570 0.00975 0.10108 297 2S -0.12716 -0.01654 -0.05632 -0.01625 0.12302 298 38 H 1S 0.05607 0.06558 0.03291 -0.02480 0.20524 299 2S -0.05706 0.09812 0.02450 0.02737 0.30697 300 39 H 1S 0.22728 -0.00062 0.11144 -0.08313 -0.19448 301 2S 0.09160 0.06179 0.13253 -0.01027 -0.06276 302 40 H 1S 0.13575 -0.08737 0.09479 -0.11598 -0.19207 303 2S -0.10664 -0.03754 0.05970 -0.04391 -0.02855 206 207 208 209 210 V V V V V Eigenvalues -- 1.37724 1.41036 1.41798 1.44717 1.46826 1 1 C 1S 0.03738 -0.04265 0.00139 0.01923 0.05441 2 2S 0.58575 -0.67818 0.08822 0.25279 0.58463 3 2PX 0.09268 0.00912 0.02983 -0.02056 -0.04600 4 2PY -0.00583 -0.07881 0.01107 0.06308 0.00928 5 2PZ -0.03076 0.02613 -0.03095 -0.05928 0.04934 6 3S -1.54011 2.70397 -0.18311 -1.08935 -2.89277 7 3PX -0.39352 0.85532 -0.13606 -0.53764 0.08131 8 3PY 0.40996 0.10713 0.02621 0.37832 -0.73138 9 3PZ 0.05981 0.06420 -0.08177 0.12528 0.42022 10 4XX 0.00572 0.00767 -0.10108 -0.03801 0.04471 11 4YY -0.05595 0.06811 0.02247 -0.05674 -0.06755 12 4ZZ 0.10333 -0.11115 0.09197 0.11455 0.03612 13 4XY 0.10203 -0.11847 -0.02965 0.04696 -0.02372 14 4XZ 0.12724 -0.13624 -0.13745 -0.11535 -0.08351 15 4YZ -0.00403 0.01762 -0.07938 -0.06587 0.07753 16 2 C 1S 0.00456 -0.02645 0.01649 0.02173 -0.08583 17 2S -0.01832 -0.32456 0.30077 0.18137 -0.96859 18 2PX -0.00068 -0.05720 0.05346 -0.05683 -0.04517 19 2PY 0.00610 0.02597 -0.02395 -0.04106 -0.03897 20 2PZ 0.00129 -0.00249 -0.01650 0.02313 0.00546 21 3S -0.02052 0.79066 -0.86493 -1.00247 3.64242 22 3PX 0.10253 0.27867 -0.25391 -0.03595 0.42738 23 3PY -0.26463 -0.07349 -0.12590 -0.51408 0.26561 24 3PZ -0.05480 -0.40201 0.19818 -0.06222 0.55972 25 4XX -0.03420 -0.01084 0.03734 0.05034 -0.03183 26 4YY 0.15465 -0.10859 -0.07877 0.12330 -0.06857 27 4ZZ -0.11128 0.07737 0.04938 -0.15629 0.03802 28 4XY -0.10255 0.07617 0.02473 -0.05313 0.00408 29 4XZ 0.05206 -0.05521 0.08905 0.15042 -0.10347 30 4YZ -0.00075 0.01342 0.02333 0.10853 -0.01134 31 3 C 1S -0.01317 0.02807 -0.02951 -0.06163 0.02699 32 2S -0.28778 0.43073 -0.25385 -0.70631 0.23754 33 2PX -0.03782 0.07799 -0.00867 0.00621 0.01576 34 2PY -0.00193 -0.03991 -0.00712 0.01154 0.10362 35 2PZ -0.06219 0.06729 0.02363 0.02248 -0.07666 36 3S 0.74688 -1.13073 1.08760 2.66142 -1.49991 37 3PX 0.11367 -0.14849 -0.10663 0.17609 0.53423 38 3PY 0.00428 0.19871 -0.16307 -0.31344 0.30442 39 3PZ 0.27568 -0.11402 -0.20831 -0.12524 0.03445 40 4XX 0.04133 0.01010 -0.02634 -0.03805 -0.03588 41 4YY -0.15184 0.01592 0.00512 -0.19880 0.11340 42 4ZZ 0.08937 0.00796 -0.00602 0.17046 -0.06206 43 4XY 0.06250 0.02616 -0.02797 0.07981 -0.09997 44 4XZ -0.08420 0.02194 0.03151 -0.25376 0.04966 45 4YZ 0.00525 0.02012 0.00878 -0.02424 0.04011 46 4 C 1S -0.01152 0.00956 0.00690 -0.00151 0.01250 47 2S -0.23916 0.34247 0.11061 -0.10886 0.39550 48 2PX -0.00161 -0.10208 0.06145 -0.00410 0.06136 49 2PY 0.00893 -0.05553 -0.02911 0.07290 -0.02957 50 2PZ -0.06486 0.11069 -0.06862 0.06000 0.11603 51 3S 0.15623 -0.60359 -0.60257 0.24606 -0.23581 52 3PX 0.25942 -0.13685 -0.03819 1.14553 -0.06047 53 3PY -0.23620 0.48021 -0.12868 -0.63457 0.07979 54 3PZ 0.01516 -0.36584 0.11553 0.23042 0.08610 55 4XX 0.04438 -0.02844 -0.02102 -0.03904 -0.00877 56 4YY 0.03783 0.08582 -0.09011 0.04037 -0.04011 57 4ZZ -0.11203 -0.04888 0.09631 -0.01792 0.08635 58 4XY -0.03615 -0.08180 0.02547 -0.07695 0.06150 59 4XZ 0.12185 0.01949 -0.02017 0.14591 -0.11034 60 4YZ 0.07824 0.03026 -0.01600 -0.01585 -0.07891 61 5 C 1S 0.01367 0.00681 -0.00630 0.04929 0.06166 62 2S 0.31026 0.22464 -0.01950 0.61775 1.01735 63 2PX 0.21418 0.08566 -0.00695 0.04277 -0.02200 64 2PY -0.04448 -0.02938 -0.04697 0.07110 0.06854 65 2PZ -0.01251 0.07784 0.00874 -0.00128 0.01175 66 3S -0.60697 -0.01975 0.24603 -1.49525 -3.06388 67 3PX -0.47370 -0.60452 -0.58236 -0.71846 0.07621 68 3PY 0.64852 -0.17285 0.44979 -1.53294 -0.66076 69 3PZ 0.16898 -1.08113 0.48636 0.18251 -0.80551 70 4XX -0.12650 -0.03813 0.06638 0.04236 -0.06309 71 4YY -0.00291 0.01601 -0.01699 0.15770 0.14580 72 4ZZ 0.15189 0.03173 -0.05281 -0.15876 -0.04101 73 4XY -0.02227 0.00938 0.00294 -0.05239 -0.09752 74 4XZ -0.10669 -0.04033 0.10277 0.19159 -0.04153 75 4YZ 0.02270 0.00340 0.02377 0.00756 0.01792 76 6 C 1S -0.04866 0.04073 0.01681 0.01560 0.01767 77 2S -0.53810 0.56105 0.29951 0.50056 0.53818 78 2PX -0.05131 -0.08257 0.09973 0.13441 0.15171 79 2PY 0.12008 -0.03511 -0.03725 0.14626 -0.01494 80 2PZ 0.02979 0.01193 -0.14511 -0.08488 -0.08461 81 3S 2.96970 -2.04549 0.03713 -1.06136 -0.44798 82 3PX 0.50021 1.53872 -0.26994 -1.59681 -0.95217 83 3PY -1.16829 -0.18251 -0.38358 -0.58715 1.30542 84 3PZ 0.02282 0.09452 0.78354 0.81583 0.05375 85 4XX -0.11867 0.11599 -0.02962 0.05625 0.12427 86 4YY -0.02874 -0.04771 -0.06335 -0.09727 -0.05485 87 4ZZ 0.16481 -0.09888 0.11557 0.05956 -0.04834 88 4XY 0.03432 -0.02145 -0.04372 0.02804 0.00602 89 4XZ -0.09508 0.09132 0.17410 -0.02333 0.09969 90 4YZ 0.11167 -0.09718 -0.23697 -0.11958 0.02391 91 7 C 1S 0.02446 0.02303 0.07270 0.00849 -0.00850 92 2S 0.42038 0.48822 0.92423 -0.03159 -0.16419 93 2PX 0.16578 -0.01460 0.10297 -0.08298 0.08062 94 2PY -0.00606 -0.01586 0.00162 0.00024 0.10510 95 2PZ -0.07415 -0.10242 -0.10729 0.04830 0.01905 96 3S -2.15991 -1.37879 -2.40181 -0.47610 1.62872 97 3PX -0.37424 -0.55066 0.45201 0.63932 -0.26212 98 3PY -0.88695 -0.04057 -0.11444 0.41613 0.37149 99 3PZ 0.62911 0.73486 0.59731 -0.74714 -0.48786 100 4XX 0.11277 -0.04578 0.03775 0.04073 -0.09529 101 4YY -0.13156 0.16535 0.18489 -0.03068 0.05509 102 4ZZ 0.03401 -0.12514 -0.17545 -0.00331 0.07972 103 4XY 0.02164 0.11263 0.00410 -0.00051 0.01851 104 4XZ 0.04780 0.08226 -0.05349 -0.04777 0.06855 105 4YZ 0.00464 -0.03751 0.09537 0.06345 0.09875 106 8 C 1S 0.00735 -0.01791 0.04638 -0.01676 0.00697 107 2S -0.03558 -0.23852 0.77783 -0.28710 0.19395 108 2PX -0.03949 -0.12863 -0.03149 0.10222 0.00845 109 2PY -0.02866 -0.01762 0.05056 -0.02027 -0.02887 110 2PZ 0.04934 0.02503 -0.14650 -0.06293 -0.00976 111 3S -0.07560 0.98555 -2.04735 0.50304 -0.85426 112 3PX -0.33942 0.02846 -0.58410 -0.41819 -0.17681 113 3PY -0.11784 -0.20358 -0.41182 0.27758 -0.18898 114 3PZ -0.33516 -0.38269 0.51606 0.84272 0.11922 115 4XX 0.02947 -0.00615 0.02713 0.02966 -0.05365 116 4YY -0.04407 -0.00687 0.07644 -0.04303 -0.00184 117 4ZZ 0.01500 0.01064 -0.05743 -0.00357 0.05380 118 4XY -0.10571 -0.06889 -0.01479 -0.00908 -0.01269 119 4XZ 0.02179 -0.06184 0.08178 -0.01685 -0.07564 120 4YZ -0.07990 -0.08275 0.02711 0.09801 -0.00194 121 9 C 1S -0.03491 0.00081 -0.05211 -0.00580 -0.00812 122 2S -0.54594 -0.06566 -0.81853 0.21367 -0.20450 123 2PX 0.14990 0.07274 0.02802 -0.05039 0.10521 124 2PY -0.02302 -0.07368 -0.01006 0.10019 0.01117 125 2PZ -0.04030 -0.02391 0.06773 0.01615 -0.01597 126 3S 1.11518 -0.44896 2.37238 0.02510 0.34013 127 3PX -0.29498 -0.50026 -0.28723 0.79628 -0.42812 128 3PY -0.27200 0.13704 -0.39655 -0.86477 -0.19266 129 3PZ 0.49294 0.37542 0.07241 -0.59111 0.47015 130 4XX 0.09220 0.08389 -0.08971 -0.09324 -0.00683 131 4YY -0.04693 -0.05271 0.02975 0.08017 0.00665 132 4ZZ -0.09507 -0.05400 -0.00293 0.01645 -0.00648 133 4XY -0.01561 0.03842 -0.04229 -0.01850 0.02026 134 4XZ 0.07440 0.04877 -0.05371 0.01213 0.01145 135 4YZ 0.03232 -0.00491 0.02282 0.06202 0.04617 136 10 C 1S -0.00037 -0.01077 -0.03337 -0.00273 -0.02469 137 2S -0.10405 -0.08943 -0.75099 0.12666 -0.38616 138 2PX -0.21668 -0.20481 0.10281 -0.07026 0.08825 139 2PY 0.03158 -0.03151 0.05468 0.08095 0.03858 140 2PZ -0.10557 0.06611 -0.11847 -0.05499 0.02858 141 3S 0.19036 0.56378 1.28485 0.22704 0.86789 142 3PX 0.24468 1.08434 -1.11290 -0.20855 -0.52534 143 3PY -0.17465 0.16171 -0.16677 0.00689 -0.26406 144 3PZ 0.54725 0.01894 -0.00473 0.69942 0.13524 145 4XX -0.11756 -0.08504 -0.03642 -0.04223 0.06571 146 4YY 0.12115 0.06399 -0.02987 -0.13715 -0.07198 147 4ZZ -0.00818 0.01353 0.00602 0.18371 -0.02427 148 4XY 0.01191 -0.04223 -0.00103 0.05175 0.06261 149 4XZ -0.02360 -0.04585 0.01660 -0.15382 0.03704 150 4YZ 0.03034 0.02263 0.04021 -0.00200 -0.00472 151 11 C 1S -0.03516 0.00972 -0.04569 -0.00248 -0.01347 152 2S -0.59870 0.04021 -0.59812 -0.13565 -0.27767 153 2PX 0.03355 0.08714 0.01663 0.03511 0.08870 154 2PY 0.02198 0.03833 0.03179 0.02853 0.00478 155 2PZ -0.05183 -0.00077 0.00378 -0.01449 -0.04224 156 3S 1.63774 -0.90228 2.10562 -0.01684 0.64603 157 3PX 0.01147 -0.36109 0.50990 -0.70760 -0.31592 158 3PY -0.11263 0.15931 -0.26771 0.14329 -0.01209 159 3PZ -0.15793 -0.21845 -0.10166 0.17407 0.19313 160 4XX 0.07048 0.12259 0.00588 0.03142 0.01376 161 4YY -0.21209 -0.11750 -0.01100 0.07253 -0.06594 162 4ZZ 0.08907 -0.01151 -0.02818 -0.11820 0.02940 163 4XY 0.07201 0.02965 -0.01798 0.03262 0.05725 164 4XZ -0.03790 0.05110 0.05095 0.11438 -0.02003 165 4YZ -0.03493 0.05080 -0.00761 0.02387 -0.01063 166 12 H 1S -0.11215 -0.01258 -0.15821 -0.00141 -0.05662 167 2S -0.24696 0.02220 -0.16150 -0.25264 -0.03322 168 13 H 1S -0.06704 0.07723 -0.19082 -0.04032 -0.06490 169 2S -0.21113 0.13498 -0.14858 -0.03939 -0.12836 170 14 C 1S 0.00458 -0.01480 0.03591 -0.03176 -0.01306 171 2S 0.03799 -0.11309 0.45677 -0.43074 -0.13402 172 2PX 0.01823 -0.02722 0.04782 0.04835 -0.01006 173 2PY -0.02920 -0.06467 0.01071 0.06777 -0.02742 174 2PZ 0.02308 0.00741 -0.00239 -0.04878 0.00193 175 3S -0.15335 0.91763 -1.81491 1.12830 0.63251 176 3PX 0.46429 0.27759 0.18257 -0.53535 0.11889 177 3PY -0.31827 0.27626 -0.41886 0.08913 -0.09198 178 3PZ 0.06857 0.33605 -0.17320 0.10599 0.09939 179 4XX -0.10484 -0.10448 -0.00788 -0.10031 -0.07614 180 4YY 0.14836 0.09788 -0.02020 0.10129 0.09786 181 4ZZ -0.03703 0.00581 0.06462 -0.03822 -0.03065 182 4XY -0.05052 -0.04234 0.04491 -0.02179 -0.03170 183 4XZ -0.01672 -0.09476 -0.02660 -0.06066 0.00023 184 4YZ 0.00749 0.01588 -0.06089 0.01650 0.00599 185 15 H 1S 0.01441 -0.16257 0.17859 -0.09498 -0.04244 186 2S -0.00333 -0.21485 0.23427 0.05882 -0.07143 187 16 H 1S 0.03640 0.00476 0.04208 -0.13498 -0.04985 188 2S -0.00891 0.13718 0.18452 -0.10701 -0.01267 189 17 C 1S 0.02697 0.02535 0.01541 -0.01646 0.02491 190 2S 0.41137 0.40014 0.25162 -0.26710 0.29042 191 2PX -0.01389 0.03023 -0.09116 0.03189 0.03604 192 2PY -0.00235 -0.00460 0.04859 -0.03803 -0.02032 193 2PZ 0.02021 -0.00332 0.01392 0.02501 -0.01246 194 3S -1.26674 -1.49238 -0.40536 0.86394 -1.26808 195 3PX 0.09595 0.10268 0.21779 -0.17630 0.08241 196 3PY 0.03722 -0.02445 0.21831 -0.12127 0.22057 197 3PZ 0.16206 0.02696 -0.27509 0.00837 0.15787 198 4XX 0.17061 0.19152 -0.00214 0.03634 0.05598 199 4YY -0.11999 -0.15941 0.08355 -0.14051 -0.06316 200 4ZZ -0.00576 -0.00051 -0.05293 0.09161 0.02869 201 4XY -0.00477 0.01559 -0.02455 0.03570 -0.01627 202 4XZ 0.06025 0.06980 0.03398 -0.03803 0.02292 203 4YZ 0.01540 0.03696 -0.00738 -0.03316 0.00722 204 18 C 1S 0.00842 -0.01376 -0.01698 0.03211 -0.02554 205 2S 0.14938 -0.08507 -0.31559 0.43012 -0.24879 206 2PX -0.00579 -0.06983 0.12882 0.03092 0.01016 207 2PY 0.03312 -0.02532 0.06371 0.04586 0.00098 208 2PZ -0.03297 -0.00077 -0.05797 -0.03248 -0.02790 209 3S -0.07712 0.93293 0.60759 -1.86087 1.11339 210 3PX 0.38286 0.23919 0.17270 0.27583 0.13350 211 3PY 0.07681 0.33446 -0.11244 -0.41591 0.23491 212 3PZ -0.20323 0.05428 0.00182 0.13556 -0.11197 213 4XX -0.11515 -0.18390 0.08315 0.05886 -0.02137 214 4YY 0.10126 0.18024 -0.14765 0.06139 0.00473 215 4ZZ 0.03750 0.01274 0.02617 -0.08888 -0.00058 216 4XY -0.04794 -0.08157 0.05710 0.03893 -0.01501 217 4XZ -0.07966 -0.08695 0.00860 0.11672 0.01116 218 4YZ 0.00543 0.00330 -0.00371 0.00534 -0.00735 219 19 H 1S 0.01758 -0.01330 -0.04228 0.12760 -0.13053 220 2S -0.00026 0.04025 -0.12637 0.16300 -0.00625 221 20 H 1S 0.01541 -0.10463 -0.09341 0.05541 -0.08856 222 2S 0.02872 -0.05919 -0.10844 0.00451 -0.08634 223 21 H 1S 0.03003 0.07039 0.06560 -0.04933 0.02526 224 2S 0.16018 0.16388 0.11863 -0.05923 0.06173 225 22 H 1S 0.09938 0.07232 0.04758 -0.07827 0.12867 226 2S 0.09514 0.15357 -0.09391 -0.04919 0.17836 227 23 H 1S 0.03658 0.08046 -0.17464 0.07380 -0.11602 228 2S 0.20644 -0.26947 -0.57090 0.08301 -0.13848 229 24 H 1S -0.16539 0.00043 -0.19961 0.11885 -0.07841 230 2S -0.22439 -0.11350 -0.14187 0.25375 -0.17023 231 25 H 1S -0.01824 -0.12539 0.20654 0.07873 -0.01933 232 2S 0.00232 -0.27030 0.18801 0.11854 0.19863 233 26 H 1S 0.08426 -0.03039 0.15815 -0.22537 0.01946 234 2S 0.08396 -0.00421 0.00062 -0.35664 0.05954 235 27 H 1S -0.02329 -0.04755 0.28900 0.24513 0.02531 236 2S -0.22091 -0.20599 0.09364 0.42908 -0.07101 237 28 Br 1S 0.00600 -0.03017 -0.00424 -0.00487 0.02810 238 2S -0.03181 0.15073 0.01885 0.02071 -0.14089 239 3S 0.01770 -0.06699 0.00003 0.00190 0.06416 240 4S 0.12824 -0.62437 -0.09907 -0.10965 0.58339 241 5S 0.24873 -0.95848 -1.14617 -0.37988 0.43251 242 6S -0.98835 4.70282 3.15343 1.20928 -3.24019 243 7PX 0.00655 -0.00479 -0.00083 -0.00094 0.00123 244 7PY -0.00332 -0.00458 -0.00316 -0.00268 0.01021 245 7PZ 0.00113 0.00290 0.00499 -0.00582 0.00307 246 8PX -0.02152 0.01601 0.00315 0.00306 -0.00423 247 8PY 0.01041 0.01580 0.01120 0.00935 -0.03349 248 8PZ -0.00432 -0.00877 -0.01519 0.01969 -0.01047 249 9PX 0.08067 -0.08216 -0.04574 -0.01063 0.02923 250 9PY -0.00723 -0.11503 -0.10230 -0.06781 0.12514 251 9PZ 0.04654 -0.03005 -0.03865 -0.10875 0.06423 252 10PX 0.01268 0.26532 0.31385 -0.02627 -0.12916 253 10PY -0.20103 0.48141 0.51459 0.19610 -0.07104 254 10PZ -0.07744 0.63318 0.88503 0.17784 -0.28389 255 11XX -0.02851 0.03593 0.02589 0.01344 -0.02245 256 11YY 0.01248 0.01751 0.00556 -0.01643 -0.03312 257 11ZZ -0.00535 0.00346 -0.03471 -0.00626 0.00069 258 11XY -0.00170 -0.00971 -0.00785 0.00085 0.00286 259 11XZ -0.00597 -0.01861 -0.02757 0.00330 0.01201 260 11YZ 0.01994 -0.03475 -0.03828 -0.01340 -0.00561 261 12XX 0.45419 -1.55957 -0.79642 -0.46708 1.21846 262 12YY 0.14993 -1.43789 -0.65535 -0.26155 1.32632 263 12ZZ 0.33242 -1.26946 -0.28332 -0.35252 1.04366 264 12XY 0.02247 0.04800 0.06780 -0.00051 -0.01780 265 12XZ 0.07742 0.14203 0.21507 -0.03001 -0.08875 266 12YZ -0.14435 0.25787 0.28543 0.07379 0.05211 267 29 C 1S 0.03416 -0.03041 0.03431 -0.05073 -0.05021 268 2S 0.47951 -0.37647 0.51826 -0.52062 -0.52432 269 2PX 0.10308 0.08704 0.03682 -0.02401 0.05644 270 2PY -0.04554 -0.05517 -0.04627 0.00376 -0.06372 271 2PZ -0.07381 0.02353 -0.02774 -0.04328 -0.02852 272 3S -1.20573 1.51375 -1.55704 2.08608 2.38751 273 3PX -0.08336 -0.13646 -0.03600 -0.01670 -0.22010 274 3PY -0.01401 -0.11718 0.20642 -0.20481 -0.24571 275 3PZ 0.26405 -0.35793 0.25351 -0.49186 -0.69154 276 4XX 0.06190 0.04147 -0.03144 0.05579 0.03219 277 4YY 0.04617 -0.07613 0.05093 -0.17441 -0.15673 278 4ZZ -0.07373 0.00128 0.01296 0.07177 0.09640 279 4XY 0.05226 0.05010 -0.03139 0.00326 0.05361 280 4XZ 0.25528 0.10470 -0.02915 -0.02422 0.00430 281 4YZ 0.09511 0.01960 -0.00680 -0.00490 0.00011 282 30 H 1S 0.21858 -0.06935 0.08228 -0.21788 -0.18478 283 2S 0.00740 -0.22132 0.11751 -0.14063 -0.21718 284 31 H 1S 0.08987 -0.10222 0.12351 -0.15197 -0.16207 285 2S 0.09086 -0.05126 0.15965 -0.12193 -0.03879 286 32 H 1S 0.11160 -0.10663 0.13413 -0.10298 -0.17924 287 2S 0.29266 -0.14429 0.23095 -0.25799 -0.19143 288 33 H 1S -0.07586 0.07550 0.03115 -0.01743 0.04456 289 2S 0.01803 -0.02844 0.08495 -0.21659 0.12799 290 34 H 1S -0.01575 0.06622 0.09556 0.04335 0.02816 291 2S 0.00671 -0.17660 0.18961 0.02134 -0.01703 292 35 H 1S -0.07082 0.08808 -0.07409 -0.19058 0.06197 293 2S -0.21639 0.16883 -0.02164 -0.15474 -0.00205 294 36 H 1S 0.00529 0.10070 -0.17570 -0.21261 0.14184 295 2S 0.05555 -0.03405 -0.15988 -0.17845 0.25426 296 37 H 1S -0.02503 -0.16111 0.09559 -0.00846 -0.24484 297 2S -0.02249 -0.34198 0.06205 -0.09306 -0.07511 298 38 H 1S 0.07131 0.00539 0.05236 0.12741 -0.40351 299 2S 0.02219 0.10335 -0.01892 0.14419 -0.27319 300 39 H 1S 0.08291 -0.21457 -0.00641 0.01800 0.26331 301 2S 0.13754 -0.34015 0.00721 -0.06786 0.15078 302 40 H 1S 0.16656 -0.07554 -0.02207 0.11213 0.16753 303 2S 0.26355 -0.16434 -0.01936 -0.01830 0.13701 211 212 213 214 215 V V V V V Eigenvalues -- 1.46959 1.50386 1.51207 1.54115 1.56761 1 1 C 1S 0.02063 0.03121 -0.04373 -0.03209 0.01285 2 2S 0.19256 0.21884 -0.38455 -0.40596 0.05383 3 2PX 0.05714 -0.12134 0.07408 -0.12866 -0.09832 4 2PY -0.07312 0.04451 0.04090 0.08281 0.00672 5 2PZ 0.00296 -0.04499 -0.01175 -0.05075 -0.05502 6 3S -0.43154 -2.06625 2.05389 1.42103 -1.00130 7 3PX 0.57446 -0.62573 0.03908 -0.02764 -0.29284 8 3PY 0.08935 -0.57672 -0.48765 -0.12362 0.52335 9 3PZ 0.62312 0.23463 -0.38988 -0.30231 0.33220 10 4XX 0.07602 0.06811 -0.04827 0.18578 0.12286 11 4YY -0.05704 0.03090 0.02881 -0.01364 -0.08724 12 4ZZ -0.01699 -0.09229 -0.00209 -0.19885 -0.02643 13 4XY 0.00629 -0.03850 -0.02578 -0.02565 0.06108 14 4XZ 0.07903 0.10137 0.03882 0.01198 0.17276 15 4YZ 0.03944 0.03760 -0.04671 0.13584 0.06423 16 2 C 1S -0.05539 -0.01813 0.02376 0.01899 0.01168 17 2S -0.72890 -0.13648 0.21487 0.27347 0.21737 18 2PX -0.02721 0.08239 -0.10738 -0.02762 0.12216 19 2PY 0.03839 -0.04002 0.03300 -0.08358 -0.00469 20 2PZ -0.00377 -0.02203 -0.06407 0.04985 0.00811 21 3S 2.54838 1.20401 -1.31538 -1.01054 -0.15137 22 3PX 0.39704 -0.04427 -0.00397 0.07948 -0.28797 23 3PY -0.19826 0.51906 0.23375 0.36527 0.02411 24 3PZ -0.02614 0.31620 0.02366 -0.40589 -0.12288 25 4XX -0.14936 0.10088 0.17265 0.12740 -0.09179 26 4YY 0.13893 -0.12983 -0.11232 -0.14823 0.12281 27 4ZZ -0.03507 0.03851 -0.04564 0.02923 -0.01506 28 4XY -0.09771 0.08196 0.04967 0.24913 -0.03595 29 4XZ -0.07261 0.02880 0.18823 -0.11756 -0.08286 30 4YZ -0.02825 -0.00322 0.11193 0.04531 -0.03811 31 3 C 1S 0.02157 0.05223 -0.02982 0.03225 0.01778 32 2S 0.23422 0.49917 -0.25369 0.28324 0.21592 33 2PX 0.05195 -0.06943 -0.01678 0.04757 -0.02359 34 2PY 0.00428 0.06118 0.04549 0.05061 -0.00089 35 2PZ 0.01694 -0.04665 0.02644 -0.03522 -0.00798 36 3S -0.78769 -2.47674 1.07147 -1.27696 -1.00142 37 3PX 0.42727 -0.29906 0.06436 -0.58169 -0.26149 38 3PY 0.36878 0.00859 -0.40271 -0.05440 0.12272 39 3PZ -0.04331 0.06165 -0.40135 0.27515 0.22414 40 4XX 0.06657 -0.10666 -0.20247 -0.18940 -0.02481 41 4YY -0.12622 0.18763 0.18299 0.15526 -0.04157 42 4ZZ 0.07082 -0.04029 0.00693 0.05688 0.07138 43 4XY 0.04110 -0.14741 -0.25159 0.05905 0.05552 44 4XZ -0.05794 -0.03108 -0.15792 -0.14668 -0.02596 45 4YZ 0.06521 -0.03993 -0.07621 -0.11143 0.01035 46 4 C 1S 0.02228 -0.05816 0.00996 -0.05232 -0.02812 47 2S 0.40524 -0.76021 0.27230 -0.73707 -0.42629 48 2PX -0.02303 -0.01860 0.02128 -0.18419 0.08105 49 2PY -0.06803 -0.06088 -0.07764 0.10213 -0.07484 50 2PZ 0.11927 -0.07485 0.01579 -0.09173 -0.02634 51 3S -0.44956 2.89300 -0.68834 2.18519 2.27652 52 3PX 0.26180 -0.18421 0.59488 -0.01124 -0.35571 53 3PY -0.20256 0.64244 0.63391 0.13637 -0.27176 54 3PZ -0.17564 0.74751 0.47285 0.34472 0.50327 55 4XX 0.05866 0.10177 0.10326 -0.09664 0.00841 56 4YY -0.02835 -0.16320 -0.24198 0.14871 -0.16383 57 4ZZ 0.00207 0.02562 0.14963 -0.09045 0.16144 58 4XY -0.02757 0.09831 0.19113 -0.12450 0.04752 59 4XZ 0.05742 0.10003 0.09861 0.18314 0.12861 60 4YZ 0.00738 0.01549 0.01824 -0.03122 -0.01808 61 5 C 1S 0.03978 0.00807 0.02422 0.00223 0.00150 62 2S 0.52167 0.07645 0.32362 -0.01291 -0.07042 63 2PX -0.00179 0.06005 0.12179 0.03124 -0.19683 64 2PY 0.02135 0.13718 0.17302 -0.08354 0.00695 65 2PZ -0.09574 0.05300 0.03447 0.16812 -0.06127 66 3S -2.10035 -0.37414 -1.19273 -0.03583 0.25392 67 3PX -0.41642 0.72189 -0.48949 0.12260 0.78983 68 3PY 0.13574 -1.21800 -1.05766 -0.40790 -0.88158 69 3PZ 0.31014 0.09302 -0.60347 -0.22735 1.64144 70 4XX 0.00000 -0.10348 0.09143 -0.03919 -0.06852 71 4YY 0.03957 0.09109 -0.00391 0.01749 0.16535 72 4ZZ -0.01335 0.00846 -0.07754 0.03390 -0.09934 73 4XY 0.01541 0.00134 0.07917 -0.10271 -0.16175 74 4XZ -0.05435 -0.10191 0.05421 0.10906 0.02220 75 4YZ -0.09693 -0.09208 0.04888 -0.06348 -0.04639 76 6 C 1S 0.01406 0.00903 0.01953 0.01688 0.00697 77 2S 0.27155 0.14286 0.34958 0.09235 0.26869 78 2PX -0.09285 0.18210 -0.08388 0.11519 0.29402 79 2PY 0.01668 -0.19194 -0.06055 0.03551 -0.07365 80 2PZ 0.14216 -0.02033 0.13193 -0.09444 -0.02015 81 3S -0.57865 -0.94579 -1.43378 -0.72470 -0.50024 82 3PX 0.72362 -2.31457 0.80035 -0.08385 -1.96587 83 3PY -0.05208 1.93643 0.27238 0.01827 0.06581 84 3PZ -0.82144 0.11173 -0.27647 0.30095 -0.15489 85 4XX 0.03934 0.06378 -0.15425 0.15050 0.04299 86 4YY -0.10758 -0.02302 -0.02294 -0.09130 -0.09748 87 4ZZ 0.06979 -0.06659 0.16360 -0.06874 0.05077 88 4XY 0.04370 0.04541 -0.02560 -0.16360 -0.01189 89 4XZ -0.16255 -0.18221 -0.24133 0.00641 -0.00864 90 4YZ -0.05163 -0.05437 -0.17551 0.02751 0.03492 91 7 C 1S -0.02155 -0.04266 0.00852 0.00174 -0.00770 92 2S -0.19187 -0.62275 0.17832 0.13486 0.12651 93 2PX 0.02096 -0.18985 0.02609 0.06023 0.00435 94 2PY 0.02784 0.09884 0.02767 0.01560 0.09555 95 2PZ 0.01026 0.06689 -0.02894 0.03967 -0.07742 96 3S 0.59668 3.21521 -0.11040 0.15167 0.46508 97 3PX -0.34512 0.96468 -0.44573 -0.05515 0.41220 98 3PY -0.06721 0.89641 0.00421 0.05623 0.15007 99 3PZ 0.28142 -0.97543 0.09207 -0.14205 0.32851 100 4XX 0.07384 0.05675 -0.07059 -0.19208 0.04488 101 4YY -0.04903 -0.09647 0.02765 0.09955 0.05457 102 4ZZ -0.02829 0.03741 0.05937 0.11607 -0.10480 103 4XY -0.04751 -0.03573 -0.04751 0.01618 0.18263 104 4XZ -0.21037 -0.09451 -0.01572 -0.02887 0.01492 105 4YZ 0.11405 0.01876 0.03594 -0.05743 0.13120 106 8 C 1S 0.00848 0.02485 -0.01752 0.00859 0.00625 107 2S 0.22553 0.36057 -0.26877 0.35038 0.01432 108 2PX 0.07311 0.18933 -0.06616 -0.12862 0.03276 109 2PY 0.00671 0.03958 -0.07560 0.00546 -0.04314 110 2PZ -0.04619 -0.08563 0.06837 -0.03173 0.02133 111 3S -0.31320 -1.54466 0.60485 -1.04772 -0.49377 112 3PX -0.08668 0.21516 -0.02313 -0.11646 0.02635 113 3PY 0.11723 0.07472 0.07796 -0.17846 -0.05558 114 3PZ 0.26548 0.87892 -0.14869 0.20948 -0.06657 115 4XX -0.07976 0.07526 -0.08758 -0.11937 -0.13342 116 4YY 0.12476 -0.05769 0.02585 0.07268 0.13222 117 4ZZ -0.02757 0.00137 0.05898 0.04657 0.01271 118 4XY -0.01682 -0.04676 -0.06368 0.08836 -0.22892 119 4XZ 0.23316 -0.00191 -0.06030 -0.01402 0.06333 120 4YZ 0.00924 0.12623 -0.08940 0.01991 -0.20494 121 9 C 1S -0.00562 0.01367 -0.00073 -0.01924 -0.01522 122 2S -0.02741 0.22113 0.02791 -0.24496 0.00806 123 2PX -0.04885 -0.08237 0.06083 0.03691 -0.13760 124 2PY -0.00126 -0.14558 0.10307 0.14526 0.10175 125 2PZ 0.09267 0.11817 -0.01242 -0.03966 -0.03891 126 3S 0.34045 -0.59391 0.09320 1.06073 0.83410 127 3PX -0.04278 0.21270 -0.39860 -0.04740 0.26240 128 3PY 0.05297 -0.20763 -0.19404 -0.69193 -0.25712 129 3PZ -0.56507 -0.36669 -0.17493 0.01391 0.03478 130 4XX 0.01270 -0.16354 0.10298 0.09395 0.19530 131 4YY -0.16146 0.23821 -0.13991 -0.15711 -0.23841 132 4ZZ 0.14609 -0.05770 0.04187 0.05696 0.03097 133 4XY -0.01927 -0.15065 0.10488 0.06214 0.05086 134 4XZ 0.03880 0.05156 0.07975 -0.03766 0.01562 135 4YZ 0.00968 0.00602 0.02185 0.06327 0.02628 136 10 C 1S -0.00791 -0.00875 0.00427 0.01010 -0.02038 137 2S 0.02158 -0.27946 0.18927 0.25777 -0.21593 138 2PX -0.03110 0.02710 -0.07646 -0.07564 0.20116 139 2PY -0.01557 0.04851 -0.06964 -0.00635 -0.17181 140 2PZ 0.01903 -0.18193 0.11633 -0.03780 0.09840 141 3S 0.50965 0.11873 -0.19938 -0.89938 0.52962 142 3PX -0.54148 0.22717 0.44241 0.20076 -0.64054 143 3PY 0.73144 -0.21340 0.73385 0.02297 0.57248 144 3PZ -0.02456 0.53578 -0.29329 0.40948 -1.11719 145 4XX -0.10971 -0.08012 0.02673 -0.12044 0.16728 146 4YY 0.16914 -0.00971 0.10012 0.05360 -0.20156 147 4ZZ -0.06132 0.07949 -0.11972 0.05621 0.00326 148 4XY -0.11457 -0.00928 -0.02683 0.00875 0.07912 149 4XZ -0.03171 0.05682 0.06419 -0.13180 0.03106 150 4YZ 0.02449 -0.06869 0.08000 0.05603 0.00223 151 11 C 1S -0.02415 0.01217 -0.00571 -0.03589 0.02288 152 2S -0.21268 0.14287 -0.10519 -0.41187 0.12774 153 2PX 0.04803 -0.01089 0.03846 0.01022 -0.00611 154 2PY -0.06012 -0.02162 0.01436 0.00382 0.04773 155 2PZ 0.02448 -0.01404 -0.06328 -0.02618 -0.10750 156 3S 0.97415 -0.66618 -0.23465 1.63313 -1.11866 157 3PX 0.60581 -0.41141 0.03832 0.30123 0.17425 158 3PY 0.16522 0.15964 0.22683 -0.18716 0.06645 159 3PZ -0.33647 -0.02976 0.10306 -0.13526 0.92983 160 4XX -0.02770 0.12982 -0.07842 -0.01397 -0.19660 161 4YY 0.03947 -0.10724 -0.02412 -0.02018 0.07456 162 4ZZ -0.02006 -0.01753 0.08565 0.01755 0.13986 163 4XY -0.07867 0.02524 -0.03344 0.00920 -0.01687 164 4XZ 0.01387 0.07297 -0.09064 -0.02520 -0.17443 165 4YZ 0.02316 0.01042 -0.03908 -0.03787 -0.06248 166 12 H 1S -0.10120 -0.01822 -0.03372 -0.11581 0.18271 167 2S -0.26520 0.07586 -0.02949 -0.18466 0.45501 168 13 H 1S -0.08702 0.08669 -0.01298 -0.10846 -0.06725 169 2S -0.11181 0.02255 -0.12328 -0.11984 -0.21243 170 14 C 1S 0.05049 -0.02710 -0.00926 0.04290 -0.03816 171 2S 0.51003 -0.36898 -0.13904 0.39391 -0.42212 172 2PX 0.04440 0.01963 0.01753 0.02841 -0.02082 173 2PY 0.05256 0.00221 -0.00096 0.06755 -0.01482 174 2PZ -0.03821 -0.02355 -0.00123 -0.03455 0.03358 175 3S -2.32333 1.35281 0.48924 -2.03155 1.82688 176 3PX -0.11908 -0.15330 0.05727 0.00572 -0.10467 177 3PY -0.25293 -0.06756 -0.06354 -0.20328 -0.05559 178 3PZ -0.37746 0.25938 0.06481 -0.34756 0.11491 179 4XX 0.08453 -0.10322 0.03648 -0.02334 0.12811 180 4YY -0.18970 0.10420 -0.04403 -0.01603 0.01835 181 4ZZ 0.15069 -0.01656 0.00406 0.06333 -0.17883 182 4XY 0.09826 -0.03985 0.01749 0.01837 -0.03639 183 4XZ -0.02913 -0.08645 0.01818 -0.00056 0.18720 184 4YZ -0.04745 0.00096 -0.01768 -0.03084 -0.01037 185 15 H 1S 0.24094 -0.09612 -0.05610 0.20640 -0.12344 186 2S 0.30024 -0.06511 -0.04396 0.25425 -0.15831 187 16 H 1S 0.08480 -0.09898 -0.01790 0.10247 -0.12207 188 2S 0.07258 -0.06128 -0.05353 0.01875 -0.10362 189 17 C 1S -0.04626 0.03014 0.00521 -0.04254 0.03216 190 2S -0.55196 0.23956 0.07706 -0.44600 0.37709 191 2PX -0.00458 0.05014 0.02490 -0.03079 -0.05317 192 2PY 0.02670 -0.01510 -0.02028 -0.01177 -0.03569 193 2PZ -0.00841 -0.01560 0.00589 0.02306 0.02861 194 3S 2.15384 -1.19825 -0.41199 1.91347 -1.33368 195 3PX -0.24348 0.07310 -0.03003 -0.25666 0.33361 196 3PY 0.08589 0.17995 -0.04843 0.05070 -0.16193 197 3PZ -0.23542 0.11756 0.07540 -0.18618 0.31445 198 4XX -0.09887 0.06813 0.05857 -0.04204 -0.09778 199 4YY 0.23068 -0.08160 0.02092 0.06932 0.01909 200 4ZZ -0.17010 0.04148 -0.07843 -0.05458 0.09493 201 4XY -0.04356 0.02833 -0.00405 -0.06962 -0.00742 202 4XZ 0.01857 0.01551 0.03943 0.01398 -0.03772 203 4YZ 0.02638 -0.00439 0.03267 -0.01401 -0.03723 204 18 C 1S 0.00430 -0.02306 0.00170 0.03034 -0.00086 205 2S -0.09829 -0.27279 0.12249 0.27809 -0.10944 206 2PX 0.06588 0.04075 -0.06334 0.05046 0.10843 207 2PY 0.00073 0.05973 -0.01046 0.01929 -0.00403 208 2PZ 0.00431 -0.04921 0.00064 -0.01160 -0.00337 209 3S -0.42870 0.87867 -0.11031 -1.40006 0.13064 210 3PX -0.41251 0.28033 0.16515 -0.05358 -0.04482 211 3PY -0.30158 -0.11111 0.16745 -0.30176 0.08249 212 3PZ 0.26866 0.18464 0.11467 0.05686 -0.47425 213 4XX 0.07391 0.06668 -0.11695 0.05868 0.00061 214 4YY -0.18362 -0.11110 0.06562 -0.01354 0.08872 215 4ZZ 0.10072 0.02382 0.05928 -0.02454 -0.08756 216 4XY 0.04072 0.07880 -0.03182 -0.04416 -0.07115 217 4XZ -0.03490 0.03557 -0.06834 0.03500 0.03383 218 4YZ 0.00249 -0.05319 0.00026 0.04862 0.01505 219 19 H 1S 0.03281 -0.03736 0.02260 0.10289 -0.09108 220 2S -0.05389 -0.03719 0.13362 0.02040 -0.13164 221 20 H 1S 0.01198 -0.15047 -0.00706 0.10335 0.06407 222 2S 0.00078 -0.27373 -0.00148 0.05829 0.09501 223 21 H 1S -0.14438 0.06712 0.01024 -0.12891 0.09854 224 2S -0.12004 0.00990 0.04522 -0.06923 0.02173 225 22 H 1S -0.18277 0.13679 0.02057 -0.17214 0.13913 226 2S -0.17978 0.17499 0.06036 -0.17373 0.04711 227 23 H 1S 0.03355 -0.00197 0.05880 0.09714 -0.12667 228 2S 0.02353 0.10027 0.06837 0.26921 -0.43911 229 24 H 1S 0.03223 0.11556 0.02607 -0.03657 -0.04784 230 2S 0.10870 0.16774 0.11181 0.02629 0.01226 231 25 H 1S 0.06305 0.20515 -0.09936 0.02223 -0.03713 232 2S 0.06684 0.25817 -0.01302 0.11999 -0.02889 233 26 H 1S -0.03714 -0.06129 -0.09029 0.03288 0.01968 234 2S -0.02394 -0.13847 0.00863 0.02912 0.00002 235 27 H 1S -0.16970 0.03430 -0.01530 -0.05531 -0.03897 236 2S -0.28996 0.28620 -0.04326 0.04850 -0.04635 237 28 Br 1S -0.01138 -0.01326 0.00756 0.01171 -0.01351 238 2S 0.05489 0.06578 -0.03589 -0.05988 0.06762 239 3S -0.01794 -0.02653 0.01067 0.03010 -0.02965 240 4S -0.24316 -0.28332 0.16042 0.24537 -0.28679 241 5S -0.26371 -0.22988 0.13428 0.13283 -0.47691 242 6S 1.45865 1.49521 -0.88320 -1.22455 2.21822 243 7PX -0.00128 -0.00536 -0.00038 -0.00206 0.00016 244 7PY -0.00483 0.00022 0.00328 0.00537 -0.00401 245 7PZ -0.00590 -0.00860 0.00523 0.00152 -0.00268 246 8PX 0.00419 0.01759 0.00121 0.00693 -0.00028 247 8PY 0.01615 -0.00047 -0.01081 -0.01761 0.01356 248 8PZ 0.01991 0.02873 -0.01731 -0.00508 0.00890 249 9PX -0.01495 -0.06224 -0.00394 -0.03664 -0.01656 250 9PY -0.07279 -0.01737 0.04244 0.06471 -0.07787 251 9PZ -0.09982 -0.12663 0.07026 0.02170 -0.04946 252 10PX 0.01507 -0.08536 0.01706 0.06945 0.15012 253 10PY 0.03518 0.16959 -0.01183 -0.02281 0.22178 254 10PZ 0.11689 0.01150 -0.03580 -0.03823 0.25540 255 11XX -0.00109 0.01785 0.00144 -0.00849 0.00881 256 11YY 0.01519 -0.00553 -0.00387 -0.01504 0.00822 257 11ZZ -0.00280 0.01052 -0.00194 -0.00541 0.00871 258 11XY 0.00598 0.00199 0.00202 -0.00584 -0.01780 259 11XZ 0.00278 0.01355 0.00288 -0.00576 -0.00885 260 11YZ -0.01214 -0.01459 -0.00396 -0.00143 -0.01537 261 12XX -0.50699 -0.68307 0.33493 0.47893 -0.71335 262 12YY -0.63312 -0.47080 0.36794 0.53970 -0.69619 263 12ZZ -0.52824 -0.68443 0.36682 0.45723 -0.66737 264 12XY -0.04228 -0.01066 -0.01504 0.03401 0.12654 265 12XZ -0.01277 -0.13644 -0.00863 0.03345 0.07092 266 12YZ 0.04722 0.10132 0.04394 0.02180 0.10208 267 29 C 1S -0.04226 0.02546 -0.03264 0.01005 0.01077 268 2S -0.47998 0.45446 -0.35422 0.24165 0.21415 269 2PX 0.08221 -0.00404 0.01199 -0.00941 -0.04847 270 2PY 0.03921 0.02406 0.10079 0.00115 0.06155 271 2PZ -0.00670 -0.17048 -0.11083 -0.07938 -0.03741 272 3S 1.35595 -0.70317 1.66089 -0.31354 -0.96175 273 3PX -0.27265 -0.07563 -0.01167 0.00158 -0.13881 274 3PY -0.20489 -0.09606 -0.56200 -0.18950 0.21088 275 3PZ -0.20641 0.13798 -0.21883 0.10822 0.23927 276 4XX 0.09864 0.07218 -0.15928 0.10834 0.08298 277 4YY 0.01340 0.11772 0.31322 -0.07935 -0.07551 278 4ZZ -0.14645 -0.14610 -0.17458 -0.02196 -0.01240 279 4XY 0.02270 0.01322 -0.04805 0.03107 -0.03827 280 4XZ 0.14995 0.13462 -0.03935 0.11855 -0.06106 281 4YZ -0.00138 0.01052 0.03580 0.02106 -0.00695 282 30 H 1S -0.15765 0.04681 -0.12920 0.03787 -0.03422 283 2S -0.26866 0.16695 -0.00146 0.11637 -0.01011 284 31 H 1S -0.13526 0.08728 -0.10805 -0.02455 0.05947 285 2S -0.07852 0.00881 -0.31459 0.01219 0.12459 286 32 H 1S -0.15204 0.07068 -0.09432 0.07376 0.08720 287 2S 0.03376 0.21714 0.02410 0.13621 0.11509 288 33 H 1S 0.05899 -0.05537 0.19671 -0.12957 -0.11478 289 2S -0.08511 0.07999 0.30652 -0.08930 -0.16072 290 34 H 1S 0.10165 -0.31466 -0.12199 -0.25260 0.03066 291 2S 0.10632 -0.48450 -0.15728 -0.17885 -0.08766 292 35 H 1S 0.02741 0.18504 -0.05157 0.07330 -0.00853 293 2S 0.02248 0.16766 0.09901 0.05811 0.02805 294 36 H 1S 0.14348 0.17711 -0.21001 0.14341 0.10245 295 2S 0.08388 0.29079 -0.13895 0.12513 0.14386 296 37 H 1S -0.24886 0.04715 0.07982 0.01329 0.05067 297 2S -0.35854 0.06722 0.19488 0.15885 -0.03101 298 38 H 1S -0.13315 -0.19675 0.04417 0.08849 0.02194 299 2S -0.07235 -0.27694 0.17105 0.12446 -0.14783 300 39 H 1S -0.01771 0.22191 0.00202 -0.01382 -0.06463 301 2S -0.15378 0.05867 -0.00742 -0.09937 -0.14951 302 40 H 1S 0.20274 0.02347 -0.26479 -0.17179 0.14450 303 2S 0.13185 -0.12350 -0.33665 -0.14687 0.14274 216 217 218 219 220 V V V V V Eigenvalues -- 1.57787 1.59594 1.62394 1.62631 1.64216 1 1 C 1S -0.05016 -0.00976 0.01218 -0.00979 0.00005 2 2S -0.58683 0.01901 0.25701 0.00964 0.12610 3 2PX 0.00507 0.00673 -0.11274 0.07671 -0.01538 4 2PY 0.06087 0.06279 0.05879 -0.04311 0.09673 5 2PZ -0.01361 -0.03464 -0.05304 0.02023 -0.01970 6 3S 2.53576 0.47834 -0.88693 0.52273 -0.16021 7 3PX 0.47793 0.03311 -0.04392 0.28540 -0.17398 8 3PY -0.29577 -0.44704 0.30723 -0.55682 -0.62461 9 3PZ -0.12132 0.02343 0.14522 -0.11772 0.01005 10 4XX 0.09420 0.00865 0.14021 -0.10825 0.01630 11 4YY -0.00664 0.04019 -0.15609 0.07345 0.02398 12 4ZZ -0.10954 -0.03777 0.00910 0.03547 -0.03281 13 4XY -0.05970 0.02784 0.15672 0.01076 -0.00159 14 4XZ 0.19690 0.00912 -0.04701 -0.14854 0.04540 15 4YZ 0.07176 0.06176 0.10931 -0.03694 0.10563 16 2 C 1S 0.03810 0.02754 0.00121 -0.02161 0.01521 17 2S 0.36868 0.28082 0.08899 -0.33746 0.24248 18 2PX 0.01450 0.00880 0.01455 -0.09676 -0.01100 19 2PY -0.00652 -0.08598 -0.10717 -0.00982 -0.06481 20 2PZ 0.00154 0.04714 0.07944 -0.02449 0.04052 21 3S -1.45979 -1.01489 -0.16389 0.86623 -0.85780 22 3PX -0.26543 -0.26289 -0.10766 0.31713 -0.27419 23 3PY 0.13091 -0.00669 0.01438 0.17162 0.04260 24 3PZ -0.26115 0.11906 0.04789 0.33190 0.15832 25 4XX -0.15544 -0.00170 0.04128 0.16410 0.04799 26 4YY 0.01635 -0.02604 0.08518 -0.10932 -0.10611 27 4ZZ 0.14894 0.04893 -0.12645 -0.05352 0.07253 28 4XY 0.04381 0.09926 0.12217 0.07650 0.04538 29 4XZ -0.16935 -0.02984 -0.06005 0.15354 -0.02457 30 4YZ -0.09198 0.00251 0.07734 0.08986 0.06316 31 3 C 1S -0.01559 -0.03727 -0.01612 0.00856 -0.03789 32 2S -0.21652 -0.44341 -0.17745 0.13767 -0.59318 33 2PX 0.02537 0.04339 0.11863 0.03149 -0.06133 34 2PY -0.01521 0.02225 0.04495 0.02267 0.06667 35 2PZ 0.01080 -0.03202 -0.02930 0.02216 -0.03878 36 3S 1.13655 1.73867 0.79298 -0.50022 1.90955 37 3PX 0.24308 0.16261 0.00789 -0.07904 0.38267 38 3PY -0.07559 -0.28998 -0.13424 -0.06007 -0.50952 39 3PZ 0.26014 0.04613 -0.24441 -0.56135 0.17918 40 4XX 0.01941 -0.03567 -0.15075 -0.07740 -0.02665 41 4YY 0.02749 0.03313 0.06091 0.09484 0.11948 42 4ZZ -0.03978 -0.00635 0.08531 -0.00946 -0.09515 43 4XY 0.05856 0.09108 0.08749 -0.05345 -0.15202 44 4XZ 0.05840 0.03787 -0.12976 -0.01803 -0.01572 45 4YZ -0.00607 -0.03517 -0.08623 -0.02832 -0.02568 46 4 C 1S 0.02727 0.01767 -0.00404 -0.00932 0.02562 47 2S 0.31220 0.22529 0.05526 0.01745 0.41249 48 2PX -0.04212 -0.00074 -0.07313 -0.05937 0.06656 49 2PY 0.05662 0.04509 0.04682 -0.02439 -0.03448 50 2PZ 0.03058 0.01827 -0.05009 0.00007 0.09793 51 3S -1.28849 -0.84804 -0.26361 0.13905 -1.45493 52 3PX 0.11476 0.42194 0.49387 0.36073 0.36140 53 3PY -0.27820 -0.29970 -0.28494 0.36159 0.19980 54 3PZ -0.52063 -0.17827 0.23525 0.25402 -0.27132 55 4XX 0.02454 -0.11261 -0.18966 -0.09840 0.09487 56 4YY 0.05454 0.10820 -0.00186 0.09138 0.01239 57 4ZZ -0.07408 0.02703 0.18191 0.00473 -0.09614 58 4XY 0.00357 0.00077 0.01003 -0.04367 0.06109 59 4XZ 0.11070 0.00438 -0.02585 -0.12057 -0.06087 60 4YZ 0.00300 -0.04254 -0.13248 -0.02340 0.08892 61 5 C 1S -0.02429 0.01465 0.02930 0.00949 0.00693 62 2S -0.23056 0.21677 0.45620 0.22775 0.10291 63 2PX 0.10947 0.14813 0.04940 0.23301 -0.20068 64 2PY -0.07647 -0.05086 -0.21894 0.05086 0.02580 65 2PZ -0.10685 -0.13793 0.08430 -0.01261 -0.09441 66 3S 0.96223 -0.77994 -0.99629 -1.01019 -0.63218 67 3PX 0.26598 0.06744 -0.40558 -0.60928 0.69427 68 3PY 0.57981 0.36639 0.36122 -0.14305 0.21611 69 3PZ 0.09767 0.10662 0.07881 -0.23195 -0.50940 70 4XX -0.21357 -0.13334 0.07028 0.06163 -0.03284 71 4YY 0.05257 0.04841 -0.06151 -0.01672 -0.17219 72 4ZZ 0.14523 0.09382 0.00828 -0.07078 0.21464 73 4XY 0.13262 0.02229 -0.09935 0.07853 0.02373 74 4XZ 0.05690 0.07922 0.11611 0.06588 -0.12592 75 4YZ -0.06010 0.05613 0.04974 0.05681 0.18599 76 6 C 1S 0.03733 -0.00683 -0.01916 -0.00024 -0.00515 77 2S 0.42675 -0.02783 -0.22371 0.13807 0.16593 78 2PX 0.04656 0.02569 0.18483 -0.18408 0.10404 79 2PY -0.23038 -0.06558 0.16602 -0.08915 -0.11375 80 2PZ 0.06032 0.07421 0.03423 0.02298 0.10442 81 3S -1.74319 0.10039 1.29945 -0.49026 -0.03876 82 3PX 0.65895 0.42986 -0.46797 1.27161 -0.21342 83 3PY 0.72255 0.70343 -0.96480 0.32371 1.23390 84 3PZ -0.75028 -0.50149 -0.04626 0.09446 -0.69918 85 4XX 0.05915 -0.01889 0.08299 -0.09044 -0.04178 86 4YY -0.16607 0.03926 -0.02874 0.16829 -0.02064 87 4ZZ 0.12471 -0.02003 -0.02916 -0.09656 0.07588 88 4XY 0.10924 0.08606 -0.13703 0.05214 -0.00448 89 4XZ 0.03977 0.05258 0.04413 -0.06711 -0.00949 90 4YZ -0.13177 0.16103 0.13915 0.06578 0.21200 91 7 C 1S 0.02311 -0.01591 -0.00792 -0.00255 -0.02976 92 2S 0.28581 -0.05211 -0.18745 -0.08733 -0.23256 93 2PX -0.12026 -0.06038 -0.02623 -0.04565 -0.05274 94 2PY 0.12203 0.05616 -0.07450 -0.01745 0.03350 95 2PZ -0.11508 0.00802 0.00447 0.00860 -0.04464 96 3S -0.08295 0.43447 0.05960 0.05098 1.66437 97 3PX -0.37282 -0.32541 0.47305 -0.27665 -0.28541 98 3PY 0.38750 -0.03215 -0.42304 -0.20036 0.25642 99 3PZ 0.16218 -0.00238 0.41414 0.28463 0.16819 100 4XX 0.02708 0.02451 0.11905 0.14080 0.03120 101 4YY 0.10558 -0.10316 -0.00723 -0.14430 0.00479 102 4ZZ -0.09582 0.06497 -0.11807 -0.02852 -0.01405 103 4XY 0.04292 -0.06731 0.16671 0.03444 0.24256 104 4XZ -0.00941 -0.08530 0.00960 0.07982 -0.03729 105 4YZ 0.29621 0.01313 -0.12216 -0.13147 0.05932 106 8 C 1S -0.02829 -0.02343 0.01560 0.00912 0.02916 107 2S -0.16701 -0.20098 0.13560 0.19108 0.32303 108 2PX 0.01947 0.08806 0.02240 0.11288 -0.00118 109 2PY 0.03780 0.00136 -0.02254 0.06376 -0.02124 110 2PZ -0.02258 -0.01268 0.02494 -0.00334 0.04221 111 3S 0.98478 1.21471 -0.75711 -0.34710 -1.34369 112 3PX -0.23335 0.21053 0.39825 -0.24118 -0.33726 113 3PY -0.15245 0.32599 -0.04782 -0.19684 -0.24733 114 3PZ -0.14380 -0.06737 -0.14738 -0.39153 -0.21758 115 4XX 0.06401 -0.05534 0.06068 0.03807 -0.08514 116 4YY -0.12723 0.07473 -0.04425 -0.02642 0.05621 117 4ZZ 0.02815 -0.02290 -0.01364 -0.01970 0.06481 118 4XY -0.05012 -0.01424 -0.07348 -0.20051 -0.18862 119 4XZ 0.02885 0.11875 0.09127 0.14827 0.12709 120 4YZ 0.11731 0.03942 -0.01404 -0.09359 -0.14050 121 9 C 1S -0.01676 0.03290 -0.01341 -0.01098 -0.03357 122 2S -0.19413 0.39520 -0.05534 -0.10486 -0.34443 123 2PX -0.00411 -0.13896 0.16683 -0.09663 -0.06446 124 2PY -0.14401 -0.01046 -0.17010 -0.07341 -0.03163 125 2PZ 0.04018 0.04241 0.06860 -0.01488 -0.01027 126 3S 0.82381 -1.59998 0.12557 0.57264 1.18340 127 3PX 0.40647 -0.14729 -0.74018 0.34174 0.64998 128 3PY 0.65844 0.77146 0.58348 0.15608 -0.67279 129 3PZ 0.15238 -0.34651 -0.11992 0.75820 0.61398 130 4XX -0.06851 0.00789 -0.22322 0.18892 -0.03209 131 4YY 0.11386 -0.01363 0.06376 -0.12202 -0.05096 132 4ZZ -0.04793 0.01963 0.12704 -0.07056 0.07093 133 4XY -0.12628 -0.04862 -0.06070 -0.17049 -0.10322 134 4XZ 0.16433 -0.03385 0.10126 0.15267 -0.15051 135 4YZ -0.07172 0.06453 -0.15247 0.01032 0.00586 136 10 C 1S 0.01654 0.02900 0.00581 -0.00710 0.00718 137 2S 0.28001 0.47056 0.00550 -0.11237 0.14814 138 2PX -0.18677 -0.19307 -0.05260 -0.13003 0.06946 139 2PY 0.25818 -0.01236 0.21020 0.01701 0.04724 140 2PZ 0.04899 0.16793 -0.07142 0.08222 -0.08302 141 3S -1.00423 -1.14152 0.12446 1.12886 -0.60500 142 3PX 0.15113 -0.01337 -0.27924 0.35746 -0.13031 143 3PY -1.04178 -0.36552 -0.22088 0.04051 -0.62633 144 3PZ -0.58843 -0.26866 -0.15458 -0.50418 0.98446 145 4XX -0.14176 0.09252 0.03633 -0.22910 0.10208 146 4YY 0.07239 -0.01124 0.09082 0.05803 -0.21158 147 4ZZ 0.06364 -0.06454 -0.12601 0.17616 0.09181 148 4XY 0.05279 0.21440 -0.19532 -0.03035 -0.06936 149 4XZ 0.10579 0.10318 0.23451 -0.16735 0.02954 150 4YZ -0.16419 -0.01833 -0.00565 -0.11404 0.04025 151 11 C 1S 0.00593 -0.02749 -0.00861 0.00820 -0.02404 152 2S -0.01106 -0.28445 0.00874 0.01368 -0.12544 153 2PX -0.05523 0.12642 -0.10841 0.04310 -0.07691 154 2PY 0.00011 -0.00239 -0.07515 -0.01049 -0.01339 155 2PZ 0.04163 -0.03556 0.06166 -0.03113 0.11103 156 3S 0.35386 1.27089 0.35891 -0.25690 1.19701 157 3PX -0.20210 -0.33392 0.11557 0.32779 -0.19499 158 3PY -0.04191 -0.12147 0.17190 0.32841 -0.44063 159 3PZ 0.34261 -0.12237 -0.15371 0.52281 -0.67271 160 4XX 0.07205 -0.01782 0.01818 0.04961 0.03415 161 4YY -0.04447 -0.11432 -0.09350 -0.14732 0.13861 162 4ZZ -0.01034 0.11950 0.07807 0.10496 -0.17626 163 4XY 0.04877 0.24901 -0.11581 0.07133 -0.07282 164 4XZ 0.02777 -0.04606 0.00913 -0.04044 0.17274 165 4YZ 0.01231 -0.13332 0.01377 0.01775 0.07709 166 12 H 1S 0.08932 -0.16125 -0.05623 0.16622 -0.18443 167 2S -0.00479 -0.19037 -0.21166 0.09881 -0.25042 168 13 H 1S -0.05002 -0.02556 0.00384 -0.14349 0.02066 169 2S -0.08649 -0.03933 -0.07262 -0.24136 0.25034 170 14 C 1S -0.00176 0.00123 -0.00241 0.02285 0.02796 171 2S -0.00130 0.03983 0.00968 0.24285 0.28525 172 2PX -0.00592 -0.06971 0.07186 -0.08030 0.00321 173 2PY -0.02962 0.06145 -0.04827 -0.01241 0.02314 174 2PZ 0.04228 -0.02556 0.02952 0.05991 -0.04001 175 3S 0.19376 -0.05824 -0.06061 -0.56347 -1.41277 176 3PX -0.09297 0.36747 0.01288 -0.10470 0.13831 177 3PY 0.09949 -0.37964 -0.06421 -0.05718 0.23293 178 3PZ -0.12601 0.12534 -0.00923 -0.47200 0.00674 179 4XX 0.11894 -0.27726 0.14168 0.13581 -0.11838 180 4YY 0.00671 0.18133 -0.10031 0.08530 0.03280 181 4ZZ -0.12005 0.10742 -0.04127 -0.20419 0.09292 182 4XY -0.03424 0.01443 0.02881 -0.10062 -0.03189 183 4XZ 0.10823 0.02349 -0.00538 0.21724 -0.15294 184 4YZ 0.08225 -0.12794 0.03430 0.07055 0.02441 185 15 H 1S 0.01390 -0.00528 -0.01141 0.17036 0.07482 186 2S -0.00567 0.03875 0.02040 0.01146 0.08241 187 16 H 1S -0.02944 -0.03506 -0.00362 -0.00981 0.15291 188 2S -0.05710 0.02496 0.01767 -0.05244 0.14379 189 17 C 1S 0.00051 0.04362 0.00547 -0.01577 -0.04231 190 2S 0.01094 0.39643 -0.01110 -0.18569 -0.37479 191 2PX -0.06377 0.03576 0.05831 -0.07569 -0.01848 192 2PY 0.03043 -0.06993 0.05339 -0.01698 0.01122 193 2PZ -0.00246 0.06004 -0.04788 -0.01105 -0.00874 194 3S 0.35568 -1.74847 -0.20234 1.02967 1.68017 195 3PX 0.00986 0.21260 -0.11933 -0.05879 -0.21923 196 3PY -0.20554 0.42519 0.02065 0.18718 -0.16767 197 3PZ 0.12675 -0.17882 0.10453 0.41522 -0.10564 198 4XX -0.09925 0.03936 0.11090 -0.28449 0.03405 199 4YY -0.00758 0.14831 -0.05724 0.09701 -0.18520 200 4ZZ 0.11902 -0.15505 -0.04907 0.18255 0.13327 201 4XY 0.06821 -0.14293 0.12508 -0.02561 -0.05215 202 4XZ -0.12546 0.24258 -0.02552 -0.15698 -0.06788 203 4YZ -0.04711 0.04147 0.03176 -0.09821 -0.02954 204 18 C 1S 0.02932 -0.05235 -0.01303 0.02201 0.03419 205 2S 0.37018 -0.55485 -0.04845 0.05264 0.24572 206 2PX -0.07153 0.07444 -0.15447 0.07224 0.13776 207 2PY 0.00416 0.05399 -0.00760 -0.00859 -0.01229 208 2PZ 0.01707 -0.06063 0.03291 0.02872 0.01225 209 3S -1.12953 2.39100 0.59945 -0.56223 -1.66810 210 3PX 0.00629 -0.00520 0.13064 -0.49564 -0.17000 211 3PY -0.27821 0.24366 0.06004 -0.27980 -0.32011 212 3PZ -0.23756 0.43421 0.23523 -0.75170 -0.42815 213 4XX -0.00267 0.17666 -0.20708 0.13007 0.10554 214 4YY -0.03673 -0.27956 0.00727 -0.12168 0.10125 215 4ZZ 0.06435 0.08517 0.19220 0.00985 -0.19156 216 4XY 0.08464 -0.04033 0.12287 -0.01405 -0.07798 217 4XZ -0.01000 -0.00589 -0.12337 -0.00544 0.14588 218 4YZ -0.00375 0.01784 -0.09046 0.04679 0.04222 219 19 H 1S 0.02054 -0.08248 -0.01016 -0.12511 0.06299 220 2S 0.00494 -0.05977 0.05168 -0.25587 -0.12586 221 20 H 1S 0.16067 -0.27041 -0.09866 0.23851 0.15742 222 2S 0.13770 -0.27454 -0.10560 0.28268 0.23343 223 21 H 1S -0.01132 0.10762 -0.01552 -0.15670 -0.09959 224 2S -0.00333 0.10276 -0.00544 -0.19659 -0.04523 225 22 H 1S 0.00978 0.17769 0.05108 0.05217 -0.22556 226 2S -0.08010 0.16668 0.07605 -0.01946 -0.15528 227 23 H 1S -0.08339 0.09193 -0.01468 -0.06353 0.09395 228 2S -0.26013 -0.15147 -0.16736 -0.34180 0.28872 229 24 H 1S -0.15267 0.13628 -0.05622 -0.13851 -0.14163 230 2S -0.30264 0.03826 0.01148 -0.38091 -0.22538 231 25 H 1S -0.13175 -0.08733 0.05461 -0.00299 0.02452 232 2S -0.04001 -0.06870 -0.00920 -0.08125 0.11864 233 26 H 1S -0.09335 -0.11331 0.08615 0.11687 0.13335 234 2S -0.05076 -0.03289 0.11178 0.16520 0.16133 235 27 H 1S 0.13458 -0.10489 -0.20483 -0.12771 -0.31322 236 2S 0.00437 -0.08562 -0.09703 -0.20691 -0.16599 237 28 Br 1S 0.01370 -0.00957 -0.00451 -0.00302 -0.00543 238 2S -0.06495 0.04954 0.02420 0.01667 0.03244 239 3S 0.01897 -0.02699 -0.01509 -0.01163 -0.02994 240 4S 0.29265 -0.19873 -0.09491 -0.06280 -0.10553 241 5S 0.18807 -0.01031 0.08870 -0.17635 0.30935 242 6S -1.46502 0.76320 0.13823 0.68877 -0.28311 243 7PX 0.00176 -0.00226 0.00360 -0.00382 0.00201 244 7PY 0.00839 -0.00311 -0.00526 -0.00108 0.00075 245 7PZ 0.01001 -0.00061 -0.00029 0.00315 0.00226 246 8PX -0.00586 0.00745 -0.01167 0.01263 -0.00666 247 8PY -0.02747 0.01005 0.01715 0.00357 -0.00289 248 8PZ -0.03306 0.00175 0.00089 -0.01036 -0.00802 249 9PX 0.02462 -0.02995 0.03717 -0.05129 0.03190 250 9PY 0.10085 -0.03126 -0.05158 -0.02441 0.03267 251 9PZ 0.12561 0.00750 0.00890 0.03499 0.06583 252 10PX -0.00327 0.02885 0.00316 0.06123 -0.07483 253 10PY -0.05496 0.01495 -0.09185 0.16824 -0.09763 254 10PZ 0.02259 -0.09031 -0.09782 0.07131 -0.21606 255 11XX 0.00465 0.00378 -0.00185 0.00464 0.00300 256 11YY -0.00517 0.00792 0.01252 0.00245 0.01087 257 11ZZ -0.00648 0.01463 0.00631 0.00658 0.02310 258 11XY -0.00469 -0.00358 -0.00416 0.00079 0.00114 259 11XZ 0.00208 0.00267 -0.00716 -0.00180 0.00154 260 11YZ -0.00901 0.00631 0.01119 -0.00556 0.00766 261 12XX 0.57922 -0.32609 -0.08570 -0.18064 0.00414 262 12YY 0.64439 -0.35660 -0.21081 -0.14594 -0.03792 263 12ZZ 0.69823 -0.40328 -0.14413 -0.16843 -0.12729 264 12XY 0.02105 0.01528 0.03659 -0.01472 -0.00672 265 12XZ 0.00060 -0.02103 0.04805 0.00259 -0.01753 266 12YZ 0.07935 -0.03164 -0.09898 0.06703 -0.03542 267 29 C 1S -0.01193 -0.00852 -0.01157 -0.00268 0.00033 268 2S -0.39242 -0.28306 -0.10541 0.04201 -0.21526 269 2PX -0.00101 -0.05956 -0.02038 0.01691 -0.01077 270 2PY 0.09343 0.04240 -0.02049 -0.03507 0.06759 271 2PZ 0.12976 0.07395 0.00015 -0.00348 0.07085 272 3S 0.33849 0.51222 0.41580 0.19419 0.45286 273 3PX 0.03704 0.32028 0.07272 0.27753 -0.16291 274 3PY -0.04528 -0.04519 -0.25698 -0.07467 -0.12558 275 3PZ -0.00654 -0.17358 0.03066 -0.24084 -0.27984 276 4XX -0.06295 -0.16731 -0.15688 -0.00815 -0.04312 277 4YY 0.07691 0.04207 0.02938 -0.12351 0.03381 278 4ZZ -0.03316 0.11757 0.11388 0.12847 0.01022 279 4XY -0.02817 -0.00977 -0.08285 0.06526 0.03597 280 4XZ 0.00886 -0.17464 -0.15750 -0.06394 0.01356 281 4YZ 0.06994 0.05319 -0.02201 -0.05153 0.18837 282 30 H 1S -0.00343 0.02163 -0.03419 0.04990 -0.02794 283 2S -0.14761 0.07499 0.04729 0.20590 -0.05896 284 31 H 1S -0.04470 -0.01416 -0.07271 -0.06558 0.07248 285 2S -0.01854 -0.07767 -0.18701 0.05757 0.09882 286 32 H 1S -0.04041 -0.04819 0.05498 -0.06266 -0.01459 287 2S -0.06233 -0.24525 0.00415 -0.06311 -0.01910 288 33 H 1S -0.00800 0.02594 -0.01211 0.05012 0.13847 289 2S -0.00209 -0.05722 0.06356 0.11076 0.06958 290 34 H 1S 0.13487 0.03364 -0.03744 -0.12964 -0.04745 291 2S 0.14888 0.10760 0.13747 -0.19101 0.04596 292 35 H 1S -0.15155 -0.12015 -0.00388 0.16665 -0.13657 293 2S -0.07476 -0.11174 -0.00103 0.15434 -0.13244 294 36 H 1S 0.00650 -0.15092 -0.12660 -0.09269 -0.10459 295 2S -0.04991 -0.06668 -0.09972 -0.08906 -0.00317 296 37 H 1S 0.10483 0.12279 0.01562 -0.02779 0.07255 297 2S 0.13390 0.09279 0.03258 -0.00348 0.11790 298 38 H 1S 0.18424 0.07761 -0.02022 -0.12075 -0.02415 299 2S 0.10988 0.02114 -0.03416 0.02321 0.03109 300 39 H 1S -0.18378 -0.03236 -0.00925 0.06502 0.04578 301 2S -0.07900 0.10410 -0.00198 0.06909 0.16626 302 40 H 1S -0.14594 -0.12255 0.06048 -0.16939 -0.09659 303 2S -0.25243 -0.19199 0.21497 -0.08067 -0.22030 221 222 223 224 225 V V V V V Eigenvalues -- 1.66172 1.67430 1.68232 1.69550 1.71305 1 1 C 1S 0.02909 -0.00035 -0.00041 -0.00369 -0.03094 2 2S 0.24596 -0.53866 -0.05386 0.16090 -0.42564 3 2PX -0.06967 -0.18269 0.10116 -0.00839 -0.02858 4 2PY 0.06175 -0.05788 -0.09836 0.00151 -0.07287 5 2PZ 0.00017 0.07795 0.02390 -0.06740 0.02165 6 3S -1.18526 0.52697 0.48693 -0.22717 1.67937 7 3PX -0.23995 0.00451 0.14407 0.11302 0.64546 8 3PY -0.31663 0.72628 0.42863 0.65799 0.13262 9 3PZ 0.02015 -0.38148 0.08659 0.23725 -0.31366 10 4XX 0.02067 0.05647 -0.04074 0.10367 0.04680 11 4YY -0.07278 -0.07232 0.10707 -0.08935 -0.10745 12 4ZZ 0.08613 0.03117 -0.05949 -0.02646 0.06130 13 4XY 0.02916 -0.08427 -0.08839 0.14369 0.11605 14 4XZ -0.12085 -0.10305 0.02454 -0.01814 -0.12317 15 4YZ 0.01975 -0.13528 -0.06279 0.09466 -0.07012 16 2 C 1S -0.00189 0.02203 -0.01499 -0.02495 -0.00064 17 2S 0.16429 0.47520 -0.19055 -0.03581 0.15985 18 2PX 0.05885 0.13022 0.02867 0.04668 0.06964 19 2PY -0.03089 0.11303 0.08885 0.00053 0.04406 20 2PZ 0.02315 -0.09294 -0.03691 0.05417 -0.05633 21 3S -0.18619 -1.22419 0.81231 0.51597 -0.24539 22 3PX -0.35660 -0.56436 0.24961 0.00479 -0.32548 23 3PY 0.00291 0.03115 -0.13447 -0.06410 0.38909 24 3PZ 0.35471 0.03948 -0.33857 -0.38129 0.22292 25 4XX 0.04311 -0.06491 -0.07169 -0.02840 0.00302 26 4YY -0.09289 0.14986 0.06199 0.05129 0.05714 27 4ZZ 0.05697 -0.08625 0.00128 -0.05052 -0.07193 28 4XY -0.03235 -0.26069 -0.08548 -0.00126 -0.06871 29 4XZ 0.00259 0.12659 0.03694 -0.18192 0.00577 30 4YZ 0.05888 0.02459 -0.03699 0.07308 0.00309 31 3 C 1S -0.02805 0.00823 0.03176 0.02465 0.03548 32 2S -0.39653 0.17697 0.49710 0.15397 0.36874 33 2PX -0.08313 -0.15452 0.00118 -0.03716 -0.08266 34 2PY 0.03226 -0.10585 -0.07973 0.02469 -0.01876 35 2PZ -0.00419 0.08984 0.02748 -0.00196 0.07097 36 3S 1.27420 -0.31770 -1.55740 -0.90298 -1.36529 37 3PX 0.32659 -0.06738 -0.19644 -0.05254 -0.15286 38 3PY -0.27129 0.06219 0.56045 0.17684 0.07096 39 3PZ -0.06769 -0.32082 0.12511 0.35985 -0.33819 40 4XX 0.01387 0.21095 0.05621 -0.03217 0.07723 41 4YY 0.03615 -0.17006 -0.13932 0.07873 0.09735 42 4ZZ -0.04784 -0.03485 0.08188 -0.04613 -0.15603 43 4XY -0.13832 -0.11981 0.05547 -0.09353 -0.08412 44 4XZ 0.06082 0.07623 -0.02361 -0.12309 0.12879 45 4YZ 0.03631 0.08159 0.04851 0.05115 0.09289 46 4 C 1S 0.02554 -0.02845 -0.02890 -0.03522 -0.04752 47 2S 0.15272 -0.61483 -0.35292 -0.13302 -0.63613 48 2PX 0.05090 0.14733 0.00238 0.08258 0.07181 49 2PY -0.01035 0.04245 0.01080 -0.09410 0.04286 50 2PZ 0.00167 -0.03010 0.00116 0.08770 -0.02426 51 3S -0.73916 1.60258 1.30156 1.23477 2.17330 52 3PX 0.17598 -0.19062 -0.32808 -0.22414 -0.11890 53 3PY -0.13508 -0.37401 -0.34703 -0.01992 -0.18475 54 3PZ -0.00190 0.35314 -0.13628 -0.04046 0.31865 55 4XX 0.06082 0.14115 0.01466 0.12247 0.08086 56 4YY -0.09912 -0.16903 0.04894 -0.04276 -0.02231 57 4ZZ 0.06509 0.01894 -0.07252 -0.11858 -0.07469 58 4XY 0.00653 0.05496 -0.01944 0.07067 0.05637 59 4XZ -0.06834 -0.10177 0.07894 0.03073 -0.01232 60 4YZ 0.00510 0.00188 0.00994 0.18008 0.10419 61 5 C 1S -0.00561 -0.00003 0.02533 -0.00437 0.00032 62 2S 0.07866 0.21851 0.38791 0.07345 0.07680 63 2PX -0.16284 -0.02277 0.10486 -0.22071 0.12357 64 2PY -0.14853 -0.03285 -0.26333 -0.10404 0.06014 65 2PZ -0.11383 -0.00925 -0.05286 -0.16233 -0.18223 66 3S -0.24061 0.44250 -1.14654 0.30119 -0.25920 67 3PX 0.31641 0.56161 -0.41688 -0.03682 -0.50706 68 3PY 0.13773 -0.90552 1.13709 -0.16426 -0.97274 69 3PZ 0.34994 0.09451 0.46942 0.98217 0.65915 70 4XX -0.21718 -0.09722 0.10538 0.09176 -0.25455 71 4YY 0.06710 0.11881 -0.20585 -0.14113 0.21465 72 4ZZ 0.16944 -0.03483 0.10038 0.03368 0.02274 73 4XY -0.05984 -0.00669 0.02779 0.04038 0.08923 74 4XZ 0.09005 0.02063 0.03306 -0.01718 0.05853 75 4YZ 0.14478 0.07800 0.04991 0.26438 0.08082 76 6 C 1S -0.00894 0.00935 -0.00004 0.00571 0.02552 77 2S -0.17547 0.11503 0.14001 -0.13198 0.24235 78 2PX 0.09413 0.16191 -0.02945 0.05319 -0.04576 79 2PY 0.08222 0.04425 0.22057 0.31681 -0.07359 80 2PZ 0.01472 -0.05576 -0.02113 -0.03321 -0.03511 81 3S 0.38365 -1.10277 0.04842 0.49653 -1.36993 82 3PX -0.71397 -1.30012 0.67398 -0.34404 0.67866 83 3PY 0.53220 -0.05769 -0.75792 -1.93021 -0.60932 84 3PZ -0.07051 0.37689 -0.22910 0.05846 0.32183 85 4XX 0.02291 0.23100 -0.10925 -0.10358 0.04731 86 4YY -0.20514 -0.12576 0.06527 0.08028 0.11442 87 4ZZ 0.21155 -0.13053 0.01919 0.02724 -0.17895 88 4XY -0.13107 -0.09318 -0.12488 -0.26260 0.00713 89 4XZ 0.05019 -0.06774 -0.06813 0.02809 0.03327 90 4YZ 0.20834 -0.02543 -0.06568 -0.14294 -0.05397 91 7 C 1S -0.02800 -0.02513 -0.02812 0.03794 0.02682 92 2S -0.00626 -0.32428 -0.36031 0.10532 0.23340 93 2PX 0.07759 -0.02601 0.16124 -0.05264 -0.01997 94 2PY 0.09249 -0.01003 -0.15357 -0.17499 0.02315 95 2PZ 0.03388 0.04159 0.12247 0.00223 0.00971 96 3S 0.63041 1.38477 0.70854 -2.11718 -0.84550 97 3PX -0.29465 0.51956 -0.09637 0.32416 0.08464 98 3PY 0.14292 0.51900 -0.15847 -0.12380 -0.55785 99 3PZ -0.62187 -0.36447 -0.02270 0.40295 0.47213 100 4XX -0.25859 -0.10535 -0.23815 0.07662 0.16936 101 4YY -0.06172 0.05068 0.14242 0.29809 -0.05302 102 4ZZ 0.32024 0.07861 0.10592 -0.41764 -0.13415 103 4XY -0.14799 0.22280 0.01695 -0.01426 -0.14297 104 4XZ -0.10376 0.18472 -0.17178 0.04204 -0.17344 105 4YZ 0.01380 -0.06606 -0.08535 -0.11477 -0.11511 106 8 C 1S -0.02457 0.01376 0.03025 -0.04783 0.01302 107 2S -0.03834 0.33918 0.46482 -0.55926 0.05199 108 2PX -0.09221 0.01518 -0.20006 0.08419 -0.00072 109 2PY 0.01862 0.05641 -0.06625 0.04424 -0.04152 110 2PZ -0.07604 -0.01061 0.00975 -0.03344 0.00225 111 3S 0.66758 -1.20999 -1.56431 2.37678 -0.50619 112 3PX 0.22820 0.21195 0.19007 0.12367 -0.11600 113 3PY 0.25842 -0.61718 0.13568 0.51481 0.44080 114 3PZ 0.62749 -0.16158 0.21420 -0.28551 0.39563 115 4XX -0.11121 0.00253 -0.21282 0.12101 -0.01656 116 4YY 0.01114 -0.08780 0.17712 0.00365 0.10037 117 4ZZ 0.09905 0.08093 0.05561 -0.14592 -0.09953 118 4XY 0.16456 -0.04673 0.07700 0.06678 -0.01844 119 4XZ -0.11843 -0.17823 -0.01561 0.07655 0.33059 120 4YZ 0.12955 0.10021 -0.26716 0.07094 -0.15851 121 9 C 1S 0.01840 0.00731 -0.02702 0.03791 -0.01541 122 2S 0.03110 0.09659 -0.39423 0.40758 -0.06058 123 2PX 0.07434 -0.00786 0.11602 -0.15388 0.07673 124 2PY -0.01542 -0.07338 0.07787 0.00306 0.09220 125 2PZ 0.05138 0.00057 -0.08225 0.03411 0.07190 126 3S -0.46709 0.03287 1.56874 -1.47425 0.45796 127 3PX -0.15570 -0.32124 0.05387 1.02589 -0.18235 128 3PY 0.12833 0.17588 -0.19214 0.59799 -0.90211 129 3PZ -0.48678 0.60286 0.32965 -0.53071 -0.95850 130 4XX 0.14922 -0.07097 -0.04224 0.04625 0.04572 131 4YY 0.00476 -0.09536 0.22822 -0.01361 -0.09391 132 4ZZ -0.12455 0.16869 -0.18625 -0.02905 0.04645 133 4XY 0.08783 -0.07989 0.12652 -0.05808 0.08429 134 4XZ 0.15429 -0.04351 0.11396 0.02917 0.14815 135 4YZ 0.09983 -0.08657 -0.02548 0.01449 0.01233 136 10 C 1S -0.04082 0.00420 0.02017 -0.00497 -0.00249 137 2S -0.41911 0.09259 0.42222 -0.14720 0.28614 138 2PX 0.02951 -0.15981 -0.05084 0.10532 -0.19810 139 2PY -0.04020 0.14162 0.03297 -0.05868 -0.01853 140 2PZ 0.01833 0.04124 0.05952 0.00489 -0.01404 141 3S 1.40979 -0.58839 -0.44421 0.76497 -0.50695 142 3PX 0.13379 0.74218 -0.83188 -0.38692 0.41447 143 3PY 0.55362 -0.82063 -0.40071 0.15312 0.96414 144 3PZ -0.46459 -0.33623 -0.12076 -0.20194 0.21456 145 4XX -0.19659 -0.04886 0.10161 -0.04491 -0.08521 146 4YY 0.11334 0.08859 -0.19872 0.07944 -0.07600 147 4ZZ 0.07986 -0.06942 0.08327 -0.01742 0.12171 148 4XY 0.08465 -0.06834 0.02803 -0.05708 0.13801 149 4XZ -0.06279 0.09081 0.10101 -0.08892 0.08991 150 4YZ -0.04207 -0.04087 -0.03179 0.00654 -0.00366 151 11 C 1S 0.04584 -0.02968 -0.02277 0.02454 -0.00373 152 2S 0.28869 -0.19901 -0.12331 0.31978 -0.21538 153 2PX -0.00002 0.06569 -0.05032 0.00331 0.06240 154 2PY 0.04439 -0.05163 -0.04409 -0.04770 0.05863 155 2PZ -0.02589 0.00009 0.02384 0.00043 -0.06058 156 3S -1.64727 1.13069 1.03810 -1.16087 -0.12999 157 3PX 0.54206 -0.14511 -0.14060 -0.09959 -0.16751 158 3PY 0.33429 0.11157 -0.20286 0.36409 0.03477 159 3PZ 0.23590 -0.04531 0.29531 0.21121 -0.08526 160 4XX 0.08561 0.03309 0.02213 0.05001 -0.08843 161 4YY -0.02892 -0.19719 -0.00887 -0.06341 0.11483 162 4ZZ -0.01798 0.14766 -0.02702 0.02026 -0.02007 163 4XY -0.00454 0.04617 0.07818 0.06472 -0.06412 164 4XZ -0.00080 -0.02346 0.09299 0.01525 -0.03862 165 4YZ 0.04826 -0.04296 -0.02096 0.02005 -0.00448 166 12 H 1S 0.25813 -0.14010 -0.05671 0.12895 -0.06834 167 2S 0.18212 -0.16023 0.03062 0.09366 -0.06741 168 13 H 1S 0.06056 -0.09383 -0.11995 0.04030 0.02441 169 2S -0.06799 -0.08296 -0.09769 -0.04668 -0.03815 170 14 C 1S -0.00914 0.04298 -0.00915 -0.03075 -0.00404 171 2S -0.06322 0.38044 -0.02847 -0.43036 -0.00373 172 2PX 0.02637 -0.06178 -0.02536 -0.01108 0.04853 173 2PY -0.03798 0.05046 0.01506 0.04814 -0.02450 174 2PZ 0.03210 -0.03581 0.03659 -0.01491 -0.01350 175 3S 0.43604 -1.63009 0.23152 1.59134 -0.01486 176 3PX -0.31107 0.07911 0.05273 -0.32098 0.00492 177 3PY -0.02036 -0.00456 -0.28856 -0.34520 0.35466 178 3PZ -0.12808 -0.27092 -0.21279 0.14563 0.18807 179 4XX 0.19647 -0.10805 -0.06060 -0.06543 0.05532 180 4YY -0.14780 0.06152 0.16768 0.08677 -0.11082 181 4ZZ -0.04518 0.06703 -0.11685 -0.02703 0.06523 182 4XY 0.05443 -0.07031 -0.04513 -0.02830 0.09707 183 4XZ 0.03603 0.03376 0.07920 0.03712 -0.11106 184 4YZ 0.05254 -0.02958 0.04701 -0.02297 0.00099 185 15 H 1S -0.00219 0.20801 0.02369 -0.03945 -0.12979 186 2S -0.00510 0.11585 0.03061 0.00349 -0.02538 187 16 H 1S -0.09819 0.10510 -0.09493 -0.18441 0.07455 188 2S -0.06487 0.07254 -0.12658 -0.18102 0.10316 189 17 C 1S 0.00005 -0.04109 0.02299 0.02264 -0.00426 190 2S 0.03902 -0.45135 0.13540 0.26645 -0.12166 191 2PX -0.02254 -0.01076 0.01970 -0.04049 0.06501 192 2PY 0.03184 -0.07770 0.03620 -0.07605 0.06775 193 2PZ -0.04000 0.03439 -0.03849 0.05419 -0.02911 194 3S -0.04642 1.85114 -0.72660 -0.96192 0.23387 195 3PX 0.09755 -0.36577 0.02291 0.29000 -0.18412 196 3PY -0.05145 0.17940 0.37166 0.10825 -0.31076 197 3PZ 0.05217 -0.09257 0.41704 0.17009 -0.30038 198 4XX -0.10570 -0.06252 -0.05847 -0.12468 0.20027 199 4YY 0.12027 0.06202 -0.06499 0.15211 -0.10365 200 4ZZ -0.01531 -0.01029 0.12668 -0.01862 -0.08888 201 4XY 0.06785 -0.14305 0.06486 -0.05859 0.10522 202 4XZ -0.11896 0.06103 -0.06180 0.05852 -0.02397 203 4YZ 0.01373 -0.01297 -0.08840 0.02343 0.01725 204 18 C 1S 0.00288 0.01278 -0.01049 -0.00023 0.00929 205 2S -0.09864 0.33692 -0.11461 0.13815 -0.06052 206 2PX -0.05371 -0.03873 -0.02230 0.00454 0.01157 207 2PY -0.03427 0.05489 0.04156 0.05291 -0.05137 208 2PZ -0.00899 -0.01326 0.04889 -0.04012 0.01849 209 3S 0.23571 -0.68798 0.26535 -0.03823 -0.59987 210 3PX -0.02633 -0.28666 0.31133 0.09653 0.32320 211 3PY 0.04797 -0.32756 -0.12740 -0.10622 0.03773 212 3PZ 0.14811 0.24065 -0.76891 0.01348 0.26219 213 4XX -0.07177 -0.00445 0.09549 0.13430 -0.08984 214 4YY 0.03711 -0.05978 -0.16434 -0.17105 0.17909 215 4ZZ 0.05028 0.06638 0.06881 0.02956 -0.06835 216 4XY 0.05067 -0.12294 0.22700 -0.02574 0.11070 217 4XZ -0.07947 0.00843 0.10209 -0.00074 0.06023 218 4YZ 0.01723 0.04835 -0.06084 0.04925 -0.05158 219 19 H 1S -0.02259 0.04925 -0.17452 0.01457 0.08405 220 2S 0.04026 0.06491 -0.26334 0.02168 0.06783 221 20 H 1S 0.04614 0.00167 0.07295 0.02572 -0.06019 222 2S -0.11029 0.00593 0.04139 -0.04100 -0.03278 223 21 H 1S 0.00554 -0.17042 -0.03617 0.02489 0.10097 224 2S -0.01068 -0.11632 -0.07255 -0.04153 0.12717 225 22 H 1S -0.00221 -0.13558 0.22082 0.11852 -0.10768 226 2S 0.00031 -0.05590 0.11507 0.05592 -0.05145 227 23 H 1S -0.12752 -0.03075 -0.02627 -0.05828 0.13729 228 2S -0.26162 -0.21741 -0.06480 -0.07200 0.31799 229 24 H 1S 0.06977 -0.04734 -0.15111 0.10474 0.14969 230 2S 0.13796 -0.18235 -0.26583 0.11454 0.47211 231 25 H 1S 0.01409 -0.08282 0.21305 -0.14029 0.22442 232 2S 0.05926 -0.13918 0.28400 -0.12821 0.20838 233 26 H 1S -0.26805 0.12415 0.01839 -0.07584 -0.00511 234 2S -0.21875 0.16062 0.11089 -0.14754 -0.12448 235 27 H 1S -0.00552 -0.04639 -0.24270 0.14903 -0.07749 236 2S 0.04173 0.21307 -0.09470 0.13986 -0.15705 237 28 Br 1S -0.01684 -0.00086 -0.00244 0.00642 0.00971 238 2S 0.08149 0.00122 0.00771 -0.03045 -0.05086 239 3S -0.02862 0.00838 0.00950 0.01034 0.02949 240 4S -0.36028 -0.02284 -0.05880 0.13183 0.20191 241 5S -0.18101 0.01286 -0.02769 -0.11858 -0.38140 242 6S 1.66722 0.02524 0.16377 -0.24830 0.16043 243 7PX -0.00485 -0.00208 -0.00369 0.00592 -0.00065 244 7PY -0.00751 -0.00042 -0.00499 -0.00414 0.00154 245 7PZ -0.01152 -0.00463 -0.00814 0.00629 0.00683 246 8PX 0.01598 0.00688 0.01212 -0.01924 0.00259 247 8PY 0.02455 0.00162 0.01664 0.01391 -0.00451 248 8PZ 0.03751 0.01505 0.02708 -0.01984 -0.02161 249 9PX -0.06909 -0.02619 -0.04620 0.06072 -0.03632 250 9PY -0.09022 -0.01849 -0.06901 -0.05841 -0.02059 251 9PZ -0.12020 -0.04091 -0.10587 0.03419 0.02747 252 10PX 0.08371 -0.02070 0.01142 0.05492 0.17021 253 10PY 0.05943 0.06227 -0.03667 -0.06662 0.25986 254 10PZ -0.15318 -0.11290 -0.11017 0.17462 0.33859 255 11XX -0.00525 -0.00164 -0.01084 0.01034 0.00259 256 11YY -0.00013 -0.02203 -0.00617 0.01128 -0.00998 257 11ZZ 0.02217 0.00943 -0.00168 -0.02428 -0.02198 258 11XY -0.00215 -0.00557 0.00531 -0.00457 -0.00932 259 11XZ 0.00415 0.00422 0.00187 -0.01555 -0.01838 260 11YZ 0.01209 -0.00159 0.00105 0.00265 -0.02081 261 12XX -0.67509 -0.07833 -0.10514 0.13907 0.13980 262 12YY -0.70392 0.07163 -0.16045 0.07420 0.22974 263 12ZZ -0.91673 -0.17349 -0.23670 0.39168 0.34798 264 12XY 0.01918 0.03559 -0.03992 0.03884 0.05769 265 12XZ -0.03440 -0.05057 -0.02443 0.12897 0.12779 266 12YZ -0.08986 -0.00224 -0.05244 -0.05878 0.16842 267 29 C 1S 0.02397 -0.00627 -0.01101 0.00387 0.01351 268 2S 0.00866 -0.14812 -0.29048 -0.26969 -0.00668 269 2PX 0.01415 -0.04403 -0.00428 0.01494 -0.01124 270 2PY 0.05597 0.02274 0.08849 0.12261 0.02742 271 2PZ 0.08600 0.02128 0.04653 0.08036 0.01763 272 3S -0.49563 0.48143 0.25075 0.00728 -0.04547 273 3PX -0.14594 0.01286 0.14865 -0.26302 0.12964 274 3PY 0.03731 -0.11857 -0.35614 -0.17083 0.04530 275 3PZ -0.09119 -0.16365 0.18139 0.07000 -0.15317 276 4XX -0.02795 -0.08853 -0.13504 -0.00189 -0.06806 277 4YY -0.06722 0.03685 0.18976 0.00603 -0.14379 278 4ZZ 0.11522 0.05073 -0.04624 0.01072 0.23037 279 4XY 0.03946 -0.06174 -0.06657 -0.00640 0.04426 280 4XZ 0.07237 -0.04507 -0.06061 0.12313 -0.05643 281 4YZ 0.19449 0.06622 0.05082 0.19606 0.09046 282 30 H 1S 0.05773 -0.00894 -0.02802 -0.03842 0.07997 283 2S -0.00656 -0.02911 0.07286 -0.09519 0.05529 284 31 H 1S 0.14640 -0.05749 -0.07631 0.05241 0.04406 285 2S 0.08954 0.00256 -0.22858 -0.08818 -0.00812 286 32 H 1S 0.08214 0.06413 -0.00510 0.12246 0.07655 287 2S 0.11575 -0.07607 0.02111 0.10224 -0.06831 288 33 H 1S 0.09221 -0.13292 -0.14833 -0.15115 -0.18247 289 2S -0.01244 -0.14702 -0.20919 -0.05714 -0.19280 290 34 H 1S 0.09350 -0.03622 -0.03034 -0.09813 -0.17507 291 2S 0.09702 0.00081 -0.05494 -0.09794 -0.07517 292 35 H 1S -0.09091 0.09606 0.03936 -0.03238 0.16669 293 2S -0.06639 0.13293 0.01581 -0.05684 0.19479 294 36 H 1S -0.13031 -0.02958 0.14470 0.21962 0.09875 295 2S -0.02519 -0.08051 0.06332 0.09805 -0.00905 296 37 H 1S 0.06830 0.11790 -0.13495 -0.15864 0.12238 297 2S 0.06232 0.12424 -0.20417 -0.11702 0.18970 298 38 H 1S -0.12999 0.01140 0.04977 -0.08271 -0.11128 299 2S -0.10398 -0.09072 0.00588 -0.01409 -0.12656 300 39 H 1S 0.09982 -0.02189 -0.01879 -0.08665 -0.09029 301 2S 0.17722 -0.17104 -0.15247 -0.15994 -0.10956 302 40 H 1S 0.04631 0.10342 0.04499 0.05979 -0.13661 303 2S -0.12265 0.13417 0.10382 0.24164 0.10547 226 227 228 229 230 V V V V V Eigenvalues -- 1.73755 1.74677 1.76103 1.76468 1.78518 1 1 C 1S 0.00175 0.01504 0.01926 -0.01931 -0.01172 2 2S -0.15705 0.11776 0.41616 -0.19618 0.01210 3 2PX 0.14998 -0.10413 0.03889 -0.01251 -0.06826 4 2PY -0.11179 0.07421 0.03495 0.01562 0.02520 5 2PZ 0.10132 -0.00451 -0.04397 0.01387 -0.05117 6 3S 0.60859 -0.48869 -1.26235 1.24347 0.15666 7 3PX 0.40451 -0.09518 -0.26532 0.24806 0.39531 8 3PY 0.20189 0.12464 -0.26605 0.04427 0.47981 9 3PZ -0.27191 -0.18712 0.29400 -0.35972 0.01628 10 4XX -0.05449 0.13203 -0.01634 0.06740 0.04702 11 4YY -0.15951 -0.18950 0.01479 -0.10697 -0.14593 12 4ZZ 0.22101 0.05560 -0.00413 0.03529 0.08314 13 4XY 0.00715 0.03949 0.04680 0.05036 0.07135 14 4XZ 0.02190 -0.11256 0.04577 -0.06555 -0.29981 15 4YZ -0.20961 0.04063 0.05074 0.01341 0.04921 16 2 C 1S -0.02788 0.01495 -0.00978 0.01941 -0.00976 17 2S -0.56214 0.38306 -0.15045 0.42512 -0.15854 18 2PX -0.09635 0.05307 0.01124 0.03293 -0.01686 19 2PY 0.16288 -0.04779 -0.07140 0.01011 -0.09542 20 2PZ -0.09700 0.04830 0.04802 0.01577 0.08754 21 3S 1.40020 -1.15673 0.69031 -1.45277 0.39757 22 3PX 0.45011 -0.48361 0.08853 -0.45581 -0.05681 23 3PY 0.04580 -0.01487 0.03625 -0.00701 0.10691 24 3PZ 0.07896 0.13310 0.08769 -0.11097 -0.05413 25 4XX 0.02103 -0.03866 -0.00020 -0.03502 -0.00017 26 4YY -0.10636 0.03013 -0.01224 -0.10783 0.28794 27 4ZZ 0.09091 -0.00331 0.01428 0.12831 -0.30207 28 4XY -0.12939 -0.06534 0.10727 -0.05538 0.11549 29 4XZ 0.07653 -0.14415 -0.06136 -0.13066 -0.11489 30 4YZ -0.14303 -0.00168 -0.02161 -0.00114 0.01959 31 3 C 1S 0.01784 -0.03547 0.00390 -0.02786 0.01482 32 2S 0.56768 -0.51063 -0.05056 -0.34337 0.03223 33 2PX 0.07501 -0.03858 0.05863 -0.09977 0.12814 34 2PY -0.06353 0.02106 0.04952 -0.00514 0.04874 35 2PZ 0.04751 -0.01634 -0.02385 -0.00933 -0.02323 36 3S -1.40205 1.89311 -0.00237 1.21832 -0.23424 37 3PX -0.04296 0.37091 0.03797 0.21424 -0.02424 38 3PY 0.49722 -0.41407 -0.05393 -0.27642 0.04875 39 3PZ -0.30157 0.03213 0.06271 0.37909 -0.14660 40 4XX -0.14680 0.04827 -0.05777 0.05760 0.01546 41 4YY 0.05612 0.02910 0.06879 0.01331 0.14017 42 4ZZ 0.08501 -0.06642 -0.00728 -0.07625 -0.14639 43 4XY -0.06590 -0.08162 0.04684 -0.10614 0.25307 44 4XZ 0.11314 0.05955 -0.07378 0.11994 0.17121 45 4YZ 0.03665 -0.00620 -0.01015 0.05050 -0.05101 46 4 C 1S 0.01766 0.04302 0.00111 0.03334 -0.00287 47 2S -0.04803 0.18457 0.23083 0.18497 0.20327 48 2PX -0.20396 -0.02046 0.00770 0.05078 -0.07455 49 2PY 0.15945 0.05267 -0.06972 0.02238 0.03409 50 2PZ -0.15680 -0.06583 0.04865 -0.00672 -0.02544 51 3S -0.90266 -1.93676 -0.13103 -1.41903 -0.87574 52 3PX -0.28709 0.27767 0.21179 -0.32074 -0.31264 53 3PY 0.11227 0.23660 0.14685 0.17702 -0.14629 54 3PZ -0.18653 -0.10075 -0.01641 -0.26666 -0.42070 55 4XX -0.12280 0.10972 0.00648 0.14144 -0.13316 56 4YY 0.00983 -0.19958 0.00582 -0.11662 0.00748 57 4ZZ 0.13343 0.11650 -0.02876 -0.00748 0.10041 58 4XY -0.03452 0.05300 0.02426 0.00511 0.10984 59 4XZ 0.11132 0.03372 0.07885 0.04969 -0.10361 60 4YZ -0.17213 -0.15756 0.05113 -0.03531 0.10141 61 5 C 1S -0.03293 0.01365 0.02188 0.01080 -0.03844 62 2S -0.51494 0.57487 0.24417 0.36218 -0.52369 63 2PX 0.07839 0.15647 0.10326 -0.13864 -0.04017 64 2PY -0.30541 0.02811 -0.02336 0.04351 -0.07408 65 2PZ 0.20198 0.28001 -0.10598 0.25176 -0.00602 66 3S 1.61437 -1.25953 -0.76095 -0.65447 2.21173 67 3PX -1.16254 -0.52056 -0.51691 0.27367 -0.22477 68 3PY 0.93837 0.25334 0.00626 0.29168 0.50317 69 3PZ -0.80052 -1.78119 0.48838 -1.56440 -0.21339 70 4XX -0.06610 -0.06572 -0.03468 0.07275 -0.01781 71 4YY -0.17268 -0.00302 0.01648 -0.12255 0.10889 72 4ZZ 0.25567 0.00567 0.03807 0.03168 -0.08283 73 4XY -0.11249 0.09299 0.13864 -0.09389 0.06321 74 4XZ 0.16141 0.03397 0.01697 -0.10422 -0.06162 75 4YZ -0.09299 -0.27970 0.00538 -0.19177 0.06709 76 6 C 1S 0.01027 -0.02661 -0.00147 -0.01400 0.00115 77 2S 0.48627 -0.62814 -0.24164 -0.32326 -0.04580 78 2PX -0.05889 0.09428 -0.04778 -0.00182 0.06021 79 2PY 0.17757 -0.00025 -0.00624 0.06121 0.02095 80 2PZ -0.05967 0.08897 0.03336 0.07288 -0.01575 81 3S -0.84701 2.19573 0.18438 1.03916 0.10366 82 3PX 0.91719 0.10724 -0.46021 1.05032 0.10224 83 3PY -1.46582 -0.13257 0.39239 -0.14199 -1.16579 84 3PZ 0.48722 0.14012 -0.17339 -0.14046 0.56781 85 4XX -0.10529 0.16327 -0.05905 -0.00414 0.07599 86 4YY -0.03511 0.00320 -0.00004 0.02856 -0.06750 87 4ZZ 0.13117 -0.17156 0.08744 -0.01497 -0.02354 88 4XY -0.14035 0.03390 0.06839 -0.12323 0.01930 89 4XZ 0.05466 0.06484 0.01352 0.08881 -0.00578 90 4YZ 0.09463 0.00990 -0.10632 0.05004 -0.16677 91 7 C 1S 0.01180 0.00788 -0.02116 0.00996 0.01254 92 2S 0.01727 0.19544 -0.35059 0.09408 0.06374 93 2PX -0.00732 -0.00342 -0.00114 0.02437 0.02769 94 2PY -0.05395 -0.05911 -0.02042 -0.09671 -0.02438 95 2PZ 0.01953 -0.02882 0.01105 0.01083 0.05778 96 3S -1.27131 -1.25049 1.22831 -0.85159 -0.95760 97 3PX -0.28558 -0.12499 0.49626 -0.43352 0.48244 98 3PY -0.39989 -0.35531 0.38472 -0.22758 -0.52945 99 3PZ 0.00376 0.35345 -0.23878 0.16071 -0.24878 100 4XX 0.01151 0.06206 0.02778 0.02404 0.01448 101 4YY -0.02180 0.00742 -0.00123 0.03535 -0.14744 102 4ZZ 0.01318 -0.11451 -0.02309 -0.08775 0.15208 103 4XY 0.01653 0.07770 -0.05362 -0.02263 -0.13133 104 4XZ -0.01232 0.04600 0.08994 -0.17179 -0.21667 105 4YZ -0.03290 -0.21402 0.01211 -0.08627 0.01532 106 8 C 1S -0.02747 -0.01801 0.04540 -0.01280 0.00420 107 2S -0.27127 -0.48241 0.24060 0.05571 0.09270 108 2PX 0.04245 -0.00407 -0.00327 -0.01610 -0.00254 109 2PY 0.00019 -0.09610 -0.02224 0.02800 -0.00447 110 2PZ -0.02188 0.05002 0.01690 -0.03633 -0.01411 111 3S 1.37049 1.35059 -1.78889 0.11704 -0.39816 112 3PX -0.19061 -0.02346 0.03975 -0.35467 -0.07053 113 3PY 0.36047 0.46534 -0.36135 0.01448 0.23043 114 3PZ 0.04180 -0.59135 0.21666 0.33331 0.51401 115 4XX 0.01093 -0.02021 0.12872 -0.00782 -0.03179 116 4YY -0.01414 0.10984 -0.07488 -0.06866 -0.06644 117 4ZZ 0.01379 -0.08141 -0.03572 0.06143 0.10284 118 4XY -0.05051 0.04951 0.10142 -0.02160 -0.13484 119 4XZ 0.12205 0.01329 -0.17344 0.13161 -0.15600 120 4YZ 0.09952 -0.22764 -0.13918 0.10781 -0.04181 121 9 C 1S -0.00131 0.02658 0.01633 -0.01477 -0.01386 122 2S -0.18105 -0.05202 -0.03743 0.08706 -0.22324 123 2PX -0.06646 0.03247 0.25555 0.11076 -0.08536 124 2PY -0.12822 -0.04169 -0.05448 0.01071 0.03571 125 2PZ 0.15001 -0.06133 -0.01519 0.01382 0.04697 126 3S -0.23214 -1.39738 -0.14232 0.06419 0.80178 127 3PX 0.53859 0.34097 -0.83292 -0.36018 0.20630 128 3PY 0.24516 0.30931 -0.64125 -0.52799 -0.15933 129 3PZ -0.63615 0.75372 0.54226 -0.10110 -0.16971 130 4XX 0.05856 0.11470 -0.00647 -0.02611 0.10613 131 4YY -0.12760 0.02210 0.00726 0.05148 0.09166 132 4ZZ 0.05890 -0.13873 0.02019 -0.04797 -0.18794 133 4XY -0.11034 0.12500 0.17435 -0.10775 -0.05518 134 4XZ 0.05149 -0.03759 0.10982 0.16293 0.06759 135 4YZ -0.01977 -0.02014 -0.21514 0.11595 0.12692 136 10 C 1S -0.00221 -0.02187 -0.05818 -0.00249 0.00841 137 2S 0.02809 0.15068 -0.78508 -0.45791 0.24193 138 2PX 0.02709 -0.07950 -0.13366 -0.15137 0.03534 139 2PY 0.08221 -0.05755 -0.00830 -0.03302 0.00271 140 2PZ -0.12592 0.02093 -0.02192 0.04776 0.02556 141 3S 0.18168 0.73069 2.94427 0.53251 -0.73566 142 3PX -0.13674 0.39015 0.67973 0.87792 0.08439 143 3PY 0.09651 -0.15817 0.53123 0.12100 -0.16147 144 3PZ 0.76847 0.91268 -0.15693 0.09964 -0.10303 145 4XX -0.10079 -0.17781 -0.06014 0.04624 0.00083 146 4YY -0.09608 0.07627 -0.03834 -0.13231 -0.07729 147 4ZZ 0.20645 0.06674 0.10298 0.11949 0.07168 148 4XY -0.05493 0.06790 0.03496 -0.03182 -0.07379 149 4XZ 0.05932 0.02199 0.14639 -0.25622 0.01608 150 4YZ -0.06601 -0.03728 -0.15792 -0.06875 0.07837 151 11 C 1S 0.02164 0.00847 0.01594 0.00712 -0.00299 152 2S 0.40522 0.04936 0.48201 0.20605 0.05421 153 2PX -0.04929 -0.01485 0.21552 0.18590 -0.08806 154 2PY -0.02329 0.01505 -0.02306 0.00777 -0.01630 155 2PZ 0.04175 0.01054 -0.08493 -0.01226 0.06181 156 3S -1.26136 -0.42574 -1.80920 -0.46327 0.16074 157 3PX -0.32772 -0.10679 0.13136 -0.05907 0.05290 158 3PY 0.14947 0.15258 0.62632 -0.07833 -0.14356 159 3PZ -0.27803 -0.24315 0.02148 -0.18383 -0.19672 160 4XX -0.07775 0.22660 -0.21467 -0.27535 -0.07227 161 4YY 0.06310 -0.06277 0.03427 0.20038 0.03348 162 4ZZ 0.03010 -0.16995 0.15209 0.08202 0.04210 163 4XY -0.07431 0.05055 0.04676 0.12611 -0.12317 164 4XZ 0.07847 0.19667 0.06833 -0.12129 -0.04246 165 4YZ 0.06005 0.04139 -0.04750 0.00865 0.02886 166 12 H 1S -0.03147 -0.00085 0.02367 0.04472 -0.03312 167 2S 0.09682 -0.05892 0.07753 0.05348 -0.02298 168 13 H 1S 0.09119 0.05122 -0.04555 -0.01167 0.02568 169 2S 0.18628 0.09069 0.09032 0.15739 0.09109 170 14 C 1S -0.03149 -0.00923 0.01707 0.02428 0.01595 171 2S -0.54923 -0.19520 0.13614 0.50383 0.00265 172 2PX 0.00485 0.01355 -0.19028 -0.17279 -0.00538 173 2PY 0.08090 -0.00431 0.12993 0.04343 0.01929 174 2PZ -0.07468 -0.01444 -0.05789 0.02474 -0.03266 175 3S 1.66496 0.77047 -0.54562 -1.46449 -0.36300 176 3PX -0.18436 -0.20361 -0.09592 0.51416 0.12966 177 3PY -0.05614 -0.21694 0.27419 0.56653 0.10632 178 3PZ 0.61481 0.15027 -0.06927 -0.28212 0.11045 179 4XX -0.02861 -0.01274 -0.08363 -0.12388 -0.02150 180 4YY -0.05743 -0.09572 -0.11713 0.25476 0.03442 181 4ZZ 0.09149 0.12543 0.20818 -0.14323 -0.00555 182 4XY 0.00979 0.01261 0.05260 0.01294 -0.12051 183 4XZ -0.01947 -0.06474 0.16292 0.13860 -0.04156 184 4YZ -0.13305 0.00930 -0.24469 -0.02976 -0.05728 185 15 H 1S -0.13768 0.03472 0.04373 -0.07734 0.04666 186 2S -0.04197 0.01107 -0.04972 -0.12431 -0.03709 187 16 H 1S -0.03142 -0.12089 0.09857 0.20696 0.15581 188 2S -0.03213 -0.10046 0.06207 0.22262 0.05269 189 17 C 1S 0.01575 0.01775 -0.03524 -0.03646 -0.01317 190 2S 0.22556 0.33116 -0.67148 -0.69569 -0.06599 191 2PX -0.02712 -0.04797 0.08977 0.11475 -0.03790 192 2PY -0.10130 0.00472 -0.14519 -0.01896 -0.06177 193 2PZ 0.10488 -0.01197 0.05503 -0.01317 0.04519 194 3S -0.81891 -1.12041 1.82301 2.12709 0.51948 195 3PX 0.21709 0.43543 -0.52682 -0.87121 -0.03020 196 3PY -0.36723 0.01607 0.08805 0.13654 -0.04573 197 3PZ -0.21318 -0.01828 -0.28039 0.14427 0.01427 198 4XX 0.02485 -0.19800 -0.04193 0.16531 -0.01844 199 4YY -0.02611 0.13301 -0.00467 -0.18044 -0.13925 200 4ZZ 0.00880 0.05010 0.03939 0.03367 0.15713 201 4XY -0.12742 -0.06809 -0.19048 0.04545 -0.13665 202 4XZ 0.11271 -0.11546 0.07010 0.10215 0.03073 203 4YZ -0.00225 -0.03129 -0.19512 -0.05605 -0.01142 204 18 C 1S 0.00657 -0.01416 -0.00546 0.02102 0.00851 205 2S 0.18407 -0.16492 0.31538 0.21689 0.18294 206 2PX 0.10251 -0.01096 -0.09996 -0.03830 0.11585 207 2PY 0.04354 0.01060 0.04987 -0.01749 0.03845 208 2PZ -0.08926 -0.00031 0.00501 0.02503 -0.04732 209 3S -0.48761 1.02877 -0.50875 -1.19484 -0.78462 210 3PX 0.04733 -0.21036 -0.22931 -0.01873 -0.12055 211 3PY -0.14847 0.27475 -0.17242 -0.33764 -0.23817 212 3PZ 0.38436 -0.29723 0.24642 0.08726 -0.12567 213 4XX 0.03915 0.17617 -0.15547 -0.14512 -0.00988 214 4YY 0.04215 -0.00018 0.20846 -0.02076 -0.03857 215 4ZZ -0.07446 -0.16062 -0.07050 0.16659 0.03793 216 4XY -0.13974 -0.00682 -0.03094 0.05411 -0.13281 217 4XZ 0.10097 0.11206 0.24269 -0.11497 -0.02222 218 4YZ 0.08689 0.07631 0.04768 -0.03617 0.10331 219 19 H 1S 0.06079 -0.09986 -0.07949 0.04276 -0.06016 220 2S 0.11715 -0.14139 0.10932 0.06538 0.01598 221 20 H 1S -0.05574 0.03863 -0.08013 0.05307 0.09364 222 2S -0.07033 0.05819 0.05047 0.06014 0.07509 223 21 H 1S 0.15121 0.10404 0.01257 -0.20472 -0.06679 224 2S 0.15767 0.10605 -0.09663 -0.20252 -0.02935 225 22 H 1S -0.04351 0.02295 -0.14549 -0.01579 -0.08002 226 2S -0.04214 0.00648 -0.03643 0.07031 -0.04122 227 23 H 1S 0.05544 0.01963 -0.18619 0.04359 -0.04046 228 2S 0.31104 0.26863 -0.17738 -0.02702 0.01268 229 24 H 1S 0.04745 0.00580 0.08776 0.02610 -0.05250 230 2S 0.09277 -0.35673 0.09642 0.17103 -0.02137 231 25 H 1S -0.09310 -0.04497 0.25642 0.05023 0.13128 232 2S 0.02518 -0.04772 -0.04232 0.05381 0.12379 233 26 H 1S -0.13282 0.04404 0.17752 -0.14747 -0.15745 234 2S -0.09461 0.02857 0.01183 -0.11268 -0.09907 235 27 H 1S -0.03207 -0.09165 0.11190 -0.12626 0.08788 236 2S -0.03559 0.00840 0.06008 -0.08389 0.08722 237 28 Br 1S 0.00478 0.00140 -0.00692 0.00052 0.00034 238 2S -0.02281 -0.00427 0.03166 0.00029 -0.00593 239 3S 0.00573 -0.00580 -0.00439 -0.00785 0.01524 240 4S 0.10910 0.03325 -0.15807 0.01268 -0.00099 241 5S 0.25455 0.17166 -0.30242 0.07322 -0.18149 242 6S -1.00429 -0.45697 1.21545 -0.23243 0.35199 243 7PX 0.00258 0.00465 -0.00348 0.00055 -0.00113 244 7PY 0.00331 -0.00125 -0.00641 -0.00150 -0.00286 245 7PZ 0.00240 0.00480 -0.00812 0.00326 -0.00411 246 8PX -0.00859 -0.01529 0.01153 -0.00160 0.00359 247 8PY -0.01099 0.00378 0.02131 0.00466 0.00982 248 8PZ -0.00808 -0.01580 0.02699 -0.01048 0.01386 249 9PX 0.03848 0.05905 -0.04683 -0.00785 -0.00831 250 9PY 0.04619 0.01036 -0.09169 0.00184 -0.05805 251 9PZ 0.04087 0.06302 -0.11302 0.03162 -0.06892 252 10PX -0.05729 -0.01843 0.00708 0.08139 -0.03037 253 10PY -0.08906 -0.12731 0.09572 -0.12059 0.10091 254 10PZ -0.12565 0.00764 0.06462 -0.02184 0.04813 255 11XX -0.00235 0.00129 0.00072 -0.00214 -0.00192 256 11YY -0.00390 0.01684 -0.00267 0.02100 -0.01199 257 11ZZ 0.00275 -0.00653 -0.00018 -0.00480 -0.00818 258 11XY 0.00506 0.00102 -0.00054 0.00205 0.00440 259 11XZ -0.00046 -0.00854 0.00311 -0.01009 0.00532 260 11YZ 0.00628 0.00668 -0.00113 0.00836 -0.00743 261 12XX 0.32125 0.15909 -0.44246 0.11457 -0.12474 262 12YY 0.33188 0.02979 -0.42376 -0.06035 -0.06798 263 12ZZ 0.27601 0.23554 -0.46483 0.12471 -0.10585 264 12XY -0.03332 0.00197 -0.00116 -0.01301 -0.02325 265 12XZ 0.01141 0.07151 -0.04541 0.07461 -0.03725 266 12YZ -0.04126 -0.04864 -0.01458 -0.06359 0.03025 267 29 C 1S 0.00327 -0.02981 0.01236 -0.03299 0.00428 268 2S -0.09162 0.04728 0.10151 -0.04280 -0.10966 269 2PX 0.05979 -0.05701 0.04653 -0.02125 0.00116 270 2PY 0.03797 -0.13255 -0.02059 -0.10520 0.02946 271 2PZ 0.05118 -0.15469 -0.01177 -0.13211 0.08906 272 3S -0.06411 1.27397 -0.29547 1.24281 -0.27365 273 3PX -0.04577 0.14331 -0.09484 -0.06170 0.13274 274 3PY -0.31718 -0.24908 0.18851 -0.13623 -0.12063 275 3PZ 0.23152 -0.15176 -0.03521 -0.08561 0.21976 276 4XX -0.07857 0.01708 0.02110 0.02403 -0.16803 277 4YY 0.12280 0.16993 -0.07967 0.09991 0.31644 278 4ZZ -0.03800 -0.21650 0.07741 -0.16103 -0.14073 279 4XY -0.03039 -0.08093 0.05363 -0.01845 -0.07945 280 4XZ 0.03532 0.00616 -0.01364 -0.03989 0.13299 281 4YZ 0.00633 -0.11718 0.06547 -0.11460 -0.00742 282 30 H 1S 0.00830 -0.10161 -0.00392 -0.08240 0.09844 283 2S 0.02988 -0.03328 -0.04179 -0.18889 0.04038 284 31 H 1S -0.04870 -0.09316 0.11441 -0.06913 -0.07729 285 2S -0.09726 -0.13963 0.04674 -0.13889 -0.08308 286 32 H 1S 0.07026 -0.12684 0.03319 -0.15461 0.04499 287 2S 0.10187 -0.10079 -0.01314 -0.09523 0.02349 288 33 H 1S 0.06978 0.21676 0.05028 0.13510 -0.17116 289 2S 0.07053 0.14798 0.05360 0.04850 -0.03740 290 34 H 1S 0.09558 0.13053 -0.02410 0.15671 0.06073 291 2S -0.00052 0.01932 -0.05643 0.07716 0.22022 292 35 H 1S 0.01736 -0.12445 -0.01242 -0.18191 0.12905 293 2S 0.14568 -0.09608 -0.02593 -0.11457 0.04688 294 36 H 1S -0.02792 -0.13020 0.05365 -0.02837 0.01805 295 2S -0.01447 -0.05499 0.03434 0.03998 -0.10618 296 37 H 1S -0.03109 0.10974 -0.00778 0.08014 0.05329 297 2S -0.12942 0.18925 -0.07148 0.13823 -0.10603 298 38 H 1S -0.10630 -0.04600 -0.02949 0.00471 -0.06528 299 2S 0.02143 -0.02074 -0.08157 0.05179 -0.06725 300 39 H 1S 0.08258 0.04312 0.05237 -0.04477 -0.14897 301 2S -0.04827 0.07577 0.10463 0.04172 -0.09114 302 40 H 1S 0.06455 0.12028 0.02828 -0.05654 0.08767 303 2S 0.08839 0.06045 -0.01294 -0.03435 0.25212 231 232 233 234 235 V V V V V Eigenvalues -- 1.79754 1.80603 1.81475 1.82678 1.83698 1 1 C 1S 0.01045 -0.05057 0.03423 0.02810 -0.00450 2 2S 0.11568 -0.53270 0.25915 -0.06774 0.22631 3 2PX 0.08324 0.04728 -0.02568 -0.13463 0.02839 4 2PY -0.03144 -0.05578 0.04387 0.03399 0.00797 5 2PZ 0.03444 0.02760 0.03683 0.06267 -0.09130 6 3S -0.52993 2.19755 -1.58936 -1.10682 -0.16871 7 3PX -0.00460 0.37019 -0.58506 -0.19812 0.28888 8 3PY 0.16688 0.20664 -0.45025 -0.24476 -0.08698 9 3PZ -0.06210 -0.26609 -0.13098 -0.31102 0.45672 10 4XX -0.00579 -0.08410 0.08107 0.21537 0.02067 11 4YY -0.16530 -0.08650 -0.08595 -0.27157 0.18743 12 4ZZ 0.17536 0.18101 0.00169 0.04115 -0.23278 13 4XY 0.07192 0.23275 -0.05550 -0.15277 -0.07607 14 4XZ -0.00956 0.19103 0.01109 -0.04119 -0.06670 15 4YZ -0.11898 -0.01632 -0.13071 -0.20951 0.19395 16 2 C 1S -0.01063 0.03679 0.00773 0.01160 -0.04885 17 2S -0.27376 0.25213 0.14150 -0.11794 -0.17808 18 2PX -0.02232 -0.03875 0.02473 -0.06360 0.05717 19 2PY 0.03787 0.02549 -0.00199 -0.01334 0.04431 20 2PZ -0.00742 -0.05932 0.00362 -0.05849 0.03898 21 3S 0.76220 -1.46157 -0.32870 -0.08533 1.46112 22 3PX 0.08860 -0.37404 -0.11138 0.02717 0.34760 23 3PY 0.05951 0.26105 -0.13237 0.10825 -0.28114 24 3PZ 0.02483 0.14286 0.03044 0.39886 -0.27729 25 4XX -0.02410 0.04689 -0.04425 0.12691 -0.08576 26 4YY -0.04743 0.03017 -0.31702 -0.18450 0.05567 27 4ZZ 0.07859 -0.06916 0.36141 0.07329 0.02105 28 4XY -0.01924 0.03133 -0.02757 0.06819 -0.11201 29 4XZ -0.06051 0.09957 -0.08595 0.15682 -0.13892 30 4YZ -0.14519 -0.06990 -0.09595 -0.09921 0.26166 31 3 C 1S 0.00533 -0.00783 -0.03986 -0.01473 0.02445 32 2S 0.27380 -0.12460 -0.31405 -0.22751 0.31376 33 2PX 0.10436 -0.03734 -0.02614 -0.02456 -0.04332 34 2PY -0.00970 0.04111 -0.03842 0.00725 -0.04300 35 2PZ 0.01084 0.02528 -0.02663 -0.02069 0.02825 36 3S -0.49079 0.32798 1.47507 0.60926 -1.12050 37 3PX 0.01529 -0.11003 0.34552 0.08444 -0.01638 38 3PY 0.23634 -0.33966 -0.03660 -0.16831 0.31291 39 3PZ 0.06015 -0.09688 0.52545 -0.18749 -0.31624 40 4XX -0.17387 -0.05431 -0.05361 0.03028 0.05824 41 4YY 0.09991 0.22245 -0.14278 -0.03772 -0.20476 42 4ZZ 0.06462 -0.17073 0.19228 0.01222 0.14679 43 4XY 0.06614 -0.01490 -0.03085 0.01553 -0.22802 44 4XZ 0.06596 0.17977 -0.06776 0.01169 -0.23320 45 4YZ 0.06895 0.03917 0.07330 -0.13861 -0.07230 46 4 C 1S -0.00462 -0.02825 0.02015 0.02522 0.03009 47 2S 0.04038 -0.27473 0.34632 0.35775 -0.09700 48 2PX -0.14578 0.00896 -0.03189 -0.00041 0.00533 49 2PY 0.09369 0.04547 -0.02106 -0.02843 -0.00690 50 2PZ -0.04437 0.04016 0.08004 0.02401 -0.15508 51 3S -0.38775 1.22569 -0.88113 -1.06894 -0.62811 52 3PX 0.08207 0.08648 0.45729 -0.15934 -0.33830 53 3PY -0.11940 -0.19191 -0.10230 0.01501 0.45606 54 3PZ -0.24100 0.28229 -0.26838 -0.07679 0.29309 55 4XX -0.08273 -0.03347 0.04386 -0.08446 0.05328 56 4YY 0.01607 -0.00856 -0.02256 0.12013 -0.15107 57 4ZZ 0.06846 0.02892 -0.04882 -0.05008 0.13423 58 4XY 0.07712 0.04664 -0.00692 -0.14590 -0.17830 59 4XZ 0.21367 -0.01728 0.16937 -0.20568 -0.14462 60 4YZ 0.03247 0.00162 0.00071 -0.05695 -0.17768 61 5 C 1S -0.00452 0.00899 -0.00353 -0.03872 -0.03479 62 2S -0.22198 0.23075 -0.24252 -0.79459 -0.85819 63 2PX 0.05444 -0.22223 -0.02036 -0.22876 0.15820 64 2PY -0.17205 0.14981 0.07602 -0.01171 -0.06644 65 2PZ 0.04524 0.07004 -0.07375 -0.07250 0.03894 66 3S 1.18303 -0.45867 0.61205 2.41694 2.21509 67 3PX -0.78305 0.91408 0.72362 1.28147 -0.65328 68 3PY 0.13447 -1.21359 -0.35995 0.10928 0.15477 69 3PZ -0.21090 -0.09405 0.09144 0.24419 -0.13404 70 4XX -0.06054 -0.02875 -0.05890 0.00179 -0.01832 71 4YY 0.00532 0.01969 0.09215 0.06503 -0.04222 72 4ZZ 0.07837 -0.00336 -0.01637 -0.01663 0.11757 73 4XY -0.01520 -0.12924 -0.03533 -0.09180 -0.01930 74 4XZ 0.07548 -0.08652 0.04500 -0.04046 0.10128 75 4YZ 0.04223 -0.07947 0.02579 0.09417 -0.01608 76 6 C 1S 0.00648 0.02577 -0.00963 -0.00342 0.01412 77 2S 0.36346 0.55140 -0.36369 0.06395 0.27544 78 2PX 0.08482 -0.07124 0.09241 0.25879 -0.01139 79 2PY 0.10420 0.02816 -0.07361 -0.15280 -0.14045 80 2PZ -0.03648 0.01370 -0.00941 -0.03925 -0.05402 81 3S -1.08978 -1.68717 0.75564 0.49273 -0.81933 82 3PX -0.65222 0.36938 -1.12878 -1.05847 0.38214 83 3PY -0.73464 -0.01899 1.09540 0.54196 -0.17937 84 3PZ 0.38484 -0.23460 0.03278 0.19158 0.30737 85 4XX -0.09460 -0.11249 0.03121 0.20957 0.02863 86 4YY 0.07574 -0.00414 0.03907 -0.23604 -0.01812 87 4ZZ -0.02810 0.11489 -0.05624 -0.01823 -0.02012 88 4XY -0.02757 0.08303 -0.03818 -0.08920 0.08674 89 4XZ 0.07497 0.15311 -0.02069 -0.22244 0.03209 90 4YZ -0.04892 0.11201 -0.12787 -0.07510 0.01582 91 7 C 1S -0.01841 -0.00046 -0.00881 0.01457 0.01646 92 2S -0.51216 0.11774 -0.17575 0.28688 0.22872 93 2PX -0.05866 -0.01338 -0.03007 -0.10247 -0.04398 94 2PY -0.10516 0.08555 0.01885 0.14003 0.08735 95 2PZ 0.05002 -0.05766 0.02049 -0.07562 -0.02875 96 3S 0.81127 0.06791 0.97612 -0.20623 -0.66787 97 3PX 0.79293 -0.26876 0.14546 0.15298 -0.02919 98 3PY 0.36444 -0.02609 0.19800 -0.30380 -0.34403 99 3PZ -0.31772 0.16160 -0.32057 0.31613 0.11976 100 4XX 0.12139 0.01017 0.07578 0.19529 0.11732 101 4YY -0.04086 0.01350 -0.04592 -0.14695 -0.11282 102 4ZZ -0.06287 -0.01900 -0.04720 -0.07153 -0.01700 103 4XY 0.04510 -0.08061 -0.18347 0.04869 -0.05946 104 4XZ 0.09406 -0.06680 -0.04896 -0.10407 -0.11714 105 4YZ 0.03343 0.12878 -0.14641 -0.08939 0.07295 106 8 C 1S 0.02340 0.00430 0.00223 -0.00127 0.00793 107 2S 0.09154 -0.20874 -0.11798 -0.28658 -0.13769 108 2PX 0.13755 -0.07039 0.07758 -0.00511 -0.02549 109 2PY -0.00746 -0.05441 -0.00834 -0.05926 -0.05536 110 2PZ 0.02349 0.05505 0.00151 0.05172 0.02626 111 3S -1.18556 0.33055 0.10727 0.48184 -0.03702 112 3PX -0.12304 -0.04595 0.17173 0.12287 -0.28502 113 3PY -0.25451 0.28483 0.30110 0.36216 0.26534 114 3PZ -0.05485 -0.03091 0.16902 -0.16079 0.21532 115 4XX 0.05913 -0.00535 0.07703 0.11556 0.06102 116 4YY -0.05709 0.03083 0.00903 -0.05864 -0.02310 117 4ZZ -0.00269 0.00042 -0.08423 -0.05970 -0.02751 118 4XY -0.13502 0.08433 0.02499 -0.03710 -0.01357 119 4XZ -0.10942 0.00103 -0.07870 0.05289 0.07621 120 4YZ -0.12257 -0.20751 -0.14398 -0.20344 -0.14687 121 9 C 1S 0.02911 -0.00623 0.04831 -0.01566 -0.01965 122 2S 0.64955 -0.20831 0.42570 -0.04464 -0.35583 123 2PX -0.01131 0.07502 0.00699 0.03148 0.02859 124 2PY 0.04412 0.05033 0.10061 0.03324 0.02825 125 2PZ -0.09599 -0.01800 -0.02054 -0.04600 0.03184 126 3S -1.89128 0.70111 -1.57086 0.47809 1.04198 127 3PX -0.14801 0.51090 -0.32589 0.13392 0.19349 128 3PY -0.79695 -0.26731 -0.05282 0.37562 -0.43221 129 3PZ 1.32683 -0.17640 -0.05625 -0.18103 -0.21437 130 4XX -0.06254 -0.02511 0.07605 -0.05207 0.00830 131 4YY 0.09529 0.12824 0.02613 0.08262 0.15902 132 4ZZ -0.06947 -0.07683 -0.08807 -0.04290 -0.15232 133 4XY 0.04613 0.15094 -0.01133 0.14133 0.05705 134 4XZ -0.15978 0.02501 0.02097 0.01047 -0.02287 135 4YZ 0.12405 -0.04654 -0.06836 -0.01948 0.05102 136 10 C 1S -0.05847 -0.00310 0.00707 0.03124 -0.03432 137 2S -0.71280 -0.06093 0.38076 0.19989 -0.33271 138 2PX -0.16145 0.03731 0.04394 0.11238 -0.06241 139 2PY -0.14281 0.07012 0.07829 -0.06159 -0.00116 140 2PZ 0.13913 -0.05221 0.02401 0.03727 0.03912 141 3S 3.01775 0.02889 -1.12118 -1.74720 1.17720 142 3PX 1.08759 0.83937 0.10183 -0.00827 0.76658 143 3PY -0.31299 0.03000 -0.60014 -0.36845 0.24664 144 3PZ 0.21660 -0.09761 -0.18228 -0.57210 -0.39721 145 4XX 0.04443 0.03879 0.03718 0.09122 -0.00767 146 4YY 0.08383 0.03684 -0.18057 0.00106 -0.03476 147 4ZZ -0.12391 -0.05345 0.10586 -0.10354 0.02568 148 4XY 0.19209 -0.16600 -0.08654 -0.05984 0.04928 149 4XZ -0.03470 -0.00466 0.08504 -0.05801 0.07542 150 4YZ 0.09847 0.10810 0.05527 0.01973 0.08925 151 11 C 1S 0.01305 0.01879 -0.03933 -0.00547 0.04272 152 2S -0.11140 0.36106 -0.54483 0.25987 0.54339 153 2PX 0.14688 -0.03111 -0.18512 -0.00043 0.05601 154 2PY 0.07402 -0.09080 0.01132 -0.05893 -0.01803 155 2PZ -0.06545 0.08301 0.03855 0.02089 0.02254 156 3S -0.17895 -1.07269 2.05588 0.09305 -2.10169 157 3PX 0.23060 -0.07397 0.44410 0.06143 -0.13450 158 3PY 0.11551 0.64259 -0.32723 -0.17235 0.46990 159 3PZ -0.30545 -0.41348 0.00117 0.14317 -0.21899 160 4XX 0.12136 0.15587 0.00973 0.00374 -0.01427 161 4YY -0.05079 -0.27383 -0.15562 -0.01978 -0.06227 162 4ZZ -0.05876 0.10065 0.14963 0.00434 0.06856 163 4XY 0.13436 -0.07357 -0.23852 0.15826 -0.03172 164 4XZ -0.08719 0.00576 -0.11991 0.09603 -0.11515 165 4YZ -0.10107 0.05033 0.02887 -0.03998 0.01061 166 12 H 1S 0.05968 -0.00279 -0.12041 0.01029 0.07726 167 2S -0.18520 -0.21123 -0.11433 0.16349 0.12578 168 13 H 1S 0.15017 0.11484 -0.12558 -0.06279 0.21336 169 2S 0.04784 0.12231 -0.21311 0.11430 0.19731 170 14 C 1S 0.04197 0.00186 0.05017 -0.00796 -0.00442 171 2S 0.75481 -0.19032 0.36197 0.05305 -0.10246 172 2PX -0.07166 0.00055 0.07874 -0.06867 -0.04597 173 2PY -0.08132 0.07160 -0.07917 0.05373 0.04501 174 2PZ 0.05275 -0.04232 -0.00756 0.01783 -0.02519 175 3S -2.19761 0.25771 -1.79136 -0.00839 0.37373 176 3PX 0.13076 -0.37658 0.26291 0.12147 -0.26066 177 3PY 0.41551 -0.41023 0.02117 -0.23995 0.11960 178 3PZ -0.55652 -0.05919 -0.17810 -0.19646 0.04688 179 4XX -0.10078 -0.15377 0.07242 -0.09400 -0.14479 180 4YY 0.04984 0.15421 -0.04357 0.08594 0.16208 181 4ZZ 0.04569 0.00222 -0.02277 -0.01180 -0.01187 182 4XY 0.01862 -0.17859 -0.21032 0.07241 -0.08596 183 4XZ -0.12742 -0.10646 -0.12478 0.19101 -0.12714 184 4YZ 0.17625 0.03521 0.01414 -0.02256 0.05451 185 15 H 1S 0.14767 0.17438 0.23808 -0.00386 0.00725 186 2S 0.02147 0.12817 0.01166 0.03946 -0.00877 187 16 H 1S 0.06169 -0.10126 0.25638 -0.11899 -0.02642 188 2S 0.17827 -0.15515 0.12626 -0.09027 -0.03087 189 17 C 1S -0.05980 -0.02515 -0.01089 0.01537 -0.03511 190 2S -0.72163 -0.31893 0.09466 -0.02599 -0.40522 191 2PX 0.06525 0.00683 -0.05391 0.01590 0.02217 192 2PY 0.08359 -0.09771 -0.00510 0.01082 -0.06260 193 2PZ -0.14721 0.02749 -0.00708 0.01653 0.01477 194 3S 2.59388 1.12572 0.10474 -0.14165 1.51774 195 3PX -0.55509 -0.32880 0.13815 -0.05762 -0.41682 196 3PY 0.15872 0.34262 0.37383 0.04686 -0.02739 197 3PZ 0.15019 0.34981 -0.04299 0.03146 0.13949 198 4XX -0.03908 -0.10620 -0.07703 0.00520 -0.00642 199 4YY 0.11835 0.16895 -0.14999 0.11923 0.11131 200 4ZZ -0.08307 -0.07121 0.21515 -0.11972 -0.10135 201 4XY 0.07034 -0.07937 -0.11204 0.07920 -0.06593 202 4XZ -0.21167 0.04092 -0.00842 0.08374 0.02812 203 4YZ 0.05237 0.03127 0.06249 -0.08541 0.09093 204 18 C 1S 0.01912 0.03428 -0.03646 0.00380 0.04293 205 2S 0.02167 0.68809 -0.25627 0.12781 0.59477 206 2PX -0.10420 -0.07802 0.02596 -0.09302 -0.00051 207 2PY -0.04239 0.11020 0.03317 -0.00299 0.06283 208 2PZ 0.07612 -0.03321 0.01211 0.02745 -0.06366 209 3S -0.38917 -1.98271 1.32121 -0.29928 -2.14722 210 3PX -0.50751 0.40252 -0.24771 0.24299 0.17030 211 3PY 0.01273 -0.66621 0.13978 -0.07289 -0.51433 212 3PZ -0.10105 0.03727 -0.10621 -0.03182 0.31647 213 4XX 0.03309 0.01303 -0.09629 -0.00336 -0.01146 214 4YY 0.13426 -0.17292 -0.15526 -0.01045 0.01761 215 4ZZ -0.15915 0.14222 0.24198 -0.00939 -0.01381 216 4XY 0.00689 0.09127 -0.12818 0.16469 -0.01814 217 4XZ -0.12132 0.01088 -0.08212 0.01858 -0.06359 218 4YZ -0.05510 0.02132 0.05646 -0.03945 0.05671 219 19 H 1S 0.11120 0.09763 -0.21900 0.03143 0.18971 220 2S -0.03999 0.11902 -0.11743 0.02383 0.20777 221 20 H 1S 0.13678 0.10115 -0.10179 0.02301 0.12862 222 2S 0.09124 -0.03405 0.00503 0.01033 -0.02180 223 21 H 1S -0.23929 -0.21510 -0.14570 0.07152 -0.18038 224 2S -0.26710 -0.21256 -0.04930 -0.03002 -0.12794 225 22 H 1S -0.21299 0.01943 -0.03178 0.13513 -0.11899 226 2S 0.00665 0.07224 0.02593 -0.04165 0.01954 227 23 H 1S -0.24468 -0.00962 -0.05797 0.07629 -0.22342 228 2S -0.25875 -0.05563 -0.09914 -0.10881 -0.13901 229 24 H 1S 0.02483 -0.03387 0.29354 -0.11281 -0.02202 230 2S 0.00023 -0.00315 0.20756 -0.02708 0.02738 231 25 H 1S 0.07385 0.13853 0.13466 0.12823 0.17482 232 2S -0.00218 0.01332 0.01482 -0.01647 0.08360 233 26 H 1S 0.11787 -0.03499 0.00046 0.01273 -0.03391 234 2S 0.03956 -0.02698 -0.07442 -0.04516 -0.09532 235 27 H 1S 0.10111 -0.00170 -0.01504 -0.13507 0.03461 236 2S 0.19934 -0.11137 0.09752 -0.01079 -0.09978 237 28 Br 1S -0.00307 -0.00317 0.00037 0.00520 0.00392 238 2S 0.01451 0.01984 -0.00037 -0.02440 -0.01997 239 3S -0.00321 -0.02026 -0.00297 0.00673 0.00991 240 4S -0.07095 -0.06247 0.00516 0.11220 0.08406 241 5S -0.10839 -0.05072 0.01470 -0.08320 -0.20452 242 6S 0.44678 0.37201 -0.09538 -0.14868 0.18966 243 7PX -0.00240 -0.00075 -0.00167 0.00245 0.00028 244 7PY -0.00288 0.00147 0.00099 0.00440 0.00394 245 7PZ -0.00414 0.00200 -0.00011 0.00699 0.00372 246 8PX 0.00792 0.00249 0.00561 -0.00784 -0.00099 247 8PY 0.00976 -0.00496 -0.00330 -0.01424 -0.01266 248 8PZ 0.01373 -0.00679 0.00073 -0.02274 -0.01195 249 9PX -0.02675 -0.01313 -0.02853 0.01401 0.00462 250 9PY -0.05300 0.01827 0.01540 0.03746 0.02351 251 9PZ -0.05086 0.02871 -0.01480 0.06863 0.02059 252 10PX -0.04898 0.04658 0.02631 0.10292 0.01208 253 10PY 0.07482 0.03464 0.00390 0.13331 0.16690 254 10PZ -0.05867 0.02639 -0.02693 0.15626 0.18091 255 11XX 0.00583 0.00695 0.00842 0.01035 0.00200 256 11YY -0.01037 0.00920 0.00240 -0.00324 -0.00397 257 11ZZ 0.00609 0.00993 -0.00347 -0.00788 -0.00689 258 11XY -0.00334 -0.00146 -0.00385 -0.01202 0.00126 259 11XZ 0.00772 -0.00264 -0.00137 -0.00893 0.00246 260 11YZ 0.00038 -0.00026 -0.00280 -0.01469 -0.01517 261 12XX -0.22562 -0.11132 -0.02024 0.12132 0.04970 262 12YY -0.10767 -0.10987 0.02983 0.22207 0.11243 263 12ZZ -0.24719 -0.11171 0.02935 0.27936 0.13560 264 12XY 0.01562 0.00689 0.02914 0.09517 -0.00633 265 12XZ -0.07658 0.02111 -0.00360 0.07735 -0.00573 266 12YZ -0.02261 0.02542 0.02259 0.12888 0.12965 267 29 C 1S -0.00209 -0.02964 -0.00072 0.02174 0.02545 268 2S -0.14254 -0.15649 -0.14197 -0.10375 0.17520 269 2PX 0.02719 -0.03505 -0.04549 0.02501 -0.02256 270 2PY 0.05410 -0.03770 0.03982 0.06521 0.02466 271 2PZ 0.02690 -0.05868 0.03857 0.12759 0.04725 272 3S 0.16315 1.03793 0.13550 -0.70867 -0.89528 273 3PX -0.03270 -0.26817 0.11918 -0.20106 0.35873 274 3PY -0.28426 0.05006 0.14789 0.22371 0.03801 275 3PZ 0.08462 -0.24130 -0.14346 0.18365 0.21887 276 4XX -0.13327 0.19880 0.06425 0.06080 -0.10989 277 4YY 0.18929 -0.29892 -0.15113 0.03375 0.02692 278 4ZZ -0.05597 0.06674 0.09905 -0.03775 0.09358 279 4XY -0.05043 -0.00144 0.05502 0.03520 -0.02484 280 4XZ -0.00301 -0.00169 -0.02908 0.22063 -0.09387 281 4YZ 0.09671 -0.08613 0.04130 0.07170 0.01250 282 30 H 1S -0.00738 -0.15099 0.01334 0.05692 0.11660 283 2S -0.00208 -0.19529 -0.00395 -0.05946 0.23421 284 31 H 1S -0.00071 -0.08734 0.07526 0.06590 0.05696 285 2S -0.12417 0.03367 -0.05283 0.04259 -0.02528 286 32 H 1S 0.06283 -0.03724 -0.07771 0.05811 0.09426 287 2S 0.09530 -0.09457 -0.05651 0.00622 -0.03947 288 33 H 1S -0.09375 -0.12579 0.06029 0.10203 0.25463 289 2S -0.01265 -0.10915 0.01896 0.11633 0.21509 290 34 H 1S -0.02504 -0.10466 0.06945 0.13788 0.17027 291 2S 0.14200 0.00261 0.03346 0.08417 -0.11384 292 35 H 1S -0.11244 0.00725 -0.33258 0.08537 0.15822 293 2S 0.03464 0.06842 -0.22828 -0.00401 0.11903 294 36 H 1S 0.04651 -0.02865 -0.03390 -0.15050 -0.01282 295 2S 0.03950 -0.01550 0.10493 -0.05519 -0.04509 296 37 H 1S 0.05563 0.28649 -0.01100 0.13958 -0.41696 297 2S -0.12699 0.17583 0.04801 0.09687 -0.20791 298 38 H 1S -0.06865 0.05120 0.02535 -0.00073 -0.10449 299 2S -0.07911 -0.02538 0.00102 -0.02640 0.09989 300 39 H 1S 0.07025 -0.24122 0.28581 0.32039 -0.11479 301 2S -0.00230 -0.14982 0.24844 0.13605 -0.02469 302 40 H 1S 0.07841 -0.17808 0.05452 0.15879 -0.00381 303 2S 0.10552 -0.05165 -0.14482 -0.03074 0.04298 236 237 238 239 240 V V V V V Eigenvalues -- 1.85861 1.86663 1.89030 1.89826 1.90574 1 1 C 1S 0.02003 0.02896 0.02825 0.01623 -0.00199 2 2S 0.00695 0.18707 0.13546 0.19129 0.02312 3 2PX -0.05258 0.02730 -0.02601 0.00622 0.04172 4 2PY 0.01108 -0.01268 -0.01749 0.00611 -0.02243 5 2PZ 0.05866 0.01530 0.03795 0.00412 -0.00358 6 3S -0.40043 -0.99532 -1.19881 -0.89786 0.22247 7 3PX -0.10602 -0.25492 -0.51074 -0.38314 0.10419 8 3PY -0.24429 0.02668 -0.30410 -0.04387 0.07372 9 3PZ -0.24817 0.09204 0.11015 0.02980 -0.12384 10 4XX 0.07813 0.07964 0.00986 -0.02840 0.09826 11 4YY -0.09545 -0.07195 0.16733 0.08394 -0.09546 12 4ZZ 0.02482 -0.01345 -0.16243 -0.05668 -0.00494 13 4XY -0.12504 -0.00388 -0.00105 0.02113 0.12170 14 4XZ -0.08014 0.21167 0.04739 0.01398 0.04164 15 4YZ -0.10680 -0.16106 -0.02082 -0.04424 -0.10624 16 2 C 1S 0.01227 0.00857 -0.01061 -0.00165 -0.00028 17 2S 0.11120 -0.37376 -0.09411 -0.09049 0.01259 18 2PX 0.01903 -0.07573 0.01220 -0.01898 0.01670 19 2PY 0.00012 -0.06491 -0.02429 -0.04376 0.00618 20 2PZ -0.01722 -0.03740 -0.00859 0.03605 -0.00730 21 3S -0.34019 0.53038 0.56052 0.18300 -0.02233 22 3PX -0.09028 0.29769 0.51087 0.19918 -0.05566 23 3PY 0.01114 0.22109 -0.04021 -0.03881 0.07865 24 3PZ 0.11882 0.33058 0.02763 -0.15031 -0.08659 25 4XX -0.00914 0.07780 -0.00106 -0.03506 -0.00974 26 4YY -0.11056 0.11986 -0.08409 0.00008 -0.13314 27 4ZZ 0.11887 -0.17919 0.08676 0.03276 0.13211 28 4XY 0.00912 0.22636 0.12743 0.08475 0.05873 29 4XZ -0.00012 0.20114 0.19109 -0.02968 -0.06269 30 4YZ -0.09492 -0.24832 -0.00745 -0.08876 -0.06816 31 3 C 1S -0.01183 0.02672 0.00040 -0.00151 0.00927 32 2S 0.05421 -0.28255 0.05071 -0.17557 -0.03213 33 2PX 0.07145 -0.01425 0.04558 0.00959 -0.06774 34 2PY -0.03523 0.14241 -0.02239 0.02994 0.00827 35 2PZ -0.00593 -0.01747 -0.06453 -0.03991 0.01196 36 3S 0.28311 -0.21234 -0.13706 0.29811 -0.20313 37 3PX -0.13166 0.05156 -0.06759 0.13600 0.08546 38 3PY 0.10916 -0.31263 0.40125 0.01714 0.00682 39 3PZ 0.18632 -0.39451 0.04691 0.30459 0.12803 40 4XX -0.12780 0.21415 0.01418 0.07334 0.09918 41 4YY -0.04774 0.12357 -0.25359 -0.04324 -0.03448 42 4ZZ 0.17691 -0.31903 0.23760 -0.02549 -0.06880 43 4XY 0.13672 0.01557 0.15084 0.07901 -0.07864 44 4XZ 0.02534 -0.17581 0.08106 -0.04453 -0.14544 45 4YZ 0.09957 -0.22670 -0.05634 -0.02129 -0.01168 46 4 C 1S -0.01472 0.01658 0.00233 0.00827 0.00113 47 2S 0.31190 -0.06370 0.21110 0.12735 -0.05984 48 2PX 0.02754 0.09072 -0.07623 -0.01011 0.10255 49 2PY -0.08074 -0.04463 -0.02267 -0.04449 -0.03110 50 2PZ 0.13361 -0.04215 -0.00704 0.02356 0.01682 51 3S 0.45502 -0.12393 -0.55728 -0.42684 0.12736 52 3PX 0.26419 -0.05339 -0.04254 0.09229 -0.21017 53 3PY -0.13476 0.03630 -0.06212 0.18656 -0.08615 54 3PZ -0.03604 0.23504 -0.18307 -0.21841 -0.09575 55 4XX -0.06506 0.13791 -0.04294 0.10229 0.09196 56 4YY 0.05745 -0.05051 -0.09461 -0.13656 0.01589 57 4ZZ -0.01718 -0.07841 0.13471 0.01549 -0.12513 58 4XY 0.16584 -0.24242 0.01506 0.01803 -0.15527 59 4XZ 0.19505 -0.15923 -0.02347 0.06517 -0.03641 60 4YZ 0.12708 -0.10421 0.18849 0.07892 0.01667 61 5 C 1S 0.03789 0.00410 -0.01982 -0.01638 -0.01643 62 2S 0.58387 0.24306 -0.13874 -0.21825 0.18796 63 2PX 0.07657 0.07702 -0.01610 0.02658 0.06428 64 2PY 0.06986 -0.11018 0.02769 0.10219 -0.07098 65 2PZ -0.12526 -0.05957 0.04635 -0.00302 -0.01823 66 3S -2.44113 -0.49210 0.34925 0.97813 0.35520 67 3PX -0.37801 -0.67175 -0.31796 -0.11003 -0.38859 68 3PY -0.10192 0.30389 -0.05652 -0.57085 0.01518 69 3PZ 0.86845 0.55003 -0.44596 -0.26136 0.41049 70 4XX 0.02206 -0.12054 -0.13879 -0.05379 -0.00841 71 4YY 0.07355 -0.05760 0.24059 0.08950 -0.02261 72 4ZZ -0.12507 0.13395 -0.11085 -0.02460 -0.03624 73 4XY 0.20528 0.00490 -0.20828 -0.11783 -0.07429 74 4XZ -0.01635 -0.02865 -0.26221 -0.13549 -0.09618 75 4YZ 0.03667 -0.08840 0.09400 -0.00006 -0.02233 76 6 C 1S -0.01698 -0.00181 -0.00825 -0.00776 0.00168 77 2S -0.68665 -0.17351 -0.09723 -0.24213 -0.12486 78 2PX -0.04074 -0.02396 0.02846 -0.03252 -0.01474 79 2PY -0.16518 0.18969 -0.03423 0.01114 0.06989 80 2PZ 0.05731 -0.01348 -0.02860 -0.01637 0.01063 81 3S 1.15590 0.56069 0.58441 0.40601 -0.13043 82 3PX 0.28923 -0.33774 -0.61075 -0.56806 0.14687 83 3PY 0.74290 -0.77281 0.27825 -0.09614 -0.84113 84 3PZ -0.25769 -0.04740 0.21139 0.30208 0.01521 85 4XX 0.12390 0.03304 0.03185 -0.02567 -0.07751 86 4YY -0.04109 -0.05360 0.10008 0.11477 0.05997 87 4ZZ -0.02227 0.03539 -0.12551 -0.05319 0.05067 88 4XY -0.01858 -0.06029 -0.10217 -0.03553 -0.14131 89 4XZ -0.07870 -0.06217 -0.02574 0.02744 0.04669 90 4YZ -0.03695 -0.08114 0.13971 -0.06681 -0.06919 91 7 C 1S -0.01032 -0.00414 0.01579 0.00484 -0.00162 92 2S -0.02003 -0.01406 0.24786 0.03039 -0.17781 93 2PX 0.07873 0.02049 0.00678 0.05816 0.03175 94 2PY -0.01322 -0.05856 0.00014 -0.04182 -0.11022 95 2PZ 0.01773 0.00694 -0.00518 0.02930 0.05530 96 3S 0.46096 -0.32988 -0.75421 -0.11698 -0.02290 97 3PX -0.37846 0.41059 -0.21188 0.13558 0.34456 98 3PY -0.07164 0.06984 0.19556 -0.05295 -0.08717 99 3PZ 0.01011 0.13102 -0.00338 -0.23287 -0.03761 100 4XX -0.07211 -0.06013 -0.05840 -0.07388 0.01973 101 4YY -0.03303 0.18689 0.14901 0.05682 0.00704 102 4ZZ 0.09728 -0.15226 -0.12860 0.00973 -0.02915 103 4XY 0.06693 0.00924 0.05138 -0.09504 -0.06284 104 4XZ -0.03676 -0.03284 0.06033 -0.06586 -0.18618 105 4YZ -0.13801 -0.06491 0.03894 -0.03192 0.02392 106 8 C 1S 0.01814 0.00494 -0.03173 -0.00659 0.01683 107 2S 0.33505 0.13996 -0.26465 0.04383 0.33645 108 2PX -0.12841 -0.03739 0.03291 -0.02051 -0.01836 109 2PY -0.00138 0.00223 0.04393 -0.00629 0.03000 110 2PZ -0.01515 -0.05120 -0.01781 -0.02495 0.02333 111 3S -0.95765 -0.53327 1.32083 -0.08970 -1.14418 112 3PX -0.11851 0.09320 -0.24571 0.02032 -0.02473 113 3PY -0.13181 -0.01438 0.09216 0.19988 -0.29420 114 3PZ 0.22640 0.27116 -0.05411 0.40206 0.20138 115 4XX -0.04942 -0.01126 -0.08703 -0.08685 0.01423 116 4YY 0.01640 0.07718 0.01365 -0.00377 -0.18319 117 4ZZ 0.01334 -0.07811 0.08279 0.08478 0.13389 118 4XY 0.04485 0.08025 0.02381 -0.07712 -0.20865 119 4XZ 0.08638 -0.00149 0.18077 -0.03216 -0.15430 120 4YZ 0.01427 0.04496 0.06071 0.05371 0.01511 121 9 C 1S -0.06806 0.01411 0.00698 0.00476 -0.04998 122 2S -1.15722 -0.06190 0.31887 -0.17529 -0.43664 123 2PX -0.03589 -0.01081 0.07026 -0.07491 -0.14150 124 2PY -0.03748 0.04416 -0.10842 -0.00687 -0.01549 125 2PZ 0.10098 0.04543 0.01474 0.13765 0.02928 126 3S 3.82458 -0.05885 -1.28510 0.15100 2.17198 127 3PX 0.43052 -0.11304 0.42630 0.16091 -0.07990 128 3PY -0.07797 -0.42716 -0.08942 -0.38092 0.26238 129 3PZ -0.76080 -0.22394 0.20177 -0.51831 -0.00127 130 4XX -0.00400 0.04523 0.05431 0.06202 0.01187 131 4YY 0.03257 -0.01224 -0.08327 -0.03837 0.09381 132 4ZZ 0.02053 -0.02467 0.00149 0.00382 -0.11354 133 4XY -0.09249 -0.04392 0.09182 -0.07944 -0.07181 134 4XZ -0.07431 -0.02668 0.32615 -0.01478 0.02871 135 4YZ 0.02211 -0.03296 0.05157 0.06436 0.08885 136 10 C 1S -0.03059 -0.03511 -0.01495 0.00064 0.02814 137 2S -0.32067 -0.36545 -0.65023 0.21571 0.39462 138 2PX -0.07940 -0.11140 0.04859 0.12513 -0.00029 139 2PY 0.03748 -0.03549 -0.05149 0.11398 0.00245 140 2PZ -0.00516 0.05337 -0.13413 -0.06218 0.09263 141 3S 1.40390 1.61546 1.73723 -0.46341 -1.05687 142 3PX -0.39861 -0.10437 0.57288 0.31732 -0.29996 143 3PY 1.14009 0.40777 0.26842 -0.16348 0.24139 144 3PZ -0.72572 -0.13102 0.95380 0.12189 -0.72209 145 4XX -0.02949 0.01722 0.02916 -0.02170 0.01461 146 4YY 0.09724 -0.08689 0.06426 -0.26952 0.18221 147 4ZZ -0.07482 0.04730 -0.01707 0.27827 -0.22941 148 4XY -0.00816 0.13695 0.06465 -0.14947 0.02740 149 4XZ 0.11194 0.12042 -0.03213 0.06525 -0.03170 150 4YZ 0.03357 -0.07135 -0.03965 0.00464 -0.05964 151 11 C 1S 0.06784 0.02003 0.03132 -0.02077 0.01273 152 2S 0.84868 0.01275 0.10286 0.26801 -0.14978 153 2PX 0.03938 0.03913 0.03720 0.00904 -0.03578 154 2PY -0.08181 0.06364 0.04793 -0.13082 0.02940 155 2PZ 0.04559 -0.02390 0.03113 -0.00364 0.01653 156 3S -3.24648 -0.71794 -1.04206 -0.06186 -0.12926 157 3PX -0.25780 0.09695 -0.06019 -0.14396 -0.18105 158 3PY 0.74622 0.00100 0.28737 0.61591 -0.01035 159 3PZ -0.04103 0.04968 -0.74956 0.15264 0.11906 160 4XX -0.08322 -0.07020 0.10577 -0.01503 0.15815 161 4YY 0.16914 0.13083 0.00226 -0.42168 -0.07701 162 4ZZ -0.10710 -0.05122 -0.08663 0.40953 -0.07186 163 4XY -0.04342 -0.00425 0.01574 0.01277 -0.05639 164 4XZ -0.12408 -0.13868 -0.01747 0.31724 -0.21080 165 4YZ 0.00582 -0.00507 0.02091 0.04021 -0.06637 166 12 H 1S 0.25911 0.10729 0.02054 -0.20025 0.05241 167 2S -0.04025 0.08721 -0.21673 -0.03885 0.02885 168 13 H 1S 0.30033 0.10392 0.24754 -0.30612 0.16314 169 2S 0.18495 -0.00457 0.14540 -0.00645 -0.11027 170 14 C 1S -0.05406 -0.00100 0.00031 -0.01884 0.00227 171 2S -0.69359 0.09796 -0.10144 0.15230 -0.46376 172 2PX 0.03500 0.02413 -0.00566 -0.04985 0.04980 173 2PY 0.08534 -0.03854 0.00328 -0.00350 0.01340 174 2PZ -0.00029 0.03273 -0.05101 0.07116 -0.10826 175 3S 2.43706 -0.10061 0.20729 0.26985 0.79251 176 3PX -0.68198 -0.10695 -0.12901 -0.19331 -0.17440 177 3PY -0.06824 0.21575 -0.06177 -0.33908 0.01262 178 3PZ 0.20752 -0.09733 0.33676 -0.20742 0.52990 179 4XX -0.02400 0.00317 -0.09818 -0.11336 0.12122 180 4YY 0.22939 0.09117 -0.07161 0.02392 -0.19829 181 4ZZ -0.18455 -0.09126 0.18175 0.08089 0.10050 182 4XY 0.03049 0.01830 -0.06685 0.14623 -0.24310 183 4XZ -0.09531 -0.14197 -0.20343 0.15585 -0.03780 184 4YZ 0.04124 0.12429 -0.01334 0.16471 -0.22350 185 15 H 1S -0.24545 -0.05888 0.07219 0.04870 0.10088 186 2S 0.00935 -0.02600 0.03075 0.09805 -0.00600 187 16 H 1S -0.20674 0.00517 0.00725 -0.31564 0.15559 188 2S -0.24642 0.04632 0.06325 -0.06580 -0.02632 189 17 C 1S -0.01623 -0.02571 -0.01199 0.00004 0.02828 190 2S -0.09214 0.01121 -0.13408 -0.05139 -0.08013 191 2PX -0.02025 -0.04307 0.02136 0.03153 0.06370 192 2PY -0.07775 -0.00766 -0.05749 0.03092 -0.02165 193 2PZ 0.05432 -0.03575 -0.02725 -0.04310 0.07261 194 3S 0.54534 0.50654 0.38271 0.01026 -0.47825 195 3PX -0.21112 0.00614 0.00954 0.04846 0.05821 196 3PY -0.20675 0.08672 -0.00731 -0.10520 -0.43048 197 3PZ 0.29982 0.12923 0.16111 -0.00814 -0.38431 198 4XX 0.01264 -0.05888 -0.09756 0.05864 0.12611 199 4YY 0.14876 -0.02385 0.03050 0.21918 0.04885 200 4ZZ -0.15922 0.07913 0.07748 -0.27354 -0.16148 201 4XY -0.00135 -0.07630 -0.13763 0.07416 -0.02900 202 4XZ 0.06447 -0.07779 -0.13465 -0.10977 0.03470 203 4YZ 0.14788 0.21916 0.01720 0.09608 -0.31657 204 18 C 1S 0.06313 0.00243 -0.00156 0.02285 0.01858 205 2S 0.67211 0.06831 0.26849 -0.05793 -0.00097 206 2PX 0.11196 0.06686 -0.04884 -0.00530 0.03956 207 2PY 0.04226 0.02952 0.07798 -0.07276 -0.05161 208 2PZ -0.10941 -0.02909 -0.00766 -0.03144 -0.01981 209 3S -2.91352 -0.27216 -0.39152 -0.48293 -0.52729 210 3PX 0.45542 -0.09178 -0.15762 0.23423 0.07385 211 3PY -0.63626 -0.04819 -0.31556 0.21780 0.15378 212 3PZ 0.29085 0.06196 -0.20415 0.27935 0.08767 213 4XX 0.08968 -0.04183 -0.05122 0.02291 0.15669 214 4YY -0.02704 -0.02260 -0.02759 0.28192 0.15514 215 4ZZ -0.06888 0.07347 0.07677 -0.28497 -0.31312 216 4XY -0.06058 -0.16841 0.12444 -0.03257 0.04839 217 4XZ -0.05130 -0.06272 0.19606 -0.14673 -0.02615 218 4YZ 0.04319 0.07153 0.09418 0.04421 -0.05576 219 19 H 1S 0.30323 -0.00602 -0.20082 0.22571 0.17886 220 2S 0.26242 0.03914 -0.02219 0.09126 0.09362 221 20 H 1S 0.17572 0.01058 0.04870 0.13111 0.11347 222 2S -0.04398 -0.00184 0.04273 -0.10091 0.04381 223 21 H 1S -0.14586 -0.21315 -0.03485 0.05877 0.37984 224 2S -0.03972 -0.05113 -0.08887 0.00073 0.14229 225 22 H 1S -0.02675 -0.13960 -0.13660 -0.09064 0.00480 226 2S 0.04573 0.05401 0.03058 -0.02390 -0.11263 227 23 H 1S -0.14213 -0.10984 0.15191 -0.03141 0.11830 228 2S -0.15928 -0.17694 0.10884 0.11145 -0.15213 229 24 H 1S -0.22126 0.18872 -0.08789 0.14185 -0.29172 230 2S -0.22380 0.12036 0.10038 0.09524 -0.21182 231 25 H 1S 0.08924 0.03096 -0.08204 -0.00632 0.09152 232 2S 0.12294 0.04922 -0.12846 0.20083 0.04471 233 26 H 1S 0.05456 0.04611 -0.17715 -0.13533 -0.04159 234 2S 0.04266 -0.10075 -0.09807 -0.09090 0.08086 235 27 H 1S -0.18797 0.02914 0.07656 0.04870 -0.01146 236 2S -0.10742 0.09253 0.08219 0.07536 0.02754 237 28 Br 1S 0.00065 -0.00271 0.00430 0.00127 -0.00292 238 2S -0.00623 0.01219 -0.02064 -0.00600 0.01426 239 3S 0.01113 -0.00007 0.00569 0.00171 -0.00434 240 4S 0.01066 -0.06736 0.09872 0.02797 -0.06870 241 5S 0.03376 -0.31785 0.09055 0.09298 -0.13119 242 6S -0.13166 0.92586 -0.51482 -0.34396 0.47955 243 7PX -0.00147 0.00028 0.00076 0.00074 -0.00287 244 7PY -0.00181 -0.00741 0.00554 0.00114 -0.00548 245 7PZ -0.00168 -0.00313 0.00482 -0.00023 -0.00356 246 8PX 0.00509 -0.00068 -0.00227 -0.00246 0.00959 247 8PY 0.00589 0.02465 -0.01839 -0.00386 0.01818 248 8PZ 0.00555 0.01088 -0.01589 0.00091 0.01203 249 9PX -0.03528 -0.01267 -0.00752 0.01018 -0.04556 250 9PY -0.01522 -0.10401 0.07901 0.02276 -0.07370 251 9PZ -0.01518 -0.06913 0.05505 -0.00808 -0.05624 252 10PX 0.09332 0.08753 0.11071 -0.02266 0.06091 253 10PY -0.02412 0.05193 -0.07815 -0.06155 0.00835 254 10PZ -0.07232 0.15622 0.06473 -0.03490 -0.00366 255 11XX -0.01324 0.00314 -0.00494 -0.00050 0.00101 256 11YY -0.00191 0.00636 0.00696 0.00376 0.00530 257 11ZZ -0.00140 -0.01111 -0.00544 -0.00379 -0.00250 258 11XY -0.00386 -0.00453 -0.01092 0.00196 -0.00396 259 11XZ -0.00605 -0.00815 -0.00782 0.00014 -0.00106 260 11YZ 0.00304 -0.00002 0.00056 0.00098 0.00139 261 12XX 0.07734 -0.28130 0.25213 0.09377 -0.18637 262 12YY -0.01091 -0.33546 0.18991 0.06856 -0.23214 263 12ZZ -0.02781 -0.19331 0.29236 0.09904 -0.18740 264 12XY 0.02472 0.03260 0.07145 -0.00810 0.02062 265 12XZ 0.03557 0.05779 0.06813 -0.00074 -0.00030 266 12YZ -0.02707 -0.03434 0.00963 -0.01186 -0.03978 267 29 C 1S 0.00488 -0.00128 0.01105 -0.00918 -0.01333 268 2S 0.13199 -0.21157 0.15671 -0.09648 -0.20776 269 2PX -0.01346 0.05112 0.04646 -0.01276 0.00771 270 2PY -0.05005 0.05468 -0.03714 -0.00771 0.01781 271 2PZ -0.01782 0.04356 -0.00438 -0.00115 0.04753 272 3S -0.20684 0.09491 -0.26057 0.40944 0.26638 273 3PX 0.22027 0.02266 0.05496 0.24491 0.19552 274 3PY 0.37228 -0.11824 -0.05514 0.08875 -0.07241 275 3PZ -0.30776 0.03507 0.01262 -0.15801 0.04202 276 4XX 0.02749 -0.01638 -0.24649 -0.09364 -0.09337 277 4YY -0.11595 0.02692 0.22384 0.03066 -0.03846 278 4ZZ 0.08707 0.04551 0.02323 0.05918 0.14859 279 4XY 0.07639 0.03095 -0.00751 0.04094 -0.05714 280 4XZ -0.12764 -0.09122 -0.07330 -0.13218 -0.15030 281 4YZ 0.00519 -0.06402 -0.13737 -0.08947 -0.19226 282 30 H 1S 0.03056 -0.00869 0.13362 0.06365 0.02985 283 2S 0.05067 0.00713 0.09420 0.01957 -0.01098 284 31 H 1S 0.09697 -0.05288 -0.06370 -0.05194 -0.18147 285 2S 0.21769 -0.04062 0.03970 0.03777 -0.06979 286 32 H 1S -0.09768 -0.05678 -0.01412 -0.10008 -0.05276 287 2S -0.15757 0.04310 0.09620 -0.21781 -0.02057 288 33 H 1S -0.10474 0.19007 -0.20037 -0.03021 0.02874 289 2S -0.02616 0.02563 0.12444 0.05781 -0.09763 290 34 H 1S -0.11303 0.13376 0.12527 0.10348 0.10857 291 2S 0.03660 0.02810 0.08874 -0.14647 0.00832 292 35 H 1S -0.17888 0.36775 -0.00547 -0.04843 0.02458 293 2S -0.10116 0.06746 -0.12563 -0.12655 -0.01320 294 36 H 1S -0.01795 0.07608 -0.13323 0.07345 0.11516 295 2S 0.02141 -0.05766 -0.01065 0.05334 0.03314 296 37 H 1S 0.07068 0.21799 -0.12463 -0.02249 0.01744 297 2S 0.10083 -0.01476 0.05659 -0.05121 -0.02770 298 38 H 1S 0.03812 0.11117 0.15884 0.08367 0.01009 299 2S -0.03864 -0.06539 0.06694 0.03853 -0.01753 300 39 H 1S 0.16056 0.20864 0.19380 0.09472 0.08650 301 2S 0.17485 -0.00577 0.06370 0.08976 0.03435 302 40 H 1S 0.07833 0.08052 -0.09522 -0.02842 -0.06396 303 2S -0.04939 0.04593 -0.06644 0.01084 0.06474 241 242 243 244 245 V V V V V Eigenvalues -- 1.91725 1.92077 1.93508 1.96758 1.97447 1 1 C 1S 0.01845 0.03315 -0.00450 0.02652 0.00209 2 2S 0.17841 0.24055 0.19577 0.33112 0.11997 3 2PX 0.04590 -0.02136 0.05128 -0.09864 -0.01432 4 2PY 0.01826 0.03090 0.04863 0.05654 -0.00211 5 2PZ 0.00333 0.01551 -0.04195 -0.05596 -0.04215 6 3S -0.60545 -1.61421 -0.17238 -1.70511 -0.53229 7 3PX 0.10036 -0.46482 -0.19615 -0.05563 -0.03443 8 3PY 0.41316 0.21997 -0.25865 0.16789 0.77768 9 3PZ -0.08615 0.19542 -0.17771 0.35475 0.03653 10 4XX 0.06222 -0.02440 -0.11360 0.16258 0.06789 11 4YY -0.23090 -0.01260 0.06401 -0.25657 -0.16077 12 4ZZ 0.16741 0.03526 0.05266 0.08876 0.05787 13 4XY -0.07601 -0.16829 0.03995 0.36591 0.04045 14 4XZ 0.00194 0.04981 -0.20859 0.10127 0.03501 15 4YZ -0.11786 -0.02234 0.00817 0.02589 -0.06007 16 2 C 1S -0.00677 0.00231 -0.00228 -0.02562 -0.00102 17 2S -0.31935 -0.23558 -0.01730 -0.00836 0.01854 18 2PX -0.07540 -0.07088 -0.01393 0.06240 -0.01255 19 2PY 0.04331 -0.01392 -0.08267 0.03222 0.05145 20 2PZ 0.01937 0.01519 0.07895 0.00156 -0.00392 21 3S 0.46546 0.24718 0.01184 0.79236 -0.29482 22 3PX 0.03790 0.20347 -0.09721 -0.11445 -0.10081 23 3PY -0.16803 -0.24834 0.16297 -0.00988 -0.38087 24 3PZ -0.14522 0.05373 -0.20619 0.42097 -0.17988 25 4XX -0.01124 -0.01146 0.00267 0.19989 -0.04987 26 4YY 0.03839 0.18318 -0.08269 -0.22256 0.09783 27 4ZZ -0.01313 -0.15029 0.07611 0.02523 -0.06407 28 4XY -0.08537 -0.02747 0.09867 -0.10945 -0.12312 29 4XZ -0.21329 0.03917 -0.20095 0.00792 -0.07582 30 4YZ -0.21400 -0.13123 0.00881 0.19448 0.03922 31 3 C 1S 0.01423 -0.01252 -0.00319 -0.01196 -0.01809 32 2S 0.00261 -0.23296 -0.23613 0.09274 -0.06217 33 2PX 0.03448 0.10148 -0.03582 -0.03186 0.04695 34 2PY 0.05583 0.05707 0.02802 -0.06539 -0.00945 35 2PZ 0.03219 -0.03047 -0.01674 0.01751 0.00670 36 3S -0.11893 0.77048 0.48009 0.28103 0.58220 37 3PX 0.07000 0.04148 0.38202 0.19218 -0.14103 38 3PY -0.34725 -0.28340 -0.07422 0.09463 -0.21202 39 3PZ 0.03934 -0.07035 0.39836 -0.44732 -0.07372 40 4XX -0.03464 -0.04933 0.17465 -0.11531 -0.18936 41 4YY 0.19551 0.09174 0.00620 -0.05413 0.07218 42 4ZZ -0.14692 -0.02371 -0.17815 0.17337 0.11089 43 4XY -0.13892 0.02379 0.06750 -0.18291 -0.10226 44 4XZ -0.31029 -0.07481 0.00583 0.13272 -0.09967 45 4YZ -0.03116 -0.10148 0.01506 -0.01189 -0.03790 46 4 C 1S 0.01756 0.02514 0.02905 0.00966 -0.00389 47 2S 0.02106 0.31577 0.18149 0.19447 0.10354 48 2PX -0.00264 -0.06121 -0.00600 -0.08517 -0.05702 49 2PY -0.02831 -0.01317 0.03156 0.02821 0.02538 50 2PZ -0.07499 -0.02100 -0.01777 -0.04850 -0.00579 51 3S -0.87530 -1.22219 -1.50343 -0.82464 -0.23199 52 3PX 0.23446 0.32662 -0.23876 0.25181 0.24337 53 3PY 0.82089 0.50360 -0.00228 -0.13703 0.40964 54 3PZ -0.17415 0.00379 -0.57405 -0.22257 0.28258 55 4XX 0.13002 -0.01479 0.15143 -0.19862 -0.10510 56 4YY 0.01974 -0.10249 -0.09372 0.21910 -0.00753 57 4ZZ -0.13657 0.11658 -0.08744 -0.03783 0.06642 58 4XY -0.02160 0.11981 -0.10075 -0.16114 0.10588 59 4XZ 0.12922 0.01304 0.06103 -0.18366 -0.10306 60 4YZ 0.12755 -0.01415 0.02056 0.14628 -0.13599 61 5 C 1S -0.02910 -0.02657 -0.03403 -0.07161 -0.05823 62 2S -0.68544 -0.59406 -0.46206 -0.54618 -0.91392 63 2PX 0.14867 -0.00434 -0.03792 0.08997 -0.02890 64 2PY 0.09421 0.09310 -0.04907 -0.04525 0.17473 65 2PZ -0.01952 -0.02083 0.10565 -0.09584 0.00353 66 3S 2.54741 1.93820 1.90561 3.25469 3.75606 67 3PX -1.71845 0.00883 0.09705 -0.58268 0.39919 68 3PY -0.62329 -0.75884 0.33587 -0.09735 -1.69557 69 3PZ -0.09069 -0.49096 -0.78768 0.90870 -0.05309 70 4XX 0.07280 -0.03905 -0.05390 -0.14970 0.08839 71 4YY 0.02324 0.05018 0.15970 0.15606 -0.11999 72 4ZZ -0.01306 0.03599 -0.07295 -0.02991 0.09569 73 4XY 0.07092 0.08161 -0.08867 0.15018 0.05777 74 4XZ -0.00785 0.04312 0.09134 -0.06427 -0.09989 75 4YZ 0.00798 0.03862 -0.00441 -0.07248 -0.03486 76 6 C 1S 0.00465 -0.00056 -0.00102 0.00102 0.00305 77 2S -0.16733 -0.11269 0.07808 -0.30882 -0.24722 78 2PX -0.02418 0.03117 0.01454 -0.00810 -0.05305 79 2PY -0.09615 0.00250 0.00071 0.09694 0.07203 80 2PZ 0.00213 -0.00675 0.02158 0.05490 -0.04149 81 3S -0.54003 0.12261 -0.12911 -0.20236 -0.40539 82 3PX -0.30539 -1.27086 -0.13948 -1.57219 -0.89228 83 3PY -1.40436 0.02949 0.07573 -1.50726 -1.30415 84 3PZ 0.74263 0.32748 0.36948 -0.04121 0.72056 85 4XX 0.08617 0.09868 -0.19951 0.00157 0.03455 86 4YY 0.08206 0.03499 0.03331 0.12405 0.08678 87 4ZZ -0.11727 -0.14951 0.16324 -0.11029 -0.11512 88 4XY 0.13262 0.11599 -0.06722 0.00177 0.01410 89 4XZ 0.13026 0.00301 -0.00534 -0.15545 0.06309 90 4YZ 0.05655 0.07602 -0.12486 0.05666 -0.14075 91 7 C 1S 0.01330 0.00013 -0.00585 -0.01053 0.02034 92 2S 0.25335 0.28969 -0.23679 -0.14957 0.22913 93 2PX 0.07095 0.07474 0.00979 0.07664 0.11395 94 2PY -0.01844 0.05895 -0.02337 -0.06624 -0.04563 95 2PZ -0.00918 -0.04685 0.03310 0.01752 0.03098 96 3S -1.17675 -0.34907 0.50477 0.32664 -1.12158 97 3PX 0.46822 -0.01334 0.18159 1.37476 0.39474 98 3PY -0.33127 0.21934 -0.04548 0.33170 -0.22954 99 3PZ 0.21402 0.08974 -0.35043 0.02736 0.00594 100 4XX 0.01545 -0.17012 -0.06173 -0.08117 -0.11564 101 4YY -0.08303 0.14757 -0.16450 0.27533 0.07298 102 4ZZ 0.06571 -0.01103 0.24815 -0.15355 0.03852 103 4XY 0.08948 0.07882 -0.04022 0.01009 -0.15625 104 4XZ 0.05918 0.26586 0.25165 0.11383 -0.10199 105 4YZ 0.10149 -0.03350 -0.04858 0.28828 -0.01009 106 8 C 1S 0.00250 -0.02875 0.00514 0.02539 -0.01215 107 2S 0.04008 -0.19316 -0.01811 0.26216 0.15642 108 2PX 0.00275 -0.00231 0.04959 -0.01060 -0.03466 109 2PY 0.02602 -0.00250 -0.02461 -0.02471 0.05963 110 2PZ 0.02181 -0.02305 0.01849 -0.00125 -0.03040 111 3S -0.07545 0.88000 -0.26300 -1.70976 -0.11152 112 3PX 0.12324 0.11605 0.08457 0.44807 0.11097 113 3PY -0.24860 0.19930 -0.00848 -0.36439 -0.11531 114 3PZ -0.15289 -0.24182 -0.16713 0.14272 0.21968 115 4XX -0.14098 -0.20078 -0.00078 -0.15057 -0.14401 116 4YY -0.01250 0.24469 0.04444 0.21155 -0.00103 117 4ZZ 0.16852 -0.06081 -0.03573 -0.07099 0.10877 118 4XY -0.03863 0.18139 -0.13522 0.04965 -0.19066 119 4XZ -0.00998 0.16745 -0.05132 -0.13816 -0.16999 120 4YZ 0.04993 0.04231 -0.11621 0.04910 0.07441 121 9 C 1S -0.03068 0.04035 -0.01154 -0.00751 -0.00785 122 2S 0.10226 0.26732 -0.19473 -0.18783 -0.05466 123 2PX 0.02764 0.07618 0.10255 0.00687 -0.03074 124 2PY -0.05213 0.01836 -0.09709 0.06091 -0.05266 125 2PZ -0.07409 -0.00720 0.04078 -0.01459 0.07925 126 3S 0.44909 -1.46181 0.55398 1.07612 0.25957 127 3PX 0.05842 0.30655 -0.07996 -0.08304 -0.00955 128 3PY 0.38746 -0.28146 0.19454 -0.25599 -0.14830 129 3PZ 0.36335 0.00290 -0.23200 -0.00084 -0.29094 130 4XX -0.09643 0.14102 0.00386 0.00416 0.18140 131 4YY -0.07757 -0.01608 -0.28896 0.02348 -0.21270 132 4ZZ 0.15183 -0.11017 0.30773 0.00181 0.02838 133 4XY 0.17810 -0.08242 0.01555 0.03155 -0.08474 134 4XZ 0.07870 -0.02055 0.06050 -0.06598 0.25457 135 4YZ 0.19382 -0.03129 -0.23334 -0.02792 -0.10864 136 10 C 1S -0.00964 -0.02222 0.03323 0.00629 0.07320 137 2S 0.10919 -0.24157 0.05952 0.35523 0.17786 138 2PX 0.03336 0.01218 -0.06603 -0.06894 -0.10538 139 2PY -0.00218 0.05801 0.03323 0.05362 -0.04768 140 2PZ 0.01676 -0.01563 -0.10011 0.05198 -0.11424 141 3S 0.13640 0.48091 -1.19202 -0.91662 -2.58088 142 3PX -0.01143 0.74633 0.40868 0.13581 1.18489 143 3PY 0.18992 -0.46040 0.10693 -0.31270 0.05831 144 3PZ 0.01463 0.30485 0.38594 -0.46770 0.51009 145 4XX -0.11965 -0.08078 0.07199 -0.14254 0.19687 146 4YY 0.10721 -0.07562 -0.14655 -0.03999 0.07520 147 4ZZ -0.01353 0.16315 0.09409 0.13221 -0.19745 148 4XY -0.06819 -0.04120 -0.03412 0.03042 -0.03989 149 4XZ -0.16947 -0.03460 -0.03823 0.06244 0.18857 150 4YZ 0.21594 -0.03743 -0.22810 0.01103 -0.15231 151 11 C 1S -0.00853 0.00635 0.00922 -0.01615 -0.01859 152 2S -0.03397 0.00549 -0.03378 -0.06930 -0.20317 153 2PX 0.04599 -0.03511 -0.03975 -0.00160 0.04825 154 2PY -0.03670 0.01717 0.00394 -0.02640 0.03532 155 2PZ 0.00635 0.05556 0.06345 0.00293 -0.00267 156 3S 0.08345 -0.02668 0.05607 0.59148 0.64389 157 3PX -0.15295 -0.00161 -0.02223 -0.05971 -0.59538 158 3PY 0.23396 0.02604 -0.16381 -0.10417 -0.30799 159 3PZ 0.10694 -0.41701 -0.32597 0.29849 -0.68004 160 4XX 0.00458 0.00758 0.04488 -0.10895 0.02442 161 4YY 0.01132 -0.08262 0.04986 0.02756 0.11419 162 4ZZ -0.01192 0.08484 -0.07907 0.07608 -0.12846 163 4XY -0.00789 -0.12318 -0.03377 -0.03297 0.09013 164 4XZ 0.12619 -0.12384 -0.16742 -0.03376 0.07403 165 4YZ 0.17077 0.04017 0.02481 0.07628 -0.25440 166 12 H 1S 0.00017 -0.01875 0.07165 0.02348 -0.31613 167 2S -0.06963 -0.10200 -0.10564 0.00600 -0.16687 168 13 H 1S -0.14073 0.07858 0.12334 -0.13900 0.21182 169 2S -0.09643 0.10821 0.10798 -0.07870 0.26813 170 14 C 1S -0.00615 0.03311 0.00124 0.00830 -0.00233 171 2S -0.07085 0.05580 -0.02689 0.11921 0.16824 172 2PX -0.01611 -0.03735 0.06872 0.01229 -0.05330 173 2PY 0.01894 0.03992 -0.00959 0.00482 -0.01071 174 2PZ 0.00050 -0.07708 -0.00176 0.01490 0.01544 175 3S 0.34446 -0.88164 -0.18011 -0.45401 -0.13035 176 3PX -0.03837 0.26694 -0.00492 0.08950 0.36880 177 3PY -0.07021 0.24510 -0.05720 0.20127 0.01718 178 3PZ -0.07196 0.16436 -0.08649 -0.24397 0.17422 179 4XX -0.00670 -0.03893 -0.03969 0.00048 -0.21679 180 4YY 0.01871 0.07953 0.19777 0.11352 0.15065 181 4ZZ -0.01153 -0.03192 -0.16853 -0.11278 0.05910 182 4XY 0.03640 -0.24328 -0.05489 0.05787 0.04551 183 4XZ 0.06601 -0.12149 -0.13518 0.00822 -0.07496 184 4YZ 0.04895 -0.19299 0.11609 0.05080 0.08517 185 15 H 1S -0.02549 0.08594 -0.01196 -0.07763 -0.04517 186 2S -0.01980 -0.04642 0.05151 -0.01720 -0.00869 187 16 H 1S -0.08158 0.32192 -0.00748 0.04163 -0.04087 188 2S -0.05088 0.12614 -0.03230 -0.00341 0.11889 189 17 C 1S -0.00174 0.00195 -0.00636 -0.01199 0.00099 190 2S 0.10052 -0.52031 0.01163 -0.07272 0.07063 191 2PX -0.04639 0.14343 -0.02054 -0.01499 -0.01520 192 2PY -0.02588 0.03636 0.03328 0.03320 0.03782 193 2PZ 0.02247 0.00168 -0.01130 -0.00667 -0.05629 194 3S -0.04095 0.77415 0.19785 0.51615 -0.13489 195 3PX -0.02822 -0.61475 -0.20897 -0.23992 0.06879 196 3PY 0.11246 0.06711 0.09105 0.03389 -0.12637 197 3PZ 0.16343 -0.11849 0.04054 -0.07045 0.27135 198 4XX -0.03451 0.13908 0.02045 0.09056 -0.08381 199 4YY -0.04272 -0.02528 0.20787 -0.04190 0.01330 200 4ZZ 0.07246 -0.09100 -0.23270 -0.04707 0.06276 201 4XY 0.00776 0.14850 0.10488 0.05361 0.01073 202 4XZ 0.10755 0.08090 0.09811 0.07368 -0.17762 203 4YZ 0.04410 -0.34552 0.08079 0.03441 0.00592 204 18 C 1S -0.00728 0.02774 0.00758 0.01540 0.00632 205 2S 0.15759 -0.07122 0.12980 0.10507 0.09247 206 2PX -0.02336 -0.10713 -0.06529 0.00062 -0.00637 207 2PY 0.05780 -0.07493 -0.00352 -0.00856 0.00200 208 2PZ 0.02765 0.02777 0.04129 0.01628 0.01274 209 3S -0.03132 -0.42972 -0.38751 -0.64029 -0.39137 210 3PX -0.00090 0.23067 0.22592 0.22943 -0.01703 211 3PY -0.34885 -0.00569 -0.27264 -0.13066 -0.08145 212 3PZ -0.17395 0.10255 0.22035 0.03754 -0.32625 213 4XX -0.08879 0.18482 0.12088 0.07880 0.03033 214 4YY -0.13955 -0.05413 -0.14105 -0.04089 -0.03917 215 4ZZ 0.22499 -0.10367 0.01132 -0.03041 -0.01353 216 4XY 0.07176 0.19691 0.09579 -0.01606 0.10082 217 4XZ 0.20376 -0.18443 0.21127 0.05567 -0.00744 218 4YZ -0.02452 -0.11669 -0.16127 -0.06149 0.05881 219 19 H 1S -0.15603 0.22349 0.10958 0.12051 -0.10056 220 2S -0.04588 -0.03945 0.03876 0.00491 -0.03977 221 20 H 1S -0.12187 0.12732 -0.16589 -0.01880 0.16730 222 2S 0.00395 -0.08042 -0.05591 -0.03040 0.06371 223 21 H 1S -0.10376 0.12182 -0.07652 -0.06291 -0.00908 224 2S -0.00943 -0.08092 0.01604 0.02394 -0.02854 225 22 H 1S 0.08802 0.15854 0.09033 0.00752 -0.02182 226 2S 0.02121 0.05347 0.03704 -0.00573 -0.00875 227 23 H 1S -0.05686 -0.10906 0.32446 -0.10265 0.56148 228 2S 0.05536 -0.00168 0.20945 -0.05074 0.15781 229 24 H 1S -0.37088 0.26609 -0.01472 0.01168 0.00454 230 2S -0.14938 0.10185 -0.04969 -0.06975 0.19168 231 25 H 1S -0.06054 -0.19335 -0.03188 -0.06732 -0.09006 232 2S -0.18810 0.04141 -0.02462 0.04801 -0.04501 233 26 H 1S -0.07781 -0.00899 0.09544 0.16172 -0.12162 234 2S 0.07295 -0.01542 0.13696 0.02010 -0.01750 235 27 H 1S 0.10826 0.10361 0.10993 0.30684 0.13294 236 2S 0.06090 0.06929 0.01266 0.24756 0.09051 237 28 Br 1S -0.00458 -0.00037 -0.00186 -0.00611 -0.00209 238 2S 0.02347 0.00241 0.00577 0.03114 0.00685 239 3S -0.01176 -0.00308 0.00665 -0.01472 0.00814 240 4S -0.09991 -0.00531 -0.04113 -0.13633 -0.05479 241 5S -0.22690 -0.02885 0.09473 -0.09071 -0.45030 242 6S 0.94563 0.15998 -0.07258 0.67657 1.21282 243 7PX 0.00114 0.00441 -0.00205 0.00063 -0.00073 244 7PY -0.00317 0.00118 -0.00048 -0.00747 -0.00599 245 7PZ -0.00121 0.00136 -0.00526 -0.00624 -0.00391 246 8PX -0.00390 -0.01462 0.00659 -0.00205 0.00254 247 8PY 0.01043 -0.00403 0.00155 0.02457 0.02012 248 8PZ 0.00375 -0.00474 0.01678 0.02047 0.01336 249 9PX 0.02137 0.05965 -0.01389 0.00673 -0.02213 250 9PY -0.04496 0.02047 -0.00755 -0.08245 -0.10054 251 9PZ -0.01116 0.02356 -0.03341 -0.07151 -0.08189 252 10PX -0.00513 -0.02053 -0.07875 -0.00492 0.10711 253 10PY 0.09800 0.00988 0.04132 -0.11405 0.18550 254 10PZ 0.13688 0.08403 -0.15598 0.02860 0.24282 255 11XX 0.00350 0.00074 -0.00697 0.00415 -0.00167 256 11YY 0.00298 0.00124 -0.01874 0.00948 -0.00190 257 11ZZ 0.00462 0.00148 0.01047 0.00034 -0.01102 258 11XY 0.00241 -0.00041 0.00066 -0.00723 -0.00684 259 11XZ -0.00085 -0.00325 0.00919 0.00085 -0.00459 260 11YZ -0.00058 0.00145 0.00357 0.01162 -0.00907 261 12XX -0.28207 -0.01536 -0.04988 -0.30622 -0.31936 262 12YY -0.27563 -0.01122 0.04706 -0.37389 -0.32439 263 12ZZ -0.24767 0.01317 -0.18818 -0.27036 -0.24515 264 12XY -0.00816 0.01553 -0.00786 0.05102 0.04973 265 12XZ 0.01772 0.03961 -0.08072 -0.00933 0.04520 266 12YZ 0.00916 0.00415 -0.01916 -0.12853 0.04618 267 29 C 1S 0.00980 0.00346 0.00745 0.00185 0.01247 268 2S 0.25518 -0.07011 0.00452 -0.17271 0.06954 269 2PX 0.03231 -0.03974 0.01726 0.04982 -0.00586 270 2PY -0.03867 0.04487 -0.02177 0.10083 0.02322 271 2PZ -0.02170 0.02795 0.05969 0.13554 0.00341 272 3S -0.50975 0.12537 -0.17731 -0.66180 -0.25566 273 3PX 0.34142 0.03667 -0.17420 0.08963 -0.27364 274 3PY 0.08686 -0.02367 -0.02622 -0.05414 0.43587 275 3PZ 0.08404 -0.17940 0.14834 0.34036 -0.04864 276 4XX -0.27567 0.05482 -0.03909 -0.03923 0.27130 277 4YY 0.02787 0.00456 0.09892 0.12056 -0.29210 278 4ZZ 0.19632 -0.04928 -0.04228 -0.05113 0.03662 279 4XY -0.01078 0.01532 -0.12582 -0.03324 0.09033 280 4XZ -0.24954 -0.00510 0.16223 0.05097 -0.03844 281 4YZ -0.05030 0.13512 -0.05244 -0.24887 0.05594 282 30 H 1S 0.19386 -0.04002 -0.00049 0.05833 -0.08526 283 2S 0.01651 0.07739 -0.09324 0.08316 -0.13534 284 31 H 1S -0.01112 0.10493 -0.09998 -0.20624 0.19854 285 2S 0.04598 0.04005 0.05963 0.05053 0.09640 286 32 H 1S 0.04530 0.00152 0.12054 0.01457 0.02489 287 2S 0.00494 -0.02295 0.05476 0.09288 -0.07047 288 33 H 1S 0.15151 0.13710 0.06372 -0.09979 0.14690 289 2S 0.13610 0.22085 -0.06138 0.03699 0.19878 290 34 H 1S -0.05594 -0.02272 0.20933 0.09570 -0.12079 291 2S -0.23475 -0.05393 0.13959 0.05386 -0.10466 292 35 H 1S 0.02167 0.02551 -0.05959 0.00746 -0.05685 293 2S 0.14507 -0.02613 -0.10461 0.09936 0.02379 294 36 H 1S 0.20352 -0.06055 0.15651 -0.25877 -0.10360 295 2S 0.02640 -0.03419 0.05338 -0.09144 -0.04769 296 37 H 1S 0.06811 0.04955 -0.00513 -0.04058 -0.04794 297 2S -0.23914 -0.11041 -0.07143 0.04937 -0.15289 298 38 H 1S -0.09545 0.04620 -0.05470 -0.28687 -0.00727 299 2S 0.02746 0.04098 -0.00807 -0.10526 0.04167 300 39 H 1S 0.02005 0.06248 0.03413 0.10381 -0.05730 301 2S 0.07921 -0.00218 0.13266 -0.00657 -0.07270 302 40 H 1S 0.25796 0.24128 -0.11123 0.02465 0.19166 303 2S 0.15752 0.02465 -0.04903 0.20063 0.21224 246 247 248 249 250 V V V V V Eigenvalues -- 1.98872 1.99912 2.02352 2.03317 2.05267 1 1 C 1S -0.02843 0.00531 0.02723 0.03020 0.00774 2 2S -0.31567 0.11043 0.38624 0.43114 0.07404 3 2PX 0.02544 0.00318 -0.00845 -0.06618 0.07263 4 2PY 0.00659 0.03404 0.03920 0.08038 -0.04635 5 2PZ -0.02476 -0.01374 -0.02581 -0.05199 0.03686 6 3S 1.71171 -0.11247 -1.50312 -1.65864 -0.35117 7 3PX 0.71792 -0.07314 -0.51768 -0.38568 -0.23853 8 3PY 0.29389 -0.28649 -0.30709 -0.12116 0.39224 9 3PZ -0.31029 -0.13512 0.03473 0.11873 0.24693 10 4XX 0.08658 -0.06745 -0.10448 -0.08533 -0.08359 11 4YY -0.21657 0.01655 0.15782 0.07098 -0.05963 12 4ZZ 0.14243 0.05916 -0.06115 -0.02969 0.13459 13 4XY -0.17840 0.01232 0.14149 -0.19083 0.03257 14 4XZ -0.12447 -0.12002 -0.08787 -0.12613 0.21189 15 4YZ -0.03133 -0.01894 -0.07103 0.03902 0.08929 16 2 C 1S 0.00915 -0.00033 -0.01790 -0.00471 -0.00114 17 2S 0.04465 -0.03439 -0.19395 -0.08902 -0.01282 18 2PX -0.01754 -0.01822 -0.01446 -0.03586 -0.00672 19 2PY 0.06162 -0.04080 -0.05389 -0.04133 0.05773 20 2PZ -0.02995 0.03203 0.05403 0.06291 -0.01854 21 3S -0.46021 0.09481 0.82862 0.26338 -0.13209 22 3PX -0.31692 -0.13306 0.19428 -0.14844 0.17362 23 3PY -0.07290 0.16998 0.16780 -0.12172 -0.38097 24 3PZ -0.16895 0.04123 0.07267 0.17040 -0.15970 25 4XX -0.01025 0.12421 0.12351 0.17411 -0.13916 26 4YY -0.03080 -0.14178 -0.04144 0.10863 -0.00610 27 4ZZ 0.04212 0.02825 -0.06587 -0.26378 0.13056 28 4XY -0.09693 -0.01435 -0.01732 -0.22483 -0.01471 29 4XZ -0.14255 -0.07780 -0.04890 -0.03207 0.04459 30 4YZ 0.02852 0.02323 0.01601 0.09536 -0.07210 31 3 C 1S 0.00918 -0.00247 -0.00043 -0.02671 -0.00497 32 2S 0.20532 -0.06134 0.00191 -0.16944 -0.01611 33 2PX -0.00896 -0.05751 0.01564 0.04164 0.02910 34 2PY -0.04024 -0.00871 0.00423 -0.01063 0.00179 35 2PZ 0.05528 0.00608 -0.00582 -0.00686 -0.02297 36 3S -0.25952 0.00708 -0.05057 1.06716 0.14304 37 3PX -0.11916 0.23038 0.30908 0.34697 -0.24757 38 3PY -0.15682 -0.08688 0.09041 -0.31870 -0.13683 39 3PZ -0.06187 0.22671 0.10374 0.06551 0.01840 40 4XX -0.04795 0.16618 0.09195 -0.03830 -0.11291 41 4YY 0.10559 0.02451 0.00105 0.18048 -0.03017 42 4ZZ -0.06721 -0.19884 -0.10672 -0.13398 0.14599 43 4XY -0.08391 0.00932 0.04098 0.00998 -0.13187 44 4XZ -0.17964 -0.01082 0.01971 0.15914 -0.14832 45 4YZ 0.03533 0.05900 0.09942 0.06920 -0.14510 46 4 C 1S -0.01230 0.01288 0.01509 0.02711 0.00300 47 2S -0.17410 0.05903 0.04645 0.25533 0.11272 48 2PX 0.03769 0.10889 -0.02825 -0.08976 -0.01582 49 2PY 0.02072 -0.03249 0.02363 0.05186 -0.03121 50 2PZ -0.05362 0.00305 -0.04203 -0.03162 -0.01846 51 3S 0.11639 -0.18495 -0.52274 -1.29334 -0.36225 52 3PX 0.04944 -0.22804 0.20554 0.50225 -0.05696 53 3PY 0.13857 -0.18007 -0.01009 0.07597 0.52725 54 3PZ -0.16165 -0.25541 -0.20035 -0.46991 0.01342 55 4XX -0.02847 0.04235 0.03981 -0.06311 -0.06415 56 4YY 0.28603 0.15810 -0.08546 0.19755 0.16045 57 4ZZ -0.24065 -0.21143 0.03973 -0.12683 -0.09935 58 4XY -0.01602 -0.10593 -0.07082 0.05037 0.11969 59 4XZ -0.02017 0.03258 0.14651 0.13598 -0.22514 60 4YZ 0.24211 0.01915 0.06982 0.08011 0.12200 61 5 C 1S -0.01664 -0.04059 -0.03963 -0.04898 -0.04673 62 2S 0.19979 -0.12393 -0.68364 -0.46907 -0.16396 63 2PX 0.02916 -0.04272 0.04528 0.04197 -0.06015 64 2PY 0.03233 -0.02048 0.07181 0.02216 0.08051 65 2PZ 0.03839 -0.04749 -0.01223 -0.04691 -0.01595 66 3S -0.18085 1.00749 2.10465 2.10729 1.36921 67 3PX -1.34393 0.50746 -0.72800 -0.19883 0.43441 68 3PY 0.31109 0.72014 -0.88475 0.18131 -0.14297 69 3PZ 0.08000 0.94605 0.23370 0.41134 -0.36719 70 4XX 0.12214 0.09254 -0.17353 0.05050 0.05094 71 4YY -0.04601 0.05634 0.23250 -0.15009 0.11401 72 4ZZ -0.12778 -0.18178 0.00174 0.10419 -0.21395 73 4XY -0.10437 0.13020 -0.08450 -0.01993 0.09272 74 4XZ -0.08074 0.25465 0.02860 0.00046 0.10840 75 4YZ 0.07147 -0.02107 -0.02241 -0.09511 0.09614 76 6 C 1S 0.01782 -0.00019 -0.00413 -0.00531 0.00430 77 2S 0.23466 -0.14237 -0.00310 -0.02977 0.12220 78 2PX 0.09333 -0.07250 -0.06695 0.05414 -0.06320 79 2PY -0.07116 -0.06912 -0.05773 -0.10076 -0.01852 80 2PZ 0.00766 0.03053 -0.03247 -0.05223 0.03556 81 3S -0.99157 0.52356 -0.14846 0.44971 -0.11705 82 3PX 1.02313 0.26830 -0.96810 -0.92683 -0.32741 83 3PY -0.94144 0.06691 -0.48655 0.03835 0.16756 84 3PZ 0.17817 -0.15068 0.62577 0.26713 0.06128 85 4XX 0.00970 -0.10204 -0.07724 -0.01445 0.07579 86 4YY -0.14358 0.01272 0.11470 -0.02706 0.01751 87 4ZZ 0.14750 0.13958 -0.02623 0.04138 -0.10652 88 4XY 0.00081 -0.10731 -0.07203 -0.08445 0.12529 89 4XZ -0.00118 -0.13263 -0.12265 -0.30011 0.32577 90 4YZ 0.14029 0.04940 0.00681 0.06562 -0.00748 91 7 C 1S 0.01960 0.00515 0.01210 0.01309 -0.01146 92 2S 0.22321 0.23543 0.23786 0.43343 0.07070 93 2PX -0.05703 0.05625 0.05126 0.01011 0.11393 94 2PY 0.07395 0.00588 -0.00408 0.04772 0.00882 95 2PZ -0.05036 -0.03202 0.00849 -0.05906 0.03351 96 3S -1.09164 -0.53458 -0.66856 -0.66674 0.15871 97 3PX -0.12412 -0.33713 0.27829 0.13881 -0.48508 98 3PY -0.54126 -0.15287 -0.23140 -0.09216 -0.09576 99 3PZ 0.21361 0.32476 -0.03461 0.40855 -0.03634 100 4XX 0.02019 -0.05046 -0.06375 0.02743 -0.01685 101 4YY -0.17041 -0.01260 0.06260 0.15468 0.01154 102 4ZZ 0.15213 0.01606 -0.02590 -0.24974 -0.02084 103 4XY -0.00310 0.12639 0.02088 0.18889 0.11714 104 4XZ 0.02595 0.12879 -0.10566 -0.26142 -0.19629 105 4YZ 0.22903 -0.05129 -0.01708 -0.03278 -0.25344 106 8 C 1S 0.00142 -0.01611 -0.00670 -0.00630 -0.00980 107 2S -0.16692 -0.03314 -0.10570 -0.08965 0.01935 108 2PX -0.08043 -0.00051 -0.06087 -0.07423 -0.05195 109 2PY -0.08632 0.05806 -0.07164 -0.02790 -0.00170 110 2PZ -0.01660 -0.01629 0.00998 0.00849 -0.00288 111 3S 0.10548 0.93524 -0.07879 0.37382 0.35767 112 3PX -0.11621 0.08893 -0.13146 0.18132 -0.03077 113 3PY 0.29016 -0.11891 0.38325 -0.01933 0.25923 114 3PZ 0.17832 -0.26714 0.21632 0.03881 0.39517 115 4XX 0.17545 -0.15146 -0.17257 -0.03287 -0.19624 116 4YY 0.13713 -0.01685 0.23593 -0.07374 -0.12711 117 4ZZ -0.29657 0.17305 -0.05041 0.12905 0.31216 118 4XY 0.15404 -0.06925 -0.11778 -0.02805 0.03950 119 4XZ 0.11951 0.20985 0.00109 -0.08324 0.05767 120 4YZ 0.05310 0.14389 -0.06940 0.08026 -0.04410 121 9 C 1S 0.02026 -0.02232 0.00027 0.00100 0.01350 122 2S -0.26955 0.31952 -0.22553 0.18171 0.08466 123 2PX 0.05910 -0.08978 -0.01513 0.07870 0.02113 124 2PY 0.11398 -0.12552 0.08143 -0.07941 -0.03188 125 2PZ 0.04510 -0.03302 0.10267 0.00230 0.11065 126 3S -0.22743 -0.23110 0.44577 -0.54551 -0.57178 127 3PX -0.36695 0.31403 0.46261 -0.46946 -0.29871 128 3PY -0.80283 0.79395 -1.12259 0.39310 -0.21607 129 3PZ -0.65728 0.19067 -0.87487 -0.05868 -0.58282 130 4XX 0.17638 -0.05090 -0.11234 -0.14361 -0.13611 131 4YY 0.01662 0.01906 0.00559 0.07199 0.03625 132 4ZZ -0.14437 -0.06507 0.15655 0.04544 0.10734 133 4XY -0.04298 -0.00151 -0.05868 0.09549 -0.01826 134 4XZ -0.00019 0.09296 -0.21377 0.00072 -0.01785 135 4YZ -0.28587 0.11479 -0.05390 -0.06622 -0.02647 136 10 C 1S 0.01558 -0.02254 -0.01067 0.01431 0.00599 137 2S -0.28685 -0.05565 -0.33263 0.04938 -0.20066 138 2PX -0.01627 0.03322 -0.10192 0.01329 -0.02447 139 2PY -0.03110 0.07404 -0.08418 0.04177 -0.05014 140 2PZ -0.12061 0.01500 -0.07725 0.00523 -0.03020 141 3S 0.83412 0.43443 0.70544 -0.62266 -0.37062 142 3PX -0.29605 -0.14990 0.78075 -0.20779 0.47741 143 3PY 0.77209 -0.56422 0.90303 -0.57859 0.01915 144 3PZ 0.80474 -0.91725 0.71788 -0.31351 0.01783 145 4XX 0.13695 0.08017 0.07310 0.01529 0.02152 146 4YY -0.07975 -0.04819 0.07313 -0.18080 -0.17905 147 4ZZ 0.01567 -0.02775 -0.11600 0.15254 0.19487 148 4XY -0.02620 0.18501 0.05885 0.07569 0.12695 149 4XZ -0.01053 0.29163 0.12117 -0.07236 0.04887 150 4YZ -0.14272 0.24362 0.01414 -0.13829 -0.14401 151 11 C 1S -0.00844 0.02273 0.01923 -0.00685 0.00802 152 2S -0.18189 0.31558 0.19118 -0.24248 -0.02666 153 2PX 0.03408 -0.01837 0.10589 -0.12650 -0.01391 154 2PY 0.02309 -0.01893 -0.01601 0.03044 0.02140 155 2PZ -0.02710 -0.03561 -0.00965 0.03362 -0.01249 156 3S 0.12378 -0.94965 -1.09091 0.76212 -0.19791 157 3PX 0.00419 -0.38252 0.00289 0.12032 0.13793 158 3PY 0.01625 0.37766 0.42707 -0.18165 0.02238 159 3PZ -0.22377 -0.05425 -0.41046 0.34581 0.16193 160 4XX 0.03824 -0.12496 0.31621 0.10051 0.18102 161 4YY -0.01037 -0.06687 0.03514 -0.13174 -0.07228 162 4ZZ -0.02493 0.19849 -0.35121 0.02953 -0.10700 163 4XY 0.02836 -0.13245 0.12515 0.06941 0.07800 164 4XZ 0.01847 0.07159 0.29739 -0.21807 -0.04310 165 4YZ -0.10698 -0.26241 0.02981 -0.02324 -0.01825 166 12 H 1S -0.08172 -0.25726 0.04052 0.13678 0.12121 167 2S -0.10886 0.06805 -0.13911 -0.01791 0.04276 168 13 H 1S 0.04574 0.20016 0.12994 -0.05404 0.01406 169 2S 0.01953 0.05870 0.07801 -0.12459 -0.01338 170 14 C 1S -0.00851 -0.02280 0.00105 0.00542 0.00870 171 2S -0.06148 -0.16759 -0.14732 0.03518 0.06547 172 2PX 0.02678 -0.07899 -0.06885 0.07649 0.02033 173 2PY -0.00113 -0.00722 0.12217 -0.07429 -0.01374 174 2PZ 0.00517 0.00857 -0.04980 0.01108 0.00193 175 3S 0.23702 1.15132 0.09346 -0.30781 -0.40102 176 3PX -0.07414 -0.08605 -0.20567 -0.28849 -0.25771 177 3PY -0.29993 -0.00822 -0.24934 -0.14192 -0.01896 178 3PZ 0.12349 0.42371 -0.12138 -0.06312 -0.21093 179 4XX -0.05236 -0.17661 0.11892 0.03928 0.10827 180 4YY 0.01880 -0.03577 -0.05467 -0.10175 -0.06906 181 4ZZ 0.03413 0.22386 -0.05520 0.04116 -0.05523 182 4XY -0.01071 -0.06382 -0.01723 -0.22598 -0.11002 183 4XZ -0.02015 -0.08938 0.22538 -0.02627 0.10327 184 4YZ -0.05066 -0.02735 -0.10728 0.07879 0.04360 185 15 H 1S 0.03701 0.00173 0.06634 0.24677 0.15409 186 2S 0.08311 -0.07106 0.08600 0.07466 0.04644 187 16 H 1S -0.05609 -0.07366 -0.04917 -0.04864 -0.03443 188 2S -0.00539 0.02916 -0.11774 -0.00586 -0.03021 189 17 C 1S 0.01415 0.01203 -0.01602 0.00999 -0.00733 190 2S 0.10301 0.02399 -0.31919 0.12874 -0.07859 191 2PX 0.05176 0.01272 0.02544 -0.01849 -0.01322 192 2PY -0.01461 -0.00887 -0.11563 -0.01985 -0.04278 193 2PZ -0.02654 0.00422 0.06596 0.02261 0.03954 194 3S -0.82617 -0.32824 0.85282 -0.39064 0.39122 195 3PX 0.24731 0.23080 -0.45718 0.33641 -0.01954 196 3PY 0.18208 -0.24692 0.31358 0.09333 0.13573 197 3PZ 0.11387 0.21698 0.19215 -0.36433 -0.29756 198 4XX -0.08438 -0.10241 -0.06919 -0.01308 -0.01771 199 4YY 0.03758 -0.01963 -0.10753 0.21179 0.12542 200 4ZZ 0.03590 0.12275 0.19141 -0.19638 -0.09418 201 4XY -0.07787 0.03764 -0.03279 -0.09974 -0.08329 202 4XZ -0.16585 -0.11092 0.03924 -0.00671 0.04612 203 4YZ 0.00420 -0.01188 -0.18305 0.10596 0.05496 204 18 C 1S -0.01140 0.00628 0.03663 -0.01997 -0.00333 205 2S -0.19420 0.10405 0.38882 -0.06677 -0.01951 206 2PX 0.02034 -0.03148 0.01857 -0.06456 -0.00175 207 2PY -0.01972 0.03888 0.02236 0.01695 0.02135 208 2PZ -0.04622 -0.02183 -0.02824 0.00220 -0.01521 209 3S 0.50096 -0.02952 -1.83799 0.94965 0.14766 210 3PX 0.20111 -0.18235 0.63781 0.09636 0.15314 211 3PY 0.47628 -0.18700 -0.39712 0.26669 0.03765 212 3PZ -0.08480 -0.20415 0.18895 0.41180 0.62540 213 4XX -0.05766 -0.10104 -0.21875 -0.13869 -0.13015 214 4YY 0.09103 0.05028 -0.06644 0.14540 0.11284 215 4ZZ -0.03200 0.05738 0.27629 0.00315 0.04398 216 4XY -0.00355 0.16608 -0.15244 -0.02021 -0.18270 217 4XZ -0.23307 -0.06503 -0.32549 0.14793 -0.02134 218 4YZ 0.12973 0.13399 -0.11216 -0.07633 -0.14125 219 19 H 1S -0.05858 -0.14163 0.25441 0.01390 0.17248 220 2S 0.04695 -0.07786 0.09665 0.11820 0.13792 221 20 H 1S 0.14112 0.17665 0.00370 -0.22614 -0.23563 222 2S 0.01449 -0.03096 -0.05836 -0.09955 -0.14574 223 21 H 1S 0.03986 0.02690 -0.11786 0.09148 -0.01108 224 2S -0.02146 -0.05115 -0.13850 0.05760 0.01322 225 22 H 1S -0.01684 -0.00449 0.10417 -0.10562 -0.07227 226 2S 0.08353 -0.04953 0.09263 -0.07245 -0.02754 227 23 H 1S 0.30927 -0.44485 0.18630 -0.00392 0.03279 228 2S 0.09659 -0.35905 0.35982 -0.25827 0.01869 229 24 H 1S 0.48058 -0.23236 0.23965 0.01335 0.15145 230 2S 0.24799 0.01852 0.35460 0.06443 0.29003 231 25 H 1S 0.00320 -0.15634 -0.07757 -0.03607 0.13642 232 2S 0.14305 -0.15445 0.23448 -0.06625 0.06618 233 26 H 1S 0.14426 -0.13720 -0.00953 -0.11934 -0.30525 234 2S -0.12262 0.02338 -0.06629 -0.08229 -0.08516 235 27 H 1S 0.08710 -0.05824 0.00965 -0.15286 -0.30220 236 2S -0.12418 -0.12514 0.08988 0.05127 -0.06946 237 28 Br 1S -0.00186 -0.00128 0.00372 0.00117 0.00200 238 2S 0.00745 0.00731 -0.02049 -0.00156 -0.01042 239 3S 0.00068 -0.00615 0.01324 -0.01013 0.00662 240 4S -0.03750 -0.02548 0.08434 0.02520 0.03970 241 5S -0.07411 -0.04250 0.00031 -0.32804 -0.14073 242 6S 0.36020 0.24860 -0.27508 0.71543 0.11275 243 7PX 0.00007 0.00139 0.00287 0.00422 0.00079 244 7PY -0.00152 -0.00172 0.00266 0.00016 0.00041 245 7PZ -0.00035 0.00301 0.00339 0.00761 0.00056 246 8PX -0.00031 -0.00452 -0.00937 -0.01381 -0.00235 247 8PY 0.00501 0.00558 -0.00862 -0.00026 -0.00111 248 8PZ 0.00062 -0.01023 -0.01107 -0.02450 -0.00130 249 9PX 0.00331 0.01152 0.02864 0.04251 -0.00593 250 9PY -0.02672 -0.02019 0.02208 -0.01952 -0.01234 251 9PZ 0.01649 0.05159 0.03271 0.05436 -0.02170 252 10PX 0.01867 0.06602 0.02261 0.08048 0.06867 253 10PY 0.09152 0.04354 0.06986 0.17869 0.09043 254 10PZ 0.00900 0.00268 0.06154 0.28296 0.04455 255 11XX -0.00520 0.00043 -0.00222 0.01602 -0.00338 256 11YY -0.00856 0.00034 -0.00752 0.01240 -0.00144 257 11ZZ 0.00706 0.00614 -0.00679 -0.00809 -0.00048 258 11XY -0.00070 -0.00208 -0.00656 -0.00109 -0.00143 259 11XZ 0.00177 -0.00573 -0.00283 -0.00838 -0.01041 260 11YZ 0.00140 0.00497 -0.00570 -0.01321 -0.00791 261 12XX -0.08449 -0.04475 0.13756 -0.11896 0.03714 262 12YY -0.06477 -0.05547 0.18662 -0.09170 0.02709 263 12ZZ -0.14328 -0.05735 0.18925 0.09338 -0.00501 264 12XY 0.00281 0.02107 0.05364 0.03062 0.01189 265 12XZ -0.00013 0.05460 0.03293 0.08925 0.06996 266 12YZ 0.00662 -0.02013 0.05254 0.10964 0.05706 267 29 C 1S 0.00479 0.01740 0.01682 0.01358 0.01035 268 2S 0.13359 0.08591 0.05267 0.05251 0.11146 269 2PX -0.00254 -0.01657 0.02482 0.02023 -0.02712 270 2PY -0.02705 0.01982 0.05069 0.05858 -0.01825 271 2PZ -0.02598 0.07292 0.04648 0.03116 0.00941 272 3S -0.21278 -1.05586 -0.50049 -0.74835 -0.28484 273 3PX 0.24364 -0.14890 -0.00656 0.19787 -0.23592 274 3PY -0.04315 0.32921 0.20848 0.43125 -0.11416 275 3PZ 0.25135 0.53092 -0.05585 0.13425 0.35673 276 4XX -0.14145 0.26098 0.03906 0.16357 0.04142 277 4YY 0.19981 -0.09904 -0.03595 -0.03053 0.07885 278 4ZZ -0.05859 -0.12679 0.02819 -0.10833 -0.11581 279 4XY -0.17861 -0.20397 -0.00249 0.22538 -0.29650 280 4XZ -0.19580 0.16995 -0.09078 -0.24231 0.27507 281 4YZ -0.18809 -0.16887 -0.03553 -0.04665 -0.07792 282 30 H 1S 0.01135 -0.13794 -0.01297 0.04468 -0.10038 283 2S 0.02075 -0.03091 0.05477 0.01016 -0.01266 284 31 H 1S -0.12051 -0.05023 0.07794 0.24162 -0.14787 285 2S -0.02480 -0.00382 0.14659 -0.01558 -0.04742 286 32 H 1S 0.04498 0.17918 -0.00584 -0.23913 0.28779 287 2S -0.03458 -0.00127 0.05226 -0.00483 0.04395 288 33 H 1S -0.12769 0.05236 -0.04337 0.02726 0.03280 289 2S 0.01886 -0.11230 0.02717 0.00139 0.16984 290 34 H 1S -0.17135 0.05595 0.15121 -0.04244 -0.19739 291 2S 0.01555 0.07015 -0.02458 -0.00119 -0.04305 292 35 H 1S 0.00708 -0.01551 -0.04758 -0.10844 0.02859 293 2S 0.17150 -0.01887 -0.03860 0.01591 0.02128 294 36 H 1S 0.11990 0.15820 0.11870 -0.02546 -0.10035 295 2S -0.04353 0.07186 0.04524 0.02938 -0.01229 296 37 H 1S 0.01621 0.04965 -0.01251 0.04974 -0.08319 297 2S -0.09819 -0.00288 -0.01590 -0.06675 -0.09590 298 38 H 1S -0.07352 -0.13999 -0.14359 -0.23535 0.15386 299 2S 0.01169 -0.03872 -0.02372 -0.02647 0.07502 300 39 H 1S -0.13259 0.08018 0.19849 0.09076 -0.14395 301 2S -0.04074 0.10558 0.14470 0.17912 -0.13743 302 40 H 1S 0.13239 -0.06573 -0.14650 0.15366 0.15162 303 2S 0.04674 -0.06546 -0.00677 -0.03522 0.00739 251 252 253 254 255 V V V V V Eigenvalues -- 2.10116 2.12292 2.13761 2.15087 2.16550 1 1 C 1S -0.00727 0.01186 -0.02176 -0.03201 0.01723 2 2S -0.15217 0.15148 -0.19890 -0.19288 0.11187 3 2PX -0.05008 0.02042 0.06609 0.01151 -0.06093 4 2PY 0.02295 0.01191 -0.06054 0.00759 -0.01397 5 2PZ -0.00964 0.00919 -0.00321 -0.01993 -0.02257 6 3S 0.25454 -0.74349 0.87578 1.21449 -0.92226 7 3PX 0.00242 -0.44276 0.48132 0.39663 -0.53520 8 3PY -0.06010 -0.02289 0.38197 0.54993 0.26503 9 3PZ -0.07334 -0.09353 -0.29065 -0.27369 0.09814 10 4XX -0.05152 -0.10389 0.27225 -0.06291 0.03826 11 4YY 0.05012 0.08475 -0.16726 -0.22147 0.20984 12 4ZZ 0.02257 0.00873 -0.11395 0.28757 -0.23681 13 4XY -0.04632 -0.09829 -0.04495 -0.00669 0.23597 14 4XZ -0.12000 -0.04804 -0.21209 0.09647 0.02852 15 4YZ -0.11474 -0.03868 -0.22508 0.11446 -0.26335 16 2 C 1S 0.02589 0.00326 -0.01257 0.01622 0.00694 17 2S 0.13769 -0.11057 -0.19049 0.15167 0.16094 18 2PX -0.03712 -0.05074 -0.02934 0.01685 -0.00561 19 2PY -0.04319 -0.01021 0.02133 0.06810 -0.04269 20 2PZ 0.01454 0.02854 -0.05764 -0.04079 0.03058 21 3S -0.87573 0.03526 0.27098 -0.58500 -0.65964 22 3PX -0.36349 0.04539 0.47638 -0.37926 -0.07544 23 3PY -0.05503 -0.03661 -0.16123 0.09918 -0.33753 24 3PZ 0.05091 -0.11894 -0.35171 -0.19852 -0.27735 25 4XX 0.02687 0.08692 -0.36864 0.07231 -0.26828 26 4YY -0.02960 -0.00878 0.16238 -0.10079 0.17329 27 4ZZ 0.01458 -0.05017 0.20729 0.02916 0.04516 28 4XY -0.04812 -0.07860 0.25521 0.03283 -0.08498 29 4XZ -0.10512 -0.06561 0.09119 -0.16696 0.01642 30 4YZ -0.09898 -0.07116 0.10415 0.05003 0.06385 31 3 C 1S -0.02116 -0.01019 0.02303 0.01079 -0.02724 32 2S -0.25772 -0.09294 0.16607 0.05054 -0.16645 33 2PX -0.02693 0.01750 0.06129 -0.08419 0.04375 34 2PY 0.03186 -0.00233 0.01714 -0.04080 0.01169 35 2PZ 0.01054 -0.01104 -0.03632 0.01586 -0.02672 36 3S 0.71704 0.38125 -0.78854 -0.26771 0.76771 37 3PX -0.03882 0.15683 -0.33512 -0.13429 0.02674 38 3PY -0.40725 -0.08801 0.29841 0.21502 -0.48678 39 3PZ 0.26685 0.19357 -0.04094 -0.06015 0.38125 40 4XX -0.02810 0.00376 0.00136 -0.03770 -0.03454 41 4YY 0.06390 0.02946 -0.06688 -0.02742 0.10729 42 4ZZ -0.03185 -0.03569 0.05731 0.07405 -0.08793 43 4XY 0.12584 0.02384 0.00537 -0.03587 -0.05385 44 4XZ -0.09344 -0.11335 0.02369 -0.00101 -0.11805 45 4YZ 0.08452 0.00342 -0.17647 -0.13175 0.08849 46 4 C 1S -0.00061 0.00964 0.00096 -0.02212 0.01743 47 2S 0.09207 0.11870 -0.12128 -0.19744 0.08738 48 2PX 0.03707 -0.01942 -0.06430 0.02212 0.04751 49 2PY -0.02085 -0.00652 0.03737 -0.03278 0.00330 50 2PZ 0.07570 -0.01491 -0.04859 0.02949 -0.01723 51 3S -0.06464 -0.50588 0.06898 1.05492 -0.52251 52 3PX -0.10519 0.13820 -0.32408 -0.34627 0.15381 53 3PY 0.25829 0.09762 0.34411 -0.54868 0.53776 54 3PZ 0.37346 -0.15182 -0.13912 0.13510 -0.05551 55 4XX 0.05966 -0.03638 0.11226 -0.08164 -0.01802 56 4YY -0.07846 -0.05952 -0.06764 -0.12674 0.32454 57 4ZZ -0.01197 0.08007 0.01743 0.21135 -0.28886 58 4XY 0.11891 -0.01426 0.22311 -0.28100 0.31921 59 4XZ -0.01303 0.00763 -0.13260 -0.08019 -0.09422 60 4YZ -0.41020 0.16286 0.14519 0.11703 -0.20500 61 5 C 1S 0.04228 -0.07929 -0.08209 0.01087 -0.04294 62 2S -0.03535 -0.58710 -0.14941 -0.04529 -0.25222 63 2PX -0.03712 -0.02018 0.01154 -0.02880 -0.14926 64 2PY 0.02107 0.08273 0.03516 -0.00064 0.03852 65 2PZ 0.05409 0.00987 0.06171 -0.04335 0.00390 66 3S -0.29503 3.17529 2.56569 -0.03912 1.75192 67 3PX 1.48079 0.59423 -0.29431 0.57624 0.32249 68 3PY -0.66213 -0.90482 -0.30410 -0.15806 -0.24588 69 3PZ -0.83578 0.10905 -0.25243 0.58051 0.20572 70 4XX 0.11335 -0.00977 0.03197 0.04539 -0.04734 71 4YY 0.07269 0.08987 -0.24292 0.03196 0.07349 72 4ZZ -0.10557 -0.08607 0.11051 -0.05497 -0.03980 73 4XY -0.05418 -0.06624 0.07901 0.02262 -0.02759 74 4XZ -0.00056 -0.00451 0.02333 -0.07721 0.11817 75 4YZ 0.06206 0.05823 0.03920 0.00173 0.00200 76 6 C 1S -0.01948 0.02068 0.01258 -0.00413 -0.01898 77 2S -0.18288 0.21262 -0.14120 0.05559 0.04928 78 2PX 0.02605 -0.01011 0.08571 -0.05068 0.10092 79 2PY 0.08987 -0.13261 0.01848 0.07290 0.02311 80 2PZ 0.06735 -0.04887 -0.03313 0.01842 0.00602 81 3S 0.28277 -0.76377 -0.29297 -0.43538 0.62405 82 3PX -0.28415 -0.97993 0.58648 0.49596 -1.17503 83 3PY 0.62532 0.23172 -1.74543 -0.41532 -0.43351 84 3PZ -0.37778 0.44111 0.54558 -0.06382 0.26417 85 4XX -0.07845 -0.06034 -0.12050 -0.07945 0.04102 86 4YY 0.35770 -0.00991 0.14055 -0.05914 -0.11814 87 4ZZ -0.31520 0.08115 0.04454 0.08132 0.01605 88 4XY 0.06137 -0.07896 -0.18453 0.04656 -0.08376 89 4XZ -0.20530 -0.00782 0.03364 0.06213 0.14462 90 4YZ 0.16135 0.14998 0.14576 -0.30193 -0.07895 91 7 C 1S -0.01294 0.01034 0.03055 0.00097 0.00770 92 2S -0.33556 0.40445 0.08618 -0.24428 0.14633 93 2PX 0.00839 -0.02383 -0.00375 0.04568 -0.00710 94 2PY -0.05815 0.10136 -0.08508 -0.06748 0.01079 95 2PZ 0.07293 -0.05719 -0.00266 0.03017 -0.03552 96 3S 1.45013 -0.79312 -1.55145 0.07709 -0.54801 97 3PX 0.71914 -0.60510 0.28503 -0.25648 0.16225 98 3PY 0.62494 -0.08023 -0.56977 -0.09951 -0.27345 99 3PZ -0.21200 0.09600 0.18324 -0.06495 0.09577 100 4XX -0.02724 -0.14022 0.01165 -0.13440 -0.08244 101 4YY 0.17972 0.07925 -0.11097 -0.08677 -0.08907 102 4ZZ -0.09606 -0.02906 0.11787 0.30599 0.13941 103 4XY -0.04595 0.03295 -0.13496 0.03441 0.04112 104 4XZ 0.10178 -0.16295 0.08004 0.24274 -0.00521 105 4YZ 0.30808 -0.09248 0.25928 -0.16536 -0.08523 106 8 C 1S 0.04987 -0.05167 0.00712 -0.00211 -0.02173 107 2S 0.44150 -0.39536 -0.04618 0.08324 -0.18108 108 2PX -0.05887 -0.00449 -0.00713 -0.02766 -0.01310 109 2PY -0.03541 0.04962 -0.02764 0.00467 -0.01287 110 2PZ 0.04034 -0.00726 0.02314 -0.01194 -0.02359 111 3S -2.62974 2.30874 -0.25684 0.04221 0.84171 112 3PX 0.05529 -0.15908 -0.22723 -0.02480 0.11920 113 3PY -0.70496 0.58514 -0.07783 0.09754 0.37435 114 3PZ 0.52015 -0.64496 -0.13250 -0.12959 -0.31573 115 4XX -0.03343 -0.04435 0.06498 -0.09464 -0.04852 116 4YY 0.09627 0.09037 0.13173 0.18046 0.22651 117 4ZZ -0.07269 -0.04146 -0.16989 -0.09572 -0.17443 118 4XY 0.04038 -0.03506 -0.18089 -0.02395 -0.13690 119 4XZ 0.16063 -0.10277 0.06186 0.25334 -0.01878 120 4YZ 0.09463 -0.24480 0.05038 -0.00027 -0.03853 121 9 C 1S -0.07006 0.04788 -0.02104 -0.04088 -0.00072 122 2S -0.72457 0.38031 -0.10615 -0.22866 0.13767 123 2PX -0.01054 0.01702 0.08588 -0.03420 -0.01915 124 2PY 0.09091 -0.04302 -0.03613 -0.01392 -0.03023 125 2PZ 0.02874 -0.02719 -0.00154 -0.01150 -0.03903 126 3S 3.54984 -2.03772 0.72275 1.49669 -0.26967 127 3PX -0.83073 0.82769 -0.15777 0.36057 0.66763 128 3PY -0.52148 0.74096 -0.27904 0.29979 0.37355 129 3PZ -0.70631 0.61303 -0.02905 -0.60065 -0.03984 130 4XX -0.08384 -0.03309 0.01523 -0.13840 -0.06141 131 4YY 0.22623 0.17174 0.02458 0.13800 0.01344 132 4ZZ -0.09688 -0.16977 -0.01654 -0.01179 0.00652 133 4XY 0.02008 -0.18908 0.04724 -0.14074 -0.06307 134 4XZ 0.05666 -0.01832 -0.03391 -0.04246 -0.06560 135 4YZ 0.00673 -0.05104 0.11554 0.03573 -0.04143 136 10 C 1S 0.06690 -0.00740 0.00154 0.03105 -0.00282 137 2S 0.52850 -0.12658 0.11886 0.25140 -0.23924 138 2PX -0.01913 0.00456 -0.04831 -0.02094 0.07218 139 2PY -0.05876 0.06044 0.00439 0.00275 0.00391 140 2PZ 0.04983 0.03917 0.04475 0.04066 0.01930 141 3S -3.07304 -0.20062 -0.49294 -1.10999 0.20114 142 3PX 0.43012 1.11854 0.98904 -0.08858 0.01190 143 3PY 0.62117 -1.25370 -0.00100 0.16503 -0.33729 144 3PZ -0.91749 -0.37284 -0.32237 -0.79399 -0.45462 145 4XX 0.07924 -0.18266 -0.06070 0.08836 0.01344 146 4YY -0.06507 0.29123 -0.05420 -0.05648 0.01878 147 4ZZ -0.01987 -0.15115 0.10617 -0.03701 0.04203 148 4XY 0.00359 -0.04093 0.19535 0.05520 0.02220 149 4XZ -0.11195 0.00480 0.08307 -0.07429 0.00961 150 4YZ -0.05146 -0.19352 0.00531 0.00502 0.03137 151 11 C 1S -0.00149 0.00148 0.01431 0.01818 0.01612 152 2S 0.05233 0.05878 0.03214 0.24958 0.27360 153 2PX -0.04338 0.14175 0.02575 -0.03621 -0.02258 154 2PY -0.00084 0.00955 0.02833 -0.01023 -0.00902 155 2PZ 0.00458 -0.02313 -0.02039 0.02278 0.02654 156 3S -0.22655 -0.07216 -0.50142 -0.95846 -0.69338 157 3PX 0.17187 -0.55517 -0.06378 -0.21189 0.02316 158 3PY -0.09211 0.14481 0.30822 0.25527 0.14083 159 3PZ 0.41629 0.17404 0.10658 0.36913 0.17950 160 4XX 0.07029 -0.06199 0.11258 0.03730 -0.01424 161 4YY -0.09443 -0.18039 -0.09792 -0.13561 -0.09520 162 4ZZ -0.01427 0.23971 -0.00399 0.04906 0.07567 163 4XY 0.11741 0.12685 -0.01271 0.18233 0.13143 164 4XZ -0.12634 -0.10670 0.06279 -0.08860 -0.07851 165 4YZ -0.02433 0.10432 0.02101 0.04186 0.12503 166 12 H 1S 0.14058 0.08002 0.01684 0.16292 0.18343 167 2S 0.16433 -0.11493 0.00827 0.11719 0.04895 168 13 H 1S -0.03863 -0.13524 -0.00190 -0.02739 -0.04625 169 2S -0.03602 0.07928 -0.03430 -0.02082 0.00342 170 14 C 1S -0.00829 0.00889 0.00947 -0.02791 -0.00880 171 2S -0.09046 0.26775 0.06234 -0.24786 -0.06298 172 2PX 0.06400 -0.01926 -0.03508 0.01501 0.00588 173 2PY -0.01301 -0.03638 0.02230 -0.02559 -0.00524 174 2PZ 0.01260 0.03249 -0.01283 0.00673 0.01316 175 3S 0.20323 -0.37638 -0.34280 1.10875 0.36215 176 3PX -0.29176 0.17760 -0.21475 -0.50668 -0.13253 177 3PY -0.13125 0.84620 0.12638 -0.09365 0.13129 178 3PZ -0.08029 0.04477 -0.21757 0.29753 0.11534 179 4XX 0.10505 0.13310 0.09199 0.03464 0.05230 180 4YY -0.10941 -0.13075 -0.11968 -0.22642 -0.05582 181 4ZZ 0.00183 -0.00807 0.02066 0.19594 0.00983 182 4XY -0.02451 0.36167 -0.09835 -0.10322 0.06857 183 4XZ 0.12355 -0.09819 0.08655 0.07754 -0.06351 184 4YZ 0.02538 -0.05305 0.12329 0.06888 -0.07995 185 15 H 1S 0.07318 -0.31434 0.13821 0.12449 -0.08854 186 2S 0.07553 -0.12950 -0.00765 0.03916 -0.00100 187 16 H 1S -0.09290 0.18590 -0.04839 -0.19103 0.03985 188 2S -0.09634 0.21008 -0.02986 -0.00840 0.00502 189 17 C 1S 0.00378 -0.02940 -0.02392 0.01400 -0.00024 190 2S 0.06246 -0.11532 -0.19955 0.08913 -0.03281 191 2PX -0.01864 -0.04948 -0.03049 -0.00357 -0.00443 192 2PY -0.04511 0.05132 -0.03985 -0.06490 -0.01614 193 2PZ 0.02842 -0.02407 0.04640 0.03811 -0.00274 194 3S -0.02632 1.20310 1.01943 -0.30891 0.20929 195 3PX 0.22824 -0.30331 -0.40263 0.31718 0.03098 196 3PY -0.08786 -0.50055 0.10517 -0.26795 -0.21041 197 3PZ -0.26129 -0.36070 -0.18104 -0.23702 -0.08813 198 4XX 0.16101 0.28065 0.05506 0.23239 0.14679 199 4YY -0.03533 -0.31472 -0.02460 -0.15850 -0.08657 200 4ZZ -0.11182 0.04634 -0.02472 -0.05086 -0.04111 201 4XY -0.24762 -0.02317 0.05353 -0.20097 -0.07030 202 4XZ -0.08142 -0.04134 0.15716 -0.18964 -0.12799 203 4YZ 0.12952 0.10196 0.00899 0.05047 -0.01443 204 18 C 1S 0.00966 0.01352 0.02667 0.01959 0.01587 205 2S 0.21254 0.29024 0.26743 0.18572 0.21012 206 2PX 0.11294 -0.00980 -0.00667 0.10829 -0.00597 207 2PY 0.05607 0.02618 0.00827 0.02903 -0.00040 208 2PZ -0.08119 -0.01096 0.00355 -0.07992 -0.03082 209 3S -0.84093 -0.68013 -0.99155 -0.79577 -0.68537 210 3PX 0.41221 -0.43661 0.28981 0.31746 0.06131 211 3PY -0.02381 -0.41147 -0.39828 -0.25684 -0.24500 212 3PZ 0.19595 0.21281 0.33320 0.15395 -0.03057 213 4XX -0.15942 0.28036 -0.09111 -0.10302 -0.00455 214 4YY 0.13078 -0.23740 0.00507 -0.01391 -0.09675 215 4ZZ 0.02768 -0.08728 0.09888 0.14274 0.08651 216 4XY 0.01570 -0.02632 -0.05793 0.10979 0.13001 217 4XZ 0.01354 0.19727 0.16452 0.03840 0.03095 218 4YZ 0.12758 0.05062 -0.13383 0.04724 0.11641 219 19 H 1S -0.01205 0.06098 0.16136 0.00788 -0.04578 220 2S 0.18459 -0.02095 0.04473 0.06084 0.01569 221 20 H 1S 0.04620 0.00650 -0.18589 0.00741 0.10264 222 2S -0.03859 0.00741 -0.03911 -0.07205 -0.02110 223 21 H 1S 0.11759 0.02168 -0.10148 0.21797 0.11345 224 2S 0.04412 0.13273 0.02379 0.04003 -0.00482 225 22 H 1S -0.26047 -0.26519 0.02243 -0.28349 -0.16156 226 2S -0.08217 -0.09099 -0.01297 -0.07708 -0.04046 227 23 H 1S 0.28306 -0.06373 -0.08324 0.05911 -0.17954 228 2S -0.03659 -0.29056 0.09279 -0.18859 -0.19110 229 24 H 1S -0.15388 0.04219 -0.08719 -0.11060 0.01498 230 2S 0.21225 -0.26245 0.11347 0.02914 -0.14387 231 25 H 1S 0.10962 -0.10032 -0.10381 -0.07428 -0.18241 232 2S 0.06583 -0.10192 0.00303 0.08565 0.05539 233 26 H 1S 0.16536 -0.06821 0.14824 0.07647 0.08957 234 2S 0.01198 0.05027 0.04046 0.09607 0.00412 235 27 H 1S 0.20998 -0.13645 0.23755 -0.02932 -0.03233 236 2S 0.15954 -0.00976 -0.06180 -0.08831 0.02879 237 28 Br 1S -0.00403 0.00223 -0.00134 -0.00011 -0.00159 238 2S 0.01931 -0.00666 0.00688 -0.00589 0.00890 239 3S -0.00602 -0.01052 -0.00545 0.02044 -0.00648 240 4S -0.09111 0.05821 -0.02104 -0.00853 -0.03466 241 5S -0.11137 0.04770 0.20621 0.03129 0.00979 242 6S 0.56485 -0.25104 -0.33088 -0.06561 0.12899 243 7PX -0.00373 0.00417 -0.00041 -0.00094 0.00256 244 7PY -0.00487 0.00623 0.00023 -0.00224 -0.00269 245 7PZ -0.00495 0.00784 -0.00018 -0.00572 0.00012 246 8PX 0.01251 -0.01387 0.00121 0.00303 -0.00855 247 8PY 0.01590 -0.02056 -0.00112 0.00751 0.00887 248 8PZ 0.01621 -0.02593 -0.00012 0.01858 -0.00068 249 9PX -0.05752 0.05576 0.00094 -0.00703 0.03622 250 9PY -0.04867 0.07032 0.02271 -0.03298 -0.03550 251 9PZ -0.05681 0.09620 0.03346 -0.05055 0.01726 252 10PX 0.03400 0.01090 0.00800 -0.02333 -0.00322 253 10PY -0.05123 0.09510 -0.11288 0.00229 0.04783 254 10PZ 0.00549 0.03527 -0.08734 -0.11567 -0.03710 255 11XX -0.00695 0.01180 -0.00312 -0.01631 0.00754 256 11YY 0.00705 0.00268 0.00173 -0.01837 -0.00421 257 11ZZ 0.00243 0.00469 0.00383 0.00180 0.00416 258 11XY -0.00464 -0.00220 -0.00483 0.00197 -0.00551 259 11XZ 0.00176 -0.00107 0.00489 0.00265 0.00084 260 11YZ 0.00776 -0.00746 0.01241 0.00297 0.00237 261 12XX -0.19111 0.12209 0.06802 0.00907 -0.08893 262 12YY -0.28599 0.21497 0.02672 0.01210 -0.02874 263 12ZZ -0.24591 0.19763 0.03963 -0.14461 -0.06735 264 12XY 0.01659 0.03305 0.02782 -0.01681 0.05003 265 12XZ -0.03687 0.03888 -0.01890 -0.02716 0.01025 266 12YZ -0.07124 0.09285 -0.08392 -0.03859 -0.01511 267 29 C 1S -0.02087 0.00904 0.00426 -0.00552 0.01107 268 2S -0.13529 0.01094 -0.00643 -0.09030 -0.01296 269 2PX -0.05599 -0.05118 -0.01536 0.00058 0.04814 270 2PY -0.04799 0.04206 0.05546 0.03310 0.06139 271 2PZ -0.04936 0.05623 0.03866 0.00341 0.02011 272 3S 1.01520 -0.39727 -0.17742 -0.00500 -0.39021 273 3PX -0.35904 -0.11054 -0.11312 0.02034 0.18852 274 3PY -0.34759 0.32885 0.22334 0.29442 -0.03892 275 3PZ -0.13051 0.15944 0.11342 -0.18582 0.24867 276 4XX -0.06288 0.25842 0.43130 0.13969 -0.12230 277 4YY -0.06653 -0.15809 -0.10447 0.06324 0.16845 278 4ZZ 0.10105 -0.08433 -0.31507 -0.19837 -0.00539 279 4XY -0.21230 -0.33702 -0.08765 0.34788 0.44305 280 4XZ 0.27797 -0.09429 -0.20756 -0.13294 0.17343 281 4YZ 0.20141 -0.04864 -0.04277 0.15059 -0.30868 282 30 H 1S -0.10030 -0.26889 -0.30371 0.03703 0.41132 283 2S -0.14005 0.03876 0.08555 -0.07926 -0.12051 284 31 H 1S -0.12595 0.04500 0.19023 0.26512 -0.16272 285 2S -0.10708 0.05816 -0.04586 0.03323 0.01960 286 32 H 1S 0.24731 0.18383 -0.05296 -0.30056 -0.25535 287 2S -0.05399 -0.13302 -0.00671 -0.04187 0.13670 288 33 H 1S 0.30773 -0.10894 -0.04890 -0.28205 0.30704 289 2S 0.07371 0.12262 0.03165 -0.07548 0.03061 290 34 H 1S -0.11448 0.08582 -0.09579 0.29983 -0.38605 291 2S 0.01234 -0.03455 -0.08562 -0.02496 -0.01183 292 35 H 1S -0.16117 -0.06241 0.17591 0.10226 -0.16838 293 2S 0.00328 -0.04885 -0.08489 -0.08003 0.06858 294 36 H 1S 0.09552 0.07251 -0.06968 -0.08822 0.11123 295 2S 0.06039 0.03165 -0.05308 -0.04219 0.09709 296 37 H 1S 0.15406 0.04762 -0.33324 0.07310 -0.14071 297 2S 0.02176 -0.09961 -0.06062 -0.04860 -0.05328 298 38 H 1S -0.02912 -0.06533 0.34763 -0.07818 0.17901 299 2S -0.02871 0.04311 0.12429 -0.05483 0.03574 300 39 H 1S 0.05717 0.06603 0.13817 -0.30787 0.22393 301 2S -0.07684 0.07453 -0.08495 0.04706 -0.07928 302 40 H 1S -0.05734 0.03682 -0.02193 0.16380 -0.19723 303 2S -0.00513 -0.09406 0.22446 0.10876 0.10287 256 257 258 259 260 V V V V V Eigenvalues -- 2.17472 2.20090 2.20579 2.22381 2.23622 1 1 C 1S -0.00540 0.03823 0.03920 0.00203 0.01960 2 2S 0.01143 0.42497 0.40423 -0.05298 0.00836 3 2PX -0.05095 0.02998 -0.07140 0.02291 -0.02570 4 2PY 0.03936 -0.00638 0.05974 -0.02084 -0.01902 5 2PZ -0.06344 0.04050 -0.02505 0.01344 0.06387 6 3S -0.03687 -2.00791 -2.37155 -0.01295 -0.52836 7 3PX -0.01178 -0.35512 -0.89336 0.15249 -0.31372 8 3PY 0.10347 -0.20403 -0.24032 -0.13305 0.01952 9 3PZ 0.10427 0.64314 0.34444 0.16820 0.10368 10 4XX -0.04051 -0.11141 0.02419 0.24878 -0.24526 11 4YY 0.04486 0.02728 0.25501 0.03912 0.20402 12 4ZZ -0.02278 0.02262 -0.30130 -0.26243 0.07332 13 4XY -0.29836 -0.25556 0.27217 0.01162 0.15411 14 4XZ 0.01220 0.07215 0.11261 0.03895 0.02456 15 4YZ 0.01106 0.33143 -0.21835 0.02086 0.07568 16 2 C 1S 0.03132 -0.01724 -0.02091 -0.02841 -0.00060 17 2S 0.26546 -0.12171 -0.24662 -0.13207 -0.00033 18 2PX -0.00929 0.01664 -0.02503 0.01957 -0.00590 19 2PY -0.01659 -0.01868 -0.06292 0.04770 -0.02332 20 2PZ -0.01012 0.03893 0.05669 0.03352 0.06255 21 3S -1.17858 0.61398 0.91405 0.81738 -0.02640 22 3PX -0.61808 0.19189 0.29563 0.34388 -0.05411 23 3PY -0.35677 -0.43778 0.01771 0.15361 -0.07735 24 3PZ 0.05238 0.38038 -0.00466 0.08931 -0.04202 25 4XX -0.08035 -0.08281 0.02152 0.29746 0.07283 26 4YY 0.13529 0.09070 0.12440 -0.00306 -0.10678 27 4ZZ -0.06108 -0.00372 -0.12512 -0.31793 0.02639 28 4XY -0.23056 -0.10247 -0.10070 -0.00603 -0.11085 29 4XZ -0.08827 0.13818 0.01017 0.01097 -0.07302 30 4YZ 0.09482 -0.09886 0.02065 -0.21687 -0.25739 31 3 C 1S -0.03818 -0.02016 -0.02302 0.02020 -0.01437 32 2S -0.29046 -0.24014 -0.11567 0.01793 -0.11461 33 2PX -0.00941 0.05922 0.08883 0.01036 0.01497 34 2PY -0.03245 0.01763 0.00654 0.07906 -0.00552 35 2PZ -0.01440 -0.05303 -0.03435 0.00273 -0.00994 36 3S 1.51833 0.98329 0.67051 -0.57247 0.39610 37 3PX 0.03324 0.08940 0.51769 0.07041 0.14910 38 3PY -0.68963 -0.39194 -0.14762 0.26548 -0.12828 39 3PZ 0.04174 -0.22642 0.15655 -0.04673 0.23569 40 4XX -0.05401 0.07564 -0.00264 -0.05351 0.08722 41 4YY 0.14853 -0.02035 0.08179 -0.08664 -0.05326 42 4ZZ -0.07555 -0.01348 -0.10878 0.17581 -0.03730 43 4XY -0.08003 -0.18864 -0.10662 -0.00192 -0.01716 44 4XZ 0.06631 0.30540 0.04416 0.04377 -0.18609 45 4YZ -0.22485 -0.43687 0.01287 0.21543 -0.01889 46 4 C 1S 0.00641 0.03205 0.04894 -0.00021 0.02741 47 2S 0.14667 0.35665 0.51894 0.24224 0.10166 48 2PX 0.03110 -0.03464 -0.08477 -0.02759 0.06827 49 2PY -0.01303 -0.02365 0.02919 -0.01604 0.00327 50 2PZ 0.02282 -0.00350 -0.04016 0.02613 -0.02056 51 3S -0.34232 -1.07534 -2.43278 -0.36108 -1.08114 52 3PX 0.38383 0.49787 0.22560 -0.14263 -0.27204 53 3PY 0.09232 0.52393 0.51856 0.27772 0.19148 54 3PZ 0.07313 -0.15511 -0.70912 -0.02438 -0.23016 55 4XX -0.13562 0.01815 -0.07399 0.10978 -0.06284 56 4YY 0.23345 0.04538 -0.10975 -0.23780 0.03478 57 4ZZ -0.11976 -0.08340 0.13335 0.03967 0.08046 58 4XY 0.02205 0.05588 0.03134 0.05340 0.03212 59 4XZ 0.04621 0.25208 0.09464 0.01563 -0.07587 60 4YZ -0.07739 0.13666 0.28518 0.07703 -0.01863 61 5 C 1S -0.00348 -0.02769 -0.10159 -0.03711 -0.03367 62 2S 0.15443 -0.14768 -0.83619 -0.26021 -0.15800 63 2PX -0.06355 -0.00402 0.00945 -0.02029 -0.02580 64 2PY 0.01891 0.05772 0.02175 0.03156 -0.08700 65 2PZ 0.02196 0.00104 0.08628 0.00046 0.09863 66 3S -0.00304 1.07200 5.05999 1.33818 1.69660 67 3PX 0.62271 0.03502 -0.17525 -0.27567 0.40424 68 3PY -0.36970 -0.74193 -0.96059 -0.45716 -0.26808 69 3PZ 0.14350 -0.11913 -0.72452 0.03362 -1.00248 70 4XX -0.14160 -0.09139 -0.03250 0.09556 -0.02844 71 4YY 0.09411 0.04028 -0.04048 -0.20023 0.24409 72 4ZZ 0.00741 0.02989 0.09188 0.09699 -0.23090 73 4XY -0.15453 -0.04877 -0.02141 0.11395 -0.04652 74 4XZ -0.09771 0.12904 0.08788 0.03851 0.02857 75 4YZ -0.00975 0.01717 0.03849 0.03877 0.12711 76 6 C 1S 0.01148 0.01155 -0.00044 0.02327 -0.01001 77 2S -0.20371 -0.00730 0.11911 0.10813 0.38620 78 2PX 0.03822 -0.02000 0.03655 0.05517 -0.08768 79 2PY 0.13191 0.00073 -0.02715 -0.08076 0.06205 80 2PZ -0.00625 0.01807 0.01243 -0.00459 0.02751 81 3S -0.54026 -1.01931 -0.90566 -0.79503 -0.68733 82 3PX -0.63017 -1.38432 -2.54043 -0.11304 -0.79289 83 3PY 0.82980 1.15436 -0.29405 -0.34436 0.31653 84 3PZ -0.35734 -0.20734 0.76640 0.14363 0.23037 85 4XX -0.06215 0.02935 0.12787 0.03059 0.09263 86 4YY -0.05593 0.01609 -0.11425 -0.11502 -0.03445 87 4ZZ 0.14511 -0.04889 -0.01555 0.09062 -0.21374 88 4XY -0.09204 -0.07829 -0.07380 -0.00410 -0.03131 89 4XZ -0.06893 0.08104 0.16856 0.14367 0.10737 90 4YZ -0.03423 0.02691 -0.12695 0.01933 0.17666 91 7 C 1S -0.01378 -0.02778 -0.01134 0.01228 -0.01829 92 2S -0.32985 -0.60950 -0.51463 0.17781 -0.34566 93 2PX -0.09571 -0.08632 -0.09926 -0.06854 -0.06834 94 2PY 0.03395 0.00174 -0.00666 0.06898 -0.00476 95 2PZ 0.04101 0.04546 0.07883 -0.03905 0.02082 96 3S 0.96739 2.37999 1.81534 -0.54500 1.38063 97 3PX -0.01135 0.17072 1.59828 -0.19081 0.52667 98 3PY 0.80668 0.91444 0.51262 -0.24049 0.53990 99 3PZ -0.55006 -0.54501 -0.63674 0.06537 -0.21640 100 4XX -0.13331 -0.03589 0.05590 -0.12332 0.06292 101 4YY 0.20495 0.13986 -0.08761 -0.04186 0.07575 102 4ZZ -0.04297 -0.00843 0.17776 0.13468 -0.07326 103 4XY -0.23721 -0.14579 0.24344 -0.00633 0.08572 104 4XZ 0.33595 -0.11493 0.21552 -0.00489 -0.17117 105 4YZ 0.02530 -0.11208 -0.06573 -0.01766 -0.04087 106 8 C 1S -0.00450 0.01581 0.04673 -0.02144 0.03050 107 2S 0.04956 0.18834 0.42396 -0.12341 0.22848 108 2PX 0.12582 0.00425 0.03305 -0.03254 -0.04474 109 2PY 0.08378 -0.00826 -0.03971 0.00774 -0.04906 110 2PZ -0.01317 -0.01532 0.00539 -0.00646 0.01848 111 3S -0.08001 -1.22129 -2.83228 0.72132 -1.74447 112 3PX -0.39847 -0.00214 0.36552 -0.06921 0.05771 113 3PY 0.13854 -0.38779 -0.52737 0.34738 -0.55452 114 3PZ 0.29792 0.11054 0.82283 -0.17497 0.23994 115 4XX 0.08238 0.18410 0.09908 0.11596 0.17114 116 4YY -0.29286 0.20216 -0.25332 0.09715 0.08390 117 4ZZ 0.18718 -0.40562 0.11061 -0.21848 -0.26010 118 4XY 0.16077 -0.19781 0.22192 0.02076 -0.01430 119 4XZ 0.23545 -0.15919 0.22006 0.05226 -0.11148 120 4YZ -0.33093 0.08340 0.00620 -0.03121 0.16775 121 9 C 1S 0.00460 -0.04927 -0.01570 -0.00944 -0.05603 122 2S -0.11873 -0.31501 -0.25303 -0.04103 -0.54936 123 2PX -0.03829 -0.02846 -0.02197 0.03348 0.07262 124 2PY 0.04181 0.05080 0.07854 0.05434 0.01249 125 2PZ 0.05236 -0.06358 0.01438 -0.01390 -0.04949 126 3S 0.41595 2.10310 1.24421 0.35924 2.53177 127 3PX 0.30809 0.00157 -1.40263 0.28965 -0.41195 128 3PY -0.13324 -0.18811 -0.25353 0.16964 -0.29530 129 3PZ -0.14484 -0.22320 -0.13988 -0.53978 -0.07189 130 4XX 0.01895 -0.03993 0.02725 0.06729 0.16876 131 4YY -0.01457 -0.08608 0.13697 0.02154 0.01231 132 4ZZ 0.03749 0.11707 -0.12306 -0.10263 -0.15208 133 4XY -0.07663 -0.03154 0.09680 -0.15003 0.00827 134 4XZ 0.08624 -0.02209 0.10988 0.02688 0.04102 135 4YZ 0.22011 0.01045 0.02527 -0.04487 -0.02913 136 10 C 1S -0.01096 0.02567 0.06946 0.02012 0.01953 137 2S 0.00003 0.25343 0.71488 -0.01029 0.21915 138 2PX 0.00595 -0.03615 -0.03461 -0.00056 -0.01573 139 2PY -0.05006 -0.01465 -0.05591 -0.01168 0.04462 140 2PZ 0.01074 0.01803 0.04782 0.00719 -0.02106 141 3S 0.24236 -1.31060 -3.82799 -0.59225 -1.32713 142 3PX 0.74612 0.06246 0.47114 -0.07881 0.84872 143 3PY 0.37726 0.36978 -0.20407 0.07624 0.13100 144 3PZ -0.22161 -0.42860 -0.30312 -0.37252 -0.44884 145 4XX 0.04813 -0.03865 -0.05658 -0.07463 -0.09403 146 4YY -0.00467 -0.00327 0.02005 0.07794 0.02877 147 4ZZ -0.07360 0.04042 -0.02042 0.05283 0.04162 148 4XY 0.03757 0.00737 -0.06306 -0.01237 0.08259 149 4XZ 0.04601 -0.04952 0.02774 -0.07021 -0.09629 150 4YZ -0.03097 0.16809 0.03160 0.07524 0.01745 151 11 C 1S 0.02789 -0.00352 -0.05637 -0.00106 0.01358 152 2S 0.28735 0.04519 -0.55021 0.05544 0.15819 153 2PX 0.02021 -0.00346 0.00087 -0.00583 -0.00353 154 2PY 0.00180 -0.04322 -0.02785 -0.03890 0.00039 155 2PZ -0.01243 -0.01034 -0.01320 -0.03960 -0.00414 156 3S -1.13480 -0.08090 2.33176 -0.20757 -0.37864 157 3PX 0.05072 -0.03324 0.00677 -0.20763 -0.01116 158 3PY 0.48738 0.02612 -0.80605 0.11056 0.21941 159 3PZ -0.34284 0.13955 0.21539 0.14903 -0.42578 160 4XX 0.08969 0.04576 0.13318 -0.08405 0.04766 161 4YY -0.11415 0.01083 0.08398 0.09693 -0.08422 162 4ZZ 0.02052 -0.06631 -0.18144 -0.03363 0.03079 163 4XY -0.08220 0.00573 -0.01297 -0.05260 -0.24258 164 4XZ 0.13342 -0.04890 -0.10380 -0.05774 0.06710 165 4YZ -0.25711 -0.03856 -0.02261 -0.25314 -0.50253 166 12 H 1S -0.15402 0.02219 -0.04966 -0.12979 -0.36556 167 2S -0.08919 0.00182 0.00304 0.09377 0.02318 168 13 H 1S 0.24852 0.03423 -0.09627 0.15002 0.39078 169 2S -0.00878 -0.03916 -0.07525 -0.08484 -0.06014 170 14 C 1S -0.00227 -0.00497 0.03867 -0.01196 0.00473 171 2S 0.05240 -0.17603 0.21791 -0.04287 0.03643 172 2PX -0.05535 0.02675 0.07373 -0.02277 -0.05291 173 2PY 0.04426 0.00581 -0.03648 -0.02692 0.05363 174 2PZ -0.00234 -0.01097 -0.03439 -0.02572 -0.03345 175 3S -0.08074 0.45235 -1.30392 0.27456 -0.26231 176 3PX -0.08240 -0.04553 0.50056 -0.33543 0.15243 177 3PY 0.11764 -0.09895 0.16340 -0.14930 -0.00403 178 3PZ -0.00954 -0.01126 -0.40724 0.04785 -0.05301 179 4XX 0.18538 0.00419 0.02104 -0.19448 0.12180 180 4YY -0.13049 0.05177 0.13335 -0.11630 -0.04757 181 4ZZ -0.07058 -0.01612 -0.12920 0.29376 -0.07608 182 4XY 0.09110 0.02278 0.09728 -0.17180 0.07654 183 4XZ 0.02840 0.06699 0.15195 0.22215 0.03298 184 4YZ -0.01068 -0.01048 0.05082 0.34847 0.06442 185 15 H 1S -0.05210 -0.03865 -0.03750 0.30152 -0.03381 186 2S 0.01148 0.01498 -0.03909 0.01360 0.00444 187 16 H 1S 0.03054 -0.05319 0.08434 -0.37084 0.00536 188 2S 0.02374 -0.10733 0.00591 0.09035 -0.00296 189 17 C 1S -0.02861 0.00257 -0.00007 0.00216 -0.03090 190 2S -0.22282 0.03087 0.06566 0.10016 -0.08595 191 2PX -0.01928 -0.02021 -0.01849 -0.02362 -0.04969 192 2PY -0.03038 -0.03162 0.07770 -0.05583 -0.02684 193 2PZ 0.02852 -0.00046 -0.04332 0.03352 0.01611 194 3S 1.14821 -0.03164 0.03392 -0.18520 0.79913 195 3PX -0.46027 0.02193 0.00344 0.07563 -0.55891 196 3PY -0.12054 -0.11849 0.02062 0.02548 -0.00975 197 3PZ 0.05994 0.08877 -0.19472 -0.24734 0.18320 198 4XX 0.03265 0.11586 0.05080 0.13730 -0.03102 199 4YY -0.10439 0.00003 0.05079 -0.14294 -0.01008 200 4ZZ 0.08040 -0.12043 -0.11406 -0.01601 -0.00710 201 4XY 0.06262 -0.04975 -0.12078 -0.04783 0.17983 202 4XZ 0.05228 -0.08317 0.14330 -0.11730 0.19481 203 4YZ 0.02278 -0.07512 0.02537 -0.05177 -0.00279 204 18 C 1S 0.01977 0.02093 -0.02890 0.01485 0.03679 205 2S 0.14527 0.22133 -0.32565 0.02917 0.35443 206 2PX 0.07574 0.01452 0.04629 0.04494 0.00230 207 2PY 0.02759 -0.02930 0.02156 -0.02346 -0.02557 208 2PZ 0.00150 -0.02609 -0.02112 -0.01392 0.00304 209 3S -1.05002 -1.02429 1.03314 -0.30296 -1.57580 210 3PX -0.16331 0.25061 -0.32124 0.39185 0.26876 211 3PY -0.58773 -0.16731 0.35991 -0.15752 -0.49841 212 3PZ 0.31987 -0.26961 0.04782 0.31236 0.04336 213 4XX 0.11624 -0.14775 -0.02311 0.03744 -0.04733 214 4YY -0.11918 -0.00322 0.12811 -0.07752 -0.02356 215 4ZZ 0.00130 0.12863 -0.07422 0.07320 0.04709 216 4XY -0.21331 0.18027 0.05696 -0.12437 -0.04285 217 4XZ 0.02987 -0.01444 -0.08929 0.13775 0.20196 218 4YZ -0.22789 0.27221 0.32925 -0.36718 -0.00832 219 19 H 1S 0.23721 -0.16978 -0.27233 0.26773 0.06442 220 2S -0.04714 0.06953 0.07773 -0.02556 0.06715 221 20 H 1S -0.16870 0.23140 0.15213 -0.30415 -0.01759 222 2S -0.02845 0.04279 -0.03346 -0.03725 0.01820 223 21 H 1S -0.14937 0.12416 0.03229 0.13202 -0.19245 224 2S 0.01065 -0.03424 0.08377 0.05818 0.06808 225 22 H 1S -0.01025 -0.06622 -0.02422 -0.09797 0.16438 226 2S 0.03169 -0.02013 -0.04078 -0.01366 0.04534 227 23 H 1S 0.04265 -0.00635 0.27572 -0.05798 0.03885 228 2S 0.02036 0.06917 0.05106 -0.09737 -0.02464 229 24 H 1S -0.13009 -0.15652 -0.01545 0.08190 -0.10884 230 2S 0.01393 0.00624 0.18698 0.03109 -0.07143 231 25 H 1S 0.41266 -0.14210 0.38844 -0.05015 -0.03165 232 2S -0.03340 0.12119 -0.02129 0.07431 0.02603 233 26 H 1S -0.19949 0.35153 -0.01869 0.08843 0.27118 234 2S 0.02628 -0.04393 -0.05972 0.01005 -0.05243 235 27 H 1S 0.27644 -0.07298 0.08029 -0.00134 -0.10621 236 2S 0.13050 0.13877 0.41209 -0.08175 0.18074 237 28 Br 1S -0.00346 -0.00083 -0.00283 -0.00058 -0.00028 238 2S 0.01419 0.00361 0.00995 0.00430 0.00159 239 3S 0.00382 0.00116 0.00847 -0.00603 -0.00038 240 4S -0.08667 -0.02483 -0.07259 -0.01011 -0.01013 241 5S -0.30439 -0.11330 -0.22994 0.02970 -0.19833 242 6S 0.92334 0.24225 0.73266 -0.00192 0.44897 243 7PX -0.00347 -0.00091 -0.00479 0.00067 -0.00162 244 7PY -0.00549 -0.00184 -0.00208 0.00124 -0.00068 245 7PZ -0.00796 -0.00494 -0.00953 0.00107 -0.00136 246 8PX 0.01163 0.00288 0.01607 -0.00236 0.00545 247 8PY 0.01826 0.00629 0.00700 -0.00418 0.00250 248 8PZ 0.02652 0.01682 0.03145 -0.00379 0.00491 249 9PX -0.05417 -0.00024 -0.07234 0.01522 -0.02545 250 9PY -0.07822 -0.03735 -0.03631 0.01594 -0.02656 251 9PZ -0.11452 -0.08374 -0.12064 0.02517 -0.03903 252 10PX 0.03767 -0.11790 0.02321 -0.00570 -0.00524 253 10PY 0.07081 0.08186 0.08208 0.02670 0.11409 254 10PZ 0.05297 -0.02863 0.02748 -0.01753 0.06979 255 11XX -0.00490 0.00400 -0.00656 0.00283 0.00426 256 11YY -0.00518 -0.00443 -0.01301 0.00014 -0.00229 257 11ZZ 0.00021 -0.00058 0.00301 0.00498 -0.00030 258 11XY -0.00109 0.00362 -0.00584 0.00053 -0.00282 259 11XZ -0.00176 0.01138 0.00059 0.00191 0.00140 260 11YZ 0.00161 -0.00680 -0.00087 -0.00062 -0.00602 261 12XX -0.30476 -0.13382 -0.27034 -0.00195 -0.13113 262 12YY -0.29630 -0.05339 -0.18440 0.02433 -0.06332 263 12ZZ -0.36417 -0.15735 -0.34641 -0.00929 -0.10815 264 12XY -0.00016 -0.02771 0.03950 0.00223 0.01336 265 12XZ -0.01261 -0.09877 -0.04716 -0.00102 -0.02813 266 12YZ -0.03008 0.03347 -0.00566 0.01892 0.04041 267 29 C 1S 0.00221 -0.00144 -0.00112 -0.00097 -0.00921 268 2S -0.03506 -0.06543 -0.21793 -0.10380 -0.13807 269 2PX -0.01399 0.00713 0.03931 0.01687 -0.01868 270 2PY -0.00259 -0.00353 0.07770 0.01719 0.03191 271 2PZ -0.00234 0.05225 0.09540 0.05458 0.00277 272 3S 0.09394 0.15475 0.14575 0.05594 0.49478 273 3PX 0.11014 -0.02402 -0.20106 0.11337 0.04361 274 3PY 0.08006 0.02709 0.10850 -0.07826 -0.11162 275 3PZ 0.02576 -0.10820 0.05746 0.05304 -0.17386 276 4XX -0.06459 -0.04980 0.22094 -0.13613 0.11477 277 4YY 0.03622 -0.09884 -0.07327 -0.09898 0.25310 278 4ZZ 0.05709 0.15291 -0.10772 0.25400 -0.35854 279 4XY 0.10999 -0.18763 -0.10876 -0.05572 0.27987 280 4XZ 0.01996 0.08931 -0.09031 0.16741 -0.11522 281 4YZ -0.17239 -0.15031 -0.10671 -0.28558 0.14029 282 30 H 1S 0.14524 -0.02702 -0.19620 0.13596 -0.00101 283 2S -0.09727 0.00316 -0.03865 -0.00892 0.00389 284 31 H 1S -0.08154 -0.17457 0.04818 -0.30243 0.20432 285 2S -0.01227 0.13725 -0.07831 0.08537 -0.11496 286 32 H 1S -0.11168 0.12663 -0.01410 0.08431 -0.29770 287 2S -0.02893 -0.07900 0.06028 -0.04886 0.10813 288 33 H 1S 0.10886 0.12548 -0.02920 0.05653 0.03443 289 2S 0.01577 0.06349 0.13097 0.09193 0.04152 290 34 H 1S -0.13503 -0.03955 0.19961 0.07395 0.07409 291 2S 0.03414 -0.14508 -0.08361 -0.07314 0.03999 292 35 H 1S 0.03242 0.24925 -0.08088 -0.13204 -0.04031 293 2S 0.04960 -0.02901 -0.01174 0.04626 -0.07235 294 36 H 1S -0.18170 -0.38181 0.01480 0.04277 0.08025 295 2S 0.05542 0.06034 0.04684 -0.02268 0.04698 296 37 H 1S 0.04511 -0.02312 -0.06309 0.18163 0.16238 297 2S -0.01933 -0.05786 -0.10578 -0.06968 -0.12969 298 38 H 1S -0.03423 0.03264 -0.07714 -0.15696 -0.06821 299 2S -0.05537 0.00466 0.01480 0.09711 0.01320 300 39 H 1S -0.06874 -0.11475 0.34914 0.08764 -0.07568 301 2S 0.00513 0.06574 -0.03113 -0.09817 0.01388 302 40 H 1S 0.16035 0.29814 -0.23385 -0.06748 -0.07408 303 2S -0.09650 -0.14487 0.01679 -0.00215 -0.01902 261 262 263 264 265 V V V V V Eigenvalues -- 2.24989 2.26239 2.26904 2.27553 2.28947 1 1 C 1S 0.01576 0.04427 0.00705 0.01644 -0.02099 2 2S -0.05651 0.36198 -0.01454 0.27098 -0.03866 3 2PX -0.00128 -0.03755 0.02434 0.03154 -0.06618 4 2PY -0.03410 0.00725 -0.04121 0.01607 0.01061 5 2PZ 0.04213 0.02303 0.03290 -0.01070 -0.05987 6 3S -0.25810 -2.20415 -0.41243 -0.83493 -0.19712 7 3PX 0.14774 -0.64334 0.38530 -0.10795 -0.28700 8 3PY 0.31815 0.33271 0.36474 -0.19349 0.80471 9 3PZ 0.34799 0.33672 0.15430 0.36215 -0.29379 10 4XX -0.00319 -0.15757 0.17644 0.14674 -0.32345 11 4YY -0.08511 -0.19640 -0.16610 -0.04552 -0.02206 12 4ZZ 0.14335 0.34571 0.01468 -0.14663 0.32572 13 4XY -0.13833 0.06150 0.04489 0.12727 -0.06223 14 4XZ 0.05015 -0.00400 -0.06065 0.10375 -0.06716 15 4YZ 0.43395 0.27185 0.14969 0.06322 -0.06672 16 2 C 1S -0.03530 -0.02366 -0.04097 -0.03333 0.03092 17 2S -0.01579 -0.19198 -0.31194 -0.14794 0.21664 18 2PX 0.07105 0.00616 -0.00210 0.03687 -0.01425 19 2PY 0.08504 -0.02272 0.05619 0.00615 0.04207 20 2PZ 0.07187 0.04262 0.01900 0.02659 -0.04104 21 3S 0.71444 0.75107 1.21936 1.01761 -1.08861 22 3PX 0.39352 0.63271 0.61955 0.42214 -0.43568 23 3PY -0.11775 -0.34328 -0.07551 0.02553 -0.13534 24 3PZ -0.01230 -0.17355 0.03236 0.15316 -0.36188 25 4XX 0.28869 -0.34016 0.15620 0.05115 -0.09563 26 4YY -0.10602 0.05034 -0.09130 0.03370 0.01432 27 4ZZ -0.26881 0.29437 -0.06204 -0.11408 0.06997 28 4XY 0.11074 0.31517 0.14875 0.05099 0.08727 29 4XZ 0.13568 0.34694 0.02572 0.14423 -0.29697 30 4YZ -0.25249 0.24976 -0.19766 0.05397 0.05875 31 3 C 1S 0.03136 0.00952 0.02268 0.00855 0.01628 32 2S -0.01497 0.04482 0.02509 0.08922 -0.04368 33 2PX 0.00098 0.07602 0.04160 0.04371 -0.08189 34 2PY 0.10202 0.02239 0.05476 0.02787 0.02478 35 2PZ 0.02744 -0.01767 -0.04024 0.00778 -0.00127 36 3S -0.59806 -0.31463 -0.64755 -0.34712 -0.27387 37 3PX -0.16632 -0.11972 0.03655 0.05573 -0.56668 38 3PY 0.33987 0.06655 0.38660 0.16534 -0.05364 39 3PZ 0.03840 0.18279 -0.13039 -0.13774 0.06864 40 4XX -0.08531 0.12669 0.27121 -0.05867 -0.16076 41 4YY -0.08623 0.07061 -0.29125 0.01130 -0.02419 42 4ZZ 0.25150 -0.19002 0.05055 0.03748 0.22722 43 4XY 0.05453 -0.01385 -0.08040 -0.06944 0.12694 44 4XZ -0.06023 0.07473 0.14572 0.19060 0.03401 45 4YZ 0.48429 0.25106 -0.15014 0.13802 -0.26235 46 4 C 1S -0.00509 0.02829 0.01426 0.01235 -0.04812 47 2S -0.02054 0.07106 -0.02727 0.34369 -0.25629 48 2PX -0.07862 -0.00243 0.02700 -0.05978 -0.03126 49 2PY 0.03402 0.01247 0.00774 -0.01061 0.00024 50 2PZ -0.02095 -0.04796 -0.04978 0.02314 0.05168 51 3S -0.06534 -0.64168 -0.27281 -0.85825 1.87625 52 3PX -0.18987 -0.02631 -0.15590 0.03972 -0.24002 53 3PY 0.28810 0.62928 0.28269 0.44042 0.10594 54 3PZ -0.01060 -0.26495 -0.14877 -0.26578 0.69952 55 4XX 0.20090 0.13394 0.19079 0.07521 0.19733 56 4YY -0.01248 0.01296 -0.18380 0.02418 -0.26210 57 4ZZ -0.20041 -0.10646 0.00740 -0.18431 0.01955 58 4XY 0.08846 0.04637 0.14638 0.00399 0.10277 59 4XZ -0.19417 0.14640 0.13386 0.07591 -0.05250 60 4YZ -0.11030 -0.02328 0.14074 -0.04681 -0.09383 61 5 C 1S -0.06938 -0.03835 -0.04308 0.00757 -0.06230 62 2S -0.44685 -0.77507 -0.37785 -0.29442 -0.45086 63 2PX 0.05717 0.06270 -0.00695 0.09947 -0.08054 64 2PY 0.00649 0.02082 0.04814 0.03215 0.10444 65 2PZ 0.03673 0.00478 -0.00527 -0.04371 -0.00341 66 3S 2.75274 3.19976 2.28278 0.50693 2.99581 67 3PX -0.03992 -0.76044 -0.57684 -0.85276 1.07661 68 3PY -0.09192 -0.89765 -0.64567 0.09552 -2.37735 69 3PZ 0.15227 -0.05283 -0.20597 -0.22069 0.81860 70 4XX 0.00349 0.05682 0.26700 0.07787 -0.09077 71 4YY -0.08434 0.04068 -0.17981 -0.11187 -0.03241 72 4ZZ 0.08781 0.05410 -0.06866 0.12320 0.13014 73 4XY -0.04616 -0.04224 0.07918 -0.08626 0.04774 74 4XZ -0.03897 0.06421 0.31563 -0.10381 -0.17681 75 4YZ 0.08112 -0.04811 0.07716 -0.03041 0.05467 76 6 C 1S 0.00615 -0.00153 -0.00593 -0.02006 0.02351 77 2S 0.08078 0.14808 0.14029 -0.14509 0.58737 78 2PX -0.02915 0.01646 0.10643 0.00827 0.03432 79 2PY 0.07447 -0.04719 0.02583 -0.03361 -0.11279 80 2PZ -0.04377 -0.00024 -0.01083 0.03075 0.00680 81 3S -0.72053 -0.64258 -0.08848 0.47047 -2.66942 82 3PX -0.22397 -1.90475 -0.11274 0.04026 -2.27033 83 3PY -0.60635 -0.62508 -1.93254 -0.40548 -0.03572 84 3PZ 0.26695 0.69059 0.69220 0.05757 0.45868 85 4XX 0.06373 0.11994 -0.07047 0.09879 -0.20416 86 4YY -0.09420 -0.04319 0.22051 -0.07146 0.02010 87 4ZZ -0.00960 -0.08365 -0.21052 -0.02880 0.09556 88 4XY -0.13007 -0.03642 -0.06339 0.08335 -0.14088 89 4XZ 0.00932 -0.13850 0.10379 0.07764 -0.17311 90 4YZ -0.06160 -0.03251 0.15468 -0.32201 -0.08645 91 7 C 1S 0.01325 -0.01907 0.04178 -0.00189 -0.01786 92 2S -0.12561 -0.07735 0.28028 -0.08532 -0.31210 93 2PX -0.04699 0.10877 0.02602 0.05336 0.01048 94 2PY -0.01171 0.00172 -0.04344 -0.06743 0.01232 95 2PZ 0.01916 0.04172 0.01383 0.01847 0.04625 96 3S -0.34728 0.68828 -1.94675 0.00643 1.87896 97 3PX 0.06417 0.89470 0.38995 0.37912 0.71325 98 3PY 0.05503 0.18222 -0.84279 -0.17275 0.64947 99 3PZ -0.15440 -0.16330 0.23838 0.08016 -0.33560 100 4XX -0.05512 0.21427 -0.04462 0.07981 0.05239 101 4YY 0.02592 -0.07993 -0.03976 -0.19809 0.00106 102 4ZZ 0.09023 -0.11932 0.10421 0.14211 0.01746 103 4XY -0.14396 0.18932 0.03763 0.13347 0.35473 104 4XZ 0.10476 0.05093 -0.01029 0.05978 -0.08032 105 4YZ 0.02859 -0.03194 0.28654 -0.11192 -0.10354 106 8 C 1S -0.00157 0.02289 -0.01367 0.01959 0.03332 107 2S 0.02440 0.05522 -0.12404 0.13746 0.24048 108 2PX 0.02825 0.08634 -0.04124 -0.03098 -0.06589 109 2PY 0.02609 -0.03532 -0.00919 -0.04232 -0.06971 110 2PZ -0.01872 0.01984 0.01495 0.00589 0.02058 111 3S -0.15502 -0.97123 0.64247 -0.94283 -1.84050 112 3PX -0.31886 0.39199 0.09317 0.09401 0.21099 113 3PY -0.09917 -0.13729 0.42182 -0.20983 -0.45908 114 3PZ 0.07310 0.31211 0.00310 0.06328 0.50444 115 4XX 0.09052 -0.19807 -0.04139 -0.08221 -0.01844 116 4YY -0.06937 0.05445 -0.16819 0.23072 0.03433 117 4ZZ -0.03254 0.15805 0.21054 -0.16119 -0.02387 118 4XY -0.11142 0.21086 -0.00389 -0.03512 0.08342 119 4XZ 0.09144 -0.05093 0.06102 0.05489 0.07619 120 4YZ -0.04450 0.05037 -0.19785 0.17519 0.21339 121 9 C 1S 0.01486 0.00037 0.00445 -0.04534 -0.01543 122 2S 0.17215 -0.07182 -0.02628 -0.45344 -0.12060 123 2PX -0.00251 0.01326 -0.05817 0.02228 -0.09467 124 2PY -0.02175 0.04046 0.01986 -0.02767 0.11441 125 2PZ 0.00295 0.01282 0.03261 0.03474 0.00451 126 3S -0.50629 0.32008 -0.23828 1.82734 1.46816 127 3PX -0.22140 -0.23614 -0.06210 0.26180 -0.40221 128 3PY -0.38268 -0.03276 0.59238 -0.35490 -0.75879 129 3PZ 0.40384 -0.10906 -0.36596 -0.24428 -0.35445 130 4XX 0.04218 0.11052 -0.18340 0.02266 0.09663 131 4YY -0.04502 0.02677 0.11932 0.05260 0.12089 132 4ZZ 0.01618 -0.15317 0.07077 -0.04990 -0.19321 133 4XY 0.03286 0.03684 -0.02108 0.11574 0.11340 134 4XZ 0.06195 0.02901 -0.01015 -0.04765 0.03502 135 4YZ 0.11413 -0.00655 -0.18590 0.17063 -0.14679 136 10 C 1S -0.00199 0.00094 0.04916 -0.01824 0.04476 137 2S -0.05133 0.04037 0.32792 -0.02443 0.25737 138 2PX -0.04667 0.01413 0.01054 0.04280 0.02867 139 2PY -0.04862 -0.01589 0.02568 -0.03171 -0.04249 140 2PZ 0.03005 0.01747 -0.02978 0.03041 0.01242 141 3S -0.02584 -0.58417 -1.92459 0.75082 -2.49453 142 3PX 1.04103 0.31211 -0.29213 0.25674 0.74573 143 3PY -0.22959 -0.04313 -0.30355 0.62587 -0.00181 144 3PZ -0.06121 -0.19767 -0.16127 -0.01867 -0.73026 145 4XX 0.05780 -0.02918 -0.07539 0.10386 -0.07096 146 4YY -0.08345 0.04595 0.06609 -0.13395 0.12939 147 4ZZ 0.03164 -0.06273 0.01821 -0.03294 -0.03307 148 4XY 0.15732 -0.09928 -0.04899 0.06198 0.10747 149 4XZ 0.24639 -0.01406 -0.06278 -0.21125 0.07981 150 4YZ 0.02449 -0.04079 -0.04272 -0.24155 0.05802 151 11 C 1S 0.00063 -0.01407 -0.02127 0.04811 -0.02153 152 2S -0.10940 0.01876 -0.15271 0.24166 -0.32198 153 2PX 0.04937 0.05348 -0.00239 0.01356 0.04096 154 2PY 0.03684 -0.04349 -0.01226 0.06561 0.01086 155 2PZ -0.00643 -0.03357 0.00627 0.01564 -0.03910 156 3S 0.18611 0.17769 0.74382 -1.76052 0.97870 157 3PX 0.13982 -0.20848 -0.54223 -0.36795 -0.00937 158 3PY -0.03632 -0.00422 -0.27087 0.78365 -0.17422 159 3PZ -0.02062 -0.01331 0.20351 -0.13039 0.30145 160 4XX 0.21382 0.06093 -0.00622 -0.01105 0.03407 161 4YY -0.08392 -0.03234 -0.04547 -0.25347 -0.00284 162 4ZZ -0.09596 -0.06981 0.04132 0.29767 0.01744 163 4XY 0.06022 -0.12119 0.09522 0.09340 0.07150 164 4XZ 0.04567 -0.03492 -0.04695 0.10242 -0.06568 165 4YZ 0.21484 -0.25198 -0.15569 -0.19254 0.06633 166 12 H 1S 0.12384 -0.16481 -0.11481 -0.12320 0.00846 167 2S -0.03779 0.02099 0.06859 -0.01000 0.03937 168 13 H 1S -0.08639 0.16707 -0.00661 0.11647 -0.13039 169 2S 0.01143 -0.05589 -0.04227 -0.02197 -0.13770 170 14 C 1S 0.03910 0.01300 -0.02211 -0.05398 0.02062 171 2S 0.23833 0.04464 -0.08434 -0.24689 0.18724 172 2PX -0.02627 -0.00875 0.03406 -0.04541 0.00225 173 2PY 0.02771 -0.00298 -0.03360 0.04214 0.01274 174 2PZ -0.03358 -0.05494 0.04823 0.09073 -0.00386 175 3S -1.25221 -0.33283 0.80275 1.72652 -0.83261 176 3PX 0.24528 0.06226 0.11716 -0.38543 0.13868 177 3PY 0.41667 0.23820 0.09039 -0.20993 0.05685 178 3PZ -0.43738 -0.14022 0.42846 0.62214 -0.28356 179 4XX 0.18206 0.03026 0.04812 0.21282 -0.02703 180 4YY 0.00549 0.03527 0.06482 -0.21945 -0.08379 181 4ZZ -0.16990 -0.04555 -0.13017 -0.04225 0.10296 182 4XY 0.08352 0.13901 0.11958 -0.03961 0.04209 183 4XZ -0.00999 0.12220 -0.12803 -0.21801 0.03171 184 4YZ 0.00685 0.17540 -0.34163 -0.35756 0.03214 185 15 H 1S -0.06530 -0.04252 -0.25544 -0.13075 0.05763 186 2S -0.06966 -0.04473 0.01103 0.09103 0.00885 187 16 H 1S 0.19185 -0.07816 0.21098 0.13622 0.01340 188 2S -0.01557 0.05857 0.02575 -0.05723 0.01331 189 17 C 1S -0.03549 -0.02459 0.03356 0.01357 -0.00428 190 2S -0.32996 -0.02788 0.23601 -0.01181 -0.09354 191 2PX -0.02261 -0.04189 0.03891 0.05094 0.00611 192 2PY 0.02520 -0.00090 0.04408 -0.05258 0.04393 193 2PZ -0.03173 -0.03728 0.03491 0.08843 0.00334 194 3S 1.52912 0.63538 -1.12521 -0.43653 0.33272 195 3PX -0.62532 -0.28908 0.52366 0.09146 -0.20399 196 3PY 0.05230 -0.12021 -0.28855 -0.11843 0.26034 197 3PZ -0.09384 -0.18831 -0.05493 0.37966 -0.02199 198 4XX 0.07126 0.24758 -0.14764 -0.18868 -0.15387 199 4YY 0.04095 -0.15341 0.04266 -0.02649 -0.04850 200 4ZZ -0.08528 -0.13818 0.11311 0.24376 0.22422 201 4XY 0.04545 -0.16879 -0.07305 0.18455 0.17513 202 4XZ 0.22352 -0.11961 -0.10956 0.02903 0.29156 203 4YZ -0.07994 -0.14418 0.18467 0.30948 0.10926 204 18 C 1S 0.01078 0.00725 -0.03102 0.02566 0.00456 205 2S 0.07886 0.03662 -0.09294 0.41390 0.07846 206 2PX -0.04546 0.01199 0.03561 0.05878 0.00909 207 2PY -0.01096 -0.00197 0.06013 0.06039 0.02133 208 2PZ 0.01443 -0.01682 -0.02195 -0.02270 0.00514 209 3S -0.50508 -0.30680 0.82118 -1.37470 -0.51730 210 3PX -0.29331 -0.08490 -0.14634 0.48306 0.35954 211 3PY -0.22799 -0.21516 0.31731 -0.32418 0.04388 212 3PZ 0.05959 0.23202 0.13580 -0.05539 -0.03690 213 4XX -0.00172 0.12418 -0.00404 -0.07677 0.04641 214 4YY 0.01862 -0.17145 0.04103 0.03207 0.08413 215 4ZZ -0.01091 0.05401 -0.08463 -0.01211 -0.13331 216 4XY 0.01747 -0.09429 0.00302 0.03335 0.00109 217 4XZ 0.04103 0.04140 -0.16404 0.01515 -0.02548 218 4YZ 0.26997 -0.03910 -0.08467 -0.15645 0.01326 219 19 H 1S -0.12746 0.05408 0.03267 0.18143 0.06373 220 2S 0.02989 0.01338 0.04607 0.05033 0.05506 221 20 H 1S 0.12663 -0.05534 -0.02252 -0.00092 0.05890 222 2S 0.01976 -0.07748 -0.01264 -0.03216 -0.00587 223 21 H 1S -0.10685 0.16311 0.02516 -0.28033 -0.27303 224 2S -0.01357 0.03759 0.11630 0.02941 0.07040 225 22 H 1S 0.03756 -0.18795 -0.05528 0.11892 0.21334 226 2S 0.02362 0.04771 -0.08999 0.00799 -0.03361 227 23 H 1S -0.06364 0.03271 0.08275 0.19132 0.05921 228 2S 0.06210 -0.04317 0.02101 -0.00779 -0.05313 229 24 H 1S 0.00266 0.04068 0.05351 -0.20750 0.18420 230 2S 0.04656 0.02323 -0.03996 0.02807 0.10839 231 25 H 1S 0.05863 0.06539 0.16236 -0.14005 0.01909 232 2S -0.04662 -0.02138 -0.02761 0.08957 0.08536 233 26 H 1S 0.00416 -0.06390 -0.21814 0.18020 0.08201 234 2S -0.01122 -0.05547 0.05914 -0.02315 -0.10017 235 27 H 1S 0.14726 -0.01829 0.16995 -0.04223 -0.19903 236 2S 0.00516 0.23416 -0.04820 0.01116 0.27444 237 28 Br 1S -0.00006 0.00054 -0.00067 -0.00047 0.00038 238 2S -0.00451 -0.00252 0.00403 -0.00154 -0.00320 239 3S 0.01580 0.00181 -0.00514 0.01249 0.00577 240 4S -0.00823 0.00700 -0.00782 -0.01861 0.00385 241 5S -0.21197 -0.15235 0.13669 -0.12637 -0.22432 242 6S 0.48637 0.29184 -0.22051 0.34621 0.45895 243 7PX 0.00000 -0.00092 0.00185 -0.00100 -0.00128 244 7PY -0.00246 0.00140 0.00137 -0.00409 0.00149 245 7PZ -0.00396 -0.00134 0.00153 -0.00383 -0.00182 246 8PX -0.00010 0.00321 -0.00629 0.00333 0.00444 247 8PY 0.00845 -0.00438 -0.00473 0.01369 -0.00457 248 8PZ 0.01322 0.00477 -0.00565 0.01274 0.00634 249 9PX 0.00542 -0.02095 0.03206 -0.01274 -0.02932 250 9PY -0.05258 0.00233 0.02954 -0.06058 -0.00944 251 9PZ -0.06142 -0.03697 0.04607 -0.05076 -0.04248 252 10PX -0.02744 0.03735 -0.00696 0.00307 0.04208 253 10PY 0.11506 0.06837 -0.08163 0.05214 0.17799 254 10PZ 0.07750 0.08890 -0.03645 0.04692 0.06473 255 11XX -0.00520 0.00328 -0.00373 -0.00606 0.00194 256 11YY -0.01412 -0.00201 0.00250 -0.00667 -0.01245 257 11ZZ -0.00507 -0.00068 0.00539 -0.00623 0.00347 258 11XY 0.00117 -0.00507 -0.00010 -0.00132 -0.00535 259 11XZ 0.00336 -0.00153 0.00128 0.00207 -0.00215 260 11YZ -0.00498 -0.00643 0.00633 -0.00301 -0.01042 261 12XX -0.13587 -0.07435 0.07415 -0.10213 -0.12610 262 12YY -0.07686 -0.01509 0.02461 -0.11734 0.01960 263 12ZZ -0.14672 -0.04432 0.05120 -0.11106 -0.14047 264 12XY -0.00782 0.04073 0.00968 0.00636 0.04439 265 12XZ -0.02223 0.00143 0.01370 -0.02026 -0.00232 266 12YZ 0.02268 0.04060 -0.03881 0.00077 0.08130 267 29 C 1S 0.02440 0.00429 -0.00932 0.00055 0.00848 268 2S 0.08339 -0.09005 -0.12864 -0.15072 -0.08987 269 2PX 0.01080 0.01509 0.02691 0.01547 -0.00285 270 2PY 0.06407 0.04086 0.01742 0.01511 0.07736 271 2PZ 0.06166 0.04674 0.01916 0.04328 0.06008 272 3S -0.81054 -0.09922 0.28591 0.16339 -0.14209 273 3PX 0.09141 0.17979 0.14531 0.00518 0.02150 274 3PY 0.20333 0.04603 0.03326 -0.14294 0.20617 275 3PZ 0.38356 -0.03727 -0.11733 -0.10158 -0.02365 276 4XX 0.12935 -0.07200 -0.00081 -0.04932 -0.04968 277 4YY 0.04095 0.00048 0.01875 -0.03621 -0.16843 278 4ZZ -0.11998 0.10958 -0.01982 0.14890 0.26710 279 4XY 0.02827 0.04486 0.39004 -0.26494 0.12735 280 4XZ -0.08808 -0.06350 0.09227 -0.06699 0.14350 281 4YZ -0.20849 -0.05183 -0.11561 0.08412 -0.38114 282 30 H 1S 0.03727 0.07757 0.19217 -0.13716 0.22302 283 2S 0.00187 0.02903 -0.02738 0.11154 -0.12983 284 31 H 1S 0.02034 -0.01519 0.00361 -0.06268 -0.26360 285 2S -0.03146 0.01655 -0.04144 0.04756 0.19852 286 32 H 1S -0.05382 -0.02560 -0.24441 0.16873 -0.04015 287 2S 0.07008 -0.01475 -0.00218 -0.07188 -0.01420 288 33 H 1S 0.17515 0.18838 0.01001 0.18753 0.03667 289 2S 0.06580 0.01253 0.00578 0.03646 0.05500 290 34 H 1S -0.12948 -0.04932 0.04421 -0.00907 -0.09475 291 2S -0.01553 -0.13993 -0.15270 -0.14989 -0.05412 292 35 H 1S -0.30222 -0.08364 0.20351 -0.05545 0.10396 293 2S 0.05581 -0.00352 -0.13659 0.04309 -0.03590 294 36 H 1S 0.16337 0.17494 -0.11012 -0.03044 -0.15121 295 2S -0.09370 -0.00703 -0.00517 -0.04056 0.01584 296 37 H 1S 0.17644 -0.42643 0.00304 -0.07671 0.00674 297 2S -0.15467 -0.00949 -0.11845 0.00640 -0.09114 298 38 H 1S -0.04680 0.37451 -0.02471 -0.01523 0.03997 299 2S 0.11192 0.05286 0.16162 0.03253 -0.07771 300 39 H 1S -0.31769 -0.14184 -0.08251 0.09301 -0.19761 301 2S -0.04905 0.10829 -0.02456 -0.06983 0.05436 302 40 H 1S 0.25578 0.26463 0.11089 -0.01984 0.14761 303 2S 0.03302 0.08096 0.25121 0.00668 0.16218 266 267 268 269 270 V V V V V Eigenvalues -- 2.29510 2.31624 2.32483 2.35224 2.36909 1 1 C 1S -0.05465 0.02472 0.00172 0.00428 0.01370 2 2S -0.28735 0.22740 0.15322 -0.04274 0.01753 3 2PX 0.05894 -0.02194 0.04543 -0.04038 -0.00812 4 2PY -0.00656 -0.01070 -0.00118 0.00444 0.00073 5 2PZ -0.05388 0.02575 -0.01573 0.00145 0.02357 6 3S 2.13478 -1.29516 -0.19846 -0.45793 -0.16094 7 3PX 0.81225 -0.13868 0.35666 -0.37228 0.05876 8 3PY -0.09308 0.01035 -0.09065 0.15549 -0.28167 9 3PZ -0.37941 0.34777 0.17534 -0.03598 0.25502 10 4XX 0.15914 -0.18907 0.10286 -0.10557 0.08269 11 4YY -0.05708 0.13155 -0.07192 0.07475 0.03663 12 4ZZ -0.13365 0.02798 -0.07723 0.05469 -0.10898 13 4XY 0.03006 0.19356 0.18410 -0.06090 -0.06351 14 4XZ -0.04764 -0.06388 -0.04634 -0.02275 0.06997 15 4YZ -0.19956 0.12300 -0.01284 -0.03851 0.09968 16 2 C 1S 0.00627 -0.03467 -0.03672 0.00722 0.00717 17 2S 0.05106 -0.14245 -0.23607 0.00040 -0.00328 18 2PX -0.00121 0.03467 0.01888 -0.00642 -0.02549 19 2PY 0.04812 -0.00052 0.02942 0.01063 -0.07439 20 2PZ -0.07122 0.05338 -0.00852 0.01418 0.04012 21 3S -0.15202 1.02049 1.21227 -0.12101 -0.20068 22 3PX -0.24042 0.31513 0.43969 0.00701 -0.13607 23 3PY 0.38478 -0.10621 0.07867 -0.02483 -0.20504 24 3PZ 0.06967 0.23547 0.29359 -0.29503 0.18090 25 4XX 0.22009 0.11290 0.13389 -0.09133 -0.02107 26 4YY -0.09247 -0.12123 -0.07956 0.08895 0.01256 27 4ZZ -0.12679 -0.03973 -0.06408 0.01569 0.03420 28 4XY -0.01659 -0.00950 0.06968 0.05807 -0.19168 29 4XZ -0.27292 -0.06928 -0.03196 -0.01447 0.15207 30 4YZ -0.01895 -0.20860 -0.05036 -0.02209 -0.00268 31 3 C 1S 0.02139 0.01062 0.02100 0.01464 -0.04098 32 2S 0.20688 0.13135 0.22958 0.00135 -0.26974 33 2PX -0.06193 0.06305 0.05727 -0.03120 0.00172 34 2PY -0.00955 0.03031 0.02554 0.03325 -0.04223 35 2PZ 0.02943 0.01716 0.02096 -0.01404 -0.02456 36 3S -0.78058 -0.41839 -0.74041 -0.51598 1.29904 37 3PX -0.16066 -0.12745 -0.07247 -0.20156 0.40236 38 3PY 0.32428 0.10487 0.30981 0.06637 -0.46554 39 3PZ -0.35960 -0.35718 -0.54970 0.36913 0.24608 40 4XX -0.02078 0.10267 0.12299 -0.19379 0.09447 41 4YY -0.17964 -0.22773 -0.23394 0.13052 0.14877 42 4ZZ 0.17686 0.10699 0.08316 0.09404 -0.24770 43 4XY 0.07261 -0.01662 -0.04134 0.05222 -0.06289 44 4XZ 0.12040 0.06627 0.18735 -0.11640 0.02388 45 4YZ -0.23684 -0.20135 -0.17935 0.18069 -0.01593 46 4 C 1S -0.04151 0.00803 -0.00306 0.00849 0.02308 47 2S -0.20210 -0.02022 -0.06480 0.11036 0.21941 48 2PX -0.00773 -0.02439 -0.03396 -0.02504 0.04009 49 2PY 0.00968 0.02272 0.02623 0.00438 -0.04413 50 2PZ 0.03842 -0.04174 -0.03685 0.00284 0.03858 51 3S 1.28905 -0.19415 0.08745 -0.34274 -0.98501 52 3PX -0.14158 0.11910 0.26220 -0.71695 0.34770 53 3PY -0.45177 0.37968 0.11216 0.43329 -0.04388 54 3PZ 0.34571 0.04569 0.06716 -0.11627 -0.27197 55 4XX 0.10721 0.14868 0.16769 0.02996 -0.17105 56 4YY -0.09594 0.17657 0.13553 -0.19310 0.00157 57 4ZZ -0.06371 -0.28936 -0.29386 0.17765 0.15496 58 4XY 0.02609 0.25284 0.15091 -0.02459 -0.16045 59 4XZ -0.00448 0.02037 0.11974 -0.19011 0.21399 60 4YZ -0.07384 -0.19882 -0.16347 0.13464 0.07900 61 5 C 1S 0.03945 -0.05986 0.02430 -0.06904 0.01698 62 2S 0.44616 -0.43605 0.01652 -0.32127 0.15663 63 2PX 0.04823 0.04283 0.09115 -0.01916 0.01523 64 2PY 0.01523 -0.05937 -0.02494 -0.00536 -0.04196 65 2PZ -0.05564 0.05347 -0.01806 0.07459 0.05248 66 3S -2.09811 2.76826 -0.80113 2.88282 -0.27649 67 3PX -0.01464 -0.76006 -1.80911 0.56813 0.79099 68 3PY 0.41532 -0.66176 0.19865 -0.71035 0.09183 69 3PZ 0.35397 0.45578 0.29935 -0.47782 -0.52437 70 4XX 0.08737 -0.10448 0.03419 -0.11001 0.24007 71 4YY -0.23165 0.17694 0.04838 -0.03096 -0.05224 72 4ZZ 0.06501 -0.05640 -0.06412 0.11190 -0.20266 73 4XY 0.00701 -0.00139 0.02836 0.08538 -0.08664 74 4XZ -0.10472 -0.02785 0.05389 -0.03416 0.14445 75 4YZ 0.04460 0.08212 0.00946 0.03143 0.10375 76 6 C 1S 0.00764 0.01838 0.00063 0.01936 -0.03345 77 2S 0.15521 0.39212 0.00952 0.12808 -0.25299 78 2PX 0.02590 -0.10238 -0.03622 -0.00012 0.02420 79 2PY -0.03051 0.04957 0.07027 -0.02424 0.00136 80 2PZ -0.01201 -0.01317 -0.01460 -0.01066 0.06070 81 3S -0.41353 -1.72233 -0.02564 -1.32354 0.97513 82 3PX 1.65807 -1.30775 0.58362 -1.43669 0.41925 83 3PY -0.18138 -0.60286 -1.34000 0.35306 0.48867 84 3PZ -0.32230 0.47869 0.29945 0.32545 -0.32002 85 4XX -0.14197 0.07208 0.01174 0.00740 0.07549 86 4YY 0.01075 -0.24310 -0.02136 0.00994 0.15418 87 4ZZ 0.12248 0.08729 0.00324 0.00218 -0.23835 88 4XY 0.17531 -0.09215 0.12271 -0.07917 -0.07093 89 4XZ -0.01589 -0.00188 0.02002 -0.04349 0.10064 90 4YZ -0.10648 0.02458 0.00135 0.11690 -0.03066 91 7 C 1S -0.00953 -0.02169 0.00782 -0.02746 -0.00447 92 2S 0.16755 -0.23453 0.19782 -0.58970 -0.20624 93 2PX 0.06153 -0.03467 0.01994 -0.08781 0.07111 94 2PY -0.00990 0.04755 -0.00099 0.01185 -0.09258 95 2PZ -0.02023 0.01751 0.00387 0.07290 0.07526 96 3S -0.23183 1.21546 -1.23071 2.25833 0.77204 97 3PX -0.03477 1.03952 0.39453 1.06958 0.32783 98 3PY -0.27739 0.33568 -0.52100 0.71247 0.11789 99 3PZ 0.33807 -0.15036 0.14987 -0.62760 -0.09818 100 4XX 0.20257 0.14755 0.02455 0.17471 0.18819 101 4YY -0.17600 -0.02016 0.00855 0.09826 -0.14380 102 4ZZ -0.09394 -0.07785 -0.06454 -0.12611 -0.01950 103 4XY 0.10869 0.02046 0.03337 0.08794 0.00040 104 4XZ -0.02264 0.09116 -0.00629 -0.06866 -0.03908 105 4YZ -0.01320 -0.09775 0.06127 0.01888 0.11000 106 8 C 1S 0.02265 0.03380 -0.00516 0.03291 0.06113 107 2S 0.07920 0.25970 -0.04316 0.31076 0.33149 108 2PX 0.03741 0.07804 -0.00919 0.06228 -0.06056 109 2PY -0.00814 -0.03770 -0.00047 -0.01872 -0.11239 110 2PZ 0.01251 0.02307 -0.02755 -0.00044 0.06822 111 3S -0.34474 -1.84638 0.19329 -1.85722 -2.47573 112 3PX 0.09483 0.44609 0.11486 0.47319 -0.13423 113 3PY -0.24981 -0.39237 0.37794 -0.25385 -0.83387 114 3PZ 0.02740 0.34396 0.29625 0.74702 0.68359 115 4XX -0.12226 0.02455 -0.05882 0.17793 0.00861 116 4YY -0.00269 -0.00547 -0.17252 -0.30479 -0.15187 117 4ZZ 0.15770 -0.04934 0.22950 0.07219 0.15867 118 4XY 0.08811 0.11443 0.13919 0.22710 -0.11293 119 4XZ -0.05312 -0.00727 -0.04308 -0.15607 0.05347 120 4YZ 0.18083 0.10646 -0.16279 -0.08847 0.29096 121 9 C 1S -0.00067 -0.01499 0.01184 -0.06524 -0.07520 122 2S 0.30396 -0.34675 -0.28215 -0.90305 -0.69782 123 2PX 0.03321 0.00424 -0.00097 -0.01714 -0.01506 124 2PY -0.03334 0.04081 0.00794 0.04878 0.00912 125 2PZ -0.03039 0.04413 0.07162 0.03158 0.03475 126 3S -0.59431 1.27305 0.16513 3.69986 3.47025 127 3PX 0.02671 -0.95908 0.54049 -0.02171 -1.30978 128 3PY -0.33620 0.14262 -0.27698 0.38456 -0.67758 129 3PZ 0.25914 -0.31240 -0.49336 -1.32227 -0.57679 130 4XX 0.17229 0.10132 0.09940 0.10960 0.43331 131 4YY -0.19341 -0.01299 -0.13097 -0.32122 -0.10481 132 4ZZ -0.09285 -0.01259 0.13221 0.34242 -0.26914 133 4XY 0.09220 0.16601 -0.09849 0.04295 0.12291 134 4XZ -0.06358 0.17129 -0.15228 -0.20366 0.09159 135 4YZ -0.02917 0.12687 -0.04931 0.05973 -0.34717 136 10 C 1S -0.04069 0.00962 -0.03674 0.05488 0.03377 137 2S -0.35096 0.42742 -0.55900 0.72100 0.10284 138 2PX -0.02012 0.04335 -0.06558 0.01624 -0.07573 139 2PY 0.01159 -0.00472 -0.01422 -0.01822 0.01911 140 2PZ -0.01433 0.04596 -0.03908 0.01696 -0.04640 141 3S 1.85291 -1.38876 2.72079 -3.60021 -1.19130 142 3PX 0.30986 0.01139 -0.25067 0.15243 0.96006 143 3PY -0.06632 0.63599 0.99859 0.51097 0.87785 144 3PZ 0.18086 -0.56681 0.50745 -0.79229 -0.92624 145 4XX 0.14013 -0.03297 0.14185 -0.14832 0.26468 146 4YY -0.20391 0.10127 -0.02871 -0.13722 -0.07166 147 4ZZ 0.06758 -0.19120 -0.02475 0.18753 -0.14856 148 4XY 0.10662 -0.02521 -0.03420 0.20552 0.22051 149 4XZ 0.04351 0.06768 -0.10945 -0.09942 0.17413 150 4YZ 0.08030 0.00192 -0.14671 -0.00673 0.19372 151 11 C 1S 0.01668 -0.00543 0.03855 0.03505 0.03237 152 2S 0.17383 -0.00928 0.27023 0.28148 0.29929 153 2PX 0.04782 0.01020 0.03847 -0.05399 -0.00187 154 2PY 0.02013 0.01497 0.00739 0.00514 0.02079 155 2PZ -0.01246 -0.01485 0.00470 0.04628 0.01352 156 3S -0.74259 -0.24238 -1.60237 -1.34853 -1.40215 157 3PX -0.11303 0.04794 0.12124 -0.80397 0.30541 158 3PY 0.31363 -0.03429 0.66895 0.34266 0.53352 159 3PZ -0.15324 0.42043 -0.35852 0.22419 0.19949 160 4XX 0.21121 -0.20370 -0.01362 -0.17134 -0.00604 161 4YY -0.20076 0.11573 -0.05509 -0.03644 -0.11966 162 4ZZ -0.04748 0.07840 0.07408 0.21535 0.09796 163 4XY -0.06668 0.02426 0.04661 0.23094 0.23183 164 4XZ 0.15598 0.05982 -0.11598 0.01061 0.05257 165 4YZ -0.14303 0.32502 0.04463 -0.04946 0.37326 166 12 H 1S -0.08312 0.15986 0.09521 -0.02075 0.31391 167 2S -0.06508 0.09735 -0.15723 0.12767 -0.09970 168 13 H 1S 0.14847 -0.29758 0.11610 0.00703 -0.20305 169 2S 0.01300 0.05855 0.04093 0.08649 0.04499 170 14 C 1S 0.01474 -0.01391 -0.01143 -0.06534 0.00110 171 2S 0.07385 -0.03550 -0.26070 -0.52103 0.09391 172 2PX -0.05727 0.02994 -0.02536 -0.02659 -0.03821 173 2PY 0.04996 -0.02094 0.04207 0.04041 0.07689 174 2PZ -0.04537 0.03796 -0.03370 0.04371 0.01414 175 3S -0.44971 0.40025 0.68828 2.43594 -0.46441 176 3PX -0.02895 -0.24931 -0.38691 -0.55066 -0.53146 177 3PY 0.50616 -0.02176 -0.36183 -0.20281 0.09892 178 3PZ -0.23876 0.04938 0.13106 0.81723 -0.34623 179 4XX 0.32264 -0.19142 -0.02478 -0.02183 0.07362 180 4YY 0.09576 0.14571 -0.32387 -0.06371 -0.17512 181 4ZZ -0.41291 0.02175 0.41448 0.11487 0.06443 182 4XY 0.19512 -0.07943 -0.08234 -0.10735 0.00602 183 4XZ -0.11753 -0.02817 0.08025 -0.20098 -0.11090 184 4YZ -0.03613 -0.02766 0.32725 -0.14423 0.10872 185 15 H 1S -0.24209 0.01971 0.25156 -0.08589 0.09655 186 2S -0.02820 0.01155 0.05349 0.12586 0.10213 187 16 H 1S 0.21447 -0.04892 -0.37054 -0.07982 -0.06075 188 2S -0.04736 -0.01440 0.02847 -0.05161 -0.07062 189 17 C 1S -0.05872 0.02481 -0.01678 0.01466 -0.03740 190 2S -0.29204 0.11451 -0.05708 0.19050 -0.36329 191 2PX -0.06449 0.02930 -0.02974 -0.04760 -0.01565 192 2PY -0.03563 0.02197 -0.06842 -0.08915 -0.02752 193 2PZ -0.05180 0.01572 -0.01041 0.09244 0.00874 194 3S 1.81762 -0.70650 0.28672 -0.56088 1.55920 195 3PX -0.75288 0.50876 -0.37417 0.21498 -0.61732 196 3PY -0.17358 0.04412 0.07790 -0.63347 0.25001 197 3PZ -0.10353 -0.25592 0.33681 0.20681 -0.19303 198 4XX 0.28862 -0.00202 0.10915 0.07187 0.06828 199 4YY 0.00476 -0.01430 -0.21595 -0.09700 -0.10962 200 4ZZ -0.33723 0.03397 0.08983 -0.00095 0.08106 201 4XY -0.14636 -0.22708 0.31773 0.19406 0.11207 202 4XZ -0.19275 -0.29756 0.20946 -0.34731 0.05486 203 4YZ -0.30923 -0.01591 -0.04737 -0.09840 -0.06640 204 18 C 1S 0.02970 -0.02489 0.03503 0.05131 0.03424 205 2S 0.18881 -0.17686 0.06225 0.21567 0.24324 206 2PX -0.06394 0.03059 0.01081 0.08008 -0.00275 207 2PY -0.06322 0.04043 -0.05299 -0.07081 -0.01382 208 2PZ 0.00516 -0.00406 -0.02567 -0.05911 -0.03868 209 3S -1.09262 1.02688 -1.04667 -1.67967 -1.31758 210 3PX -0.27329 0.11527 0.12096 0.35140 0.38181 211 3PY -0.53237 0.39919 -0.47973 -0.68917 -0.45545 212 3PZ 0.21634 0.24376 -0.06333 0.29643 0.53670 213 4XX 0.00045 0.07581 0.12176 -0.10134 0.16680 214 4YY -0.21708 -0.03429 -0.15911 -0.24898 -0.15874 215 4ZZ 0.22185 -0.04680 0.09689 0.37921 -0.00143 216 4XY -0.09083 -0.10217 0.08240 0.09430 -0.09863 217 4XZ 0.16241 -0.15886 -0.03506 -0.14616 0.07884 218 4YZ 0.08863 -0.40463 0.40189 0.05276 -0.17929 219 19 H 1S -0.05154 0.23381 -0.15252 0.03441 0.24592 220 2S 0.03870 -0.00806 0.03891 0.12078 0.12868 221 20 H 1S -0.02138 -0.20957 0.24013 0.06419 -0.12975 222 2S -0.03650 -0.03581 -0.12359 -0.19252 -0.09996 223 21 H 1S 0.19126 0.20083 -0.16022 0.18665 -0.14354 224 2S -0.07943 -0.03964 -0.01269 0.03467 -0.00408 225 22 H 1S -0.23252 -0.19503 0.22215 -0.04848 0.01122 226 2S 0.11548 -0.05638 0.11693 -0.07780 0.04892 227 23 H 1S -0.20866 0.17109 0.11647 0.17647 0.02273 228 2S 0.01914 0.00411 -0.03395 0.13849 0.01447 229 24 H 1S 0.11700 -0.18824 0.12479 -0.24462 0.14363 230 2S 0.05929 0.16752 0.03510 0.10522 0.07575 231 25 H 1S -0.04593 0.08188 0.20956 0.34793 0.09423 232 2S -0.11809 0.03646 0.01209 0.01537 -0.01665 233 26 H 1S -0.03406 0.10947 -0.21916 -0.01654 0.00749 234 2S -0.00926 -0.01833 -0.05468 -0.08309 -0.01301 235 27 H 1S -0.06770 0.04105 0.09574 -0.01153 0.02659 236 2S -0.12664 0.17415 0.00657 0.36367 -0.01795 237 28 Br 1S 0.00087 -0.00072 -0.00075 -0.00061 -0.00100 238 2S -0.00352 0.00107 0.00323 0.00330 0.00107 239 3S -0.00094 0.00790 0.00056 -0.00109 0.01115 240 4S 0.02114 -0.02511 -0.01996 -0.01860 -0.03008 241 5S 0.00940 -0.39872 -0.18373 -0.14421 -0.20262 242 6S -0.06811 0.95853 0.47830 0.29534 0.52307 243 7PX -0.00049 -0.00288 -0.00160 -0.00462 -0.00323 244 7PY 0.00070 -0.00236 -0.00290 0.00120 -0.00453 245 7PZ 0.00303 -0.00381 -0.00047 -0.00473 -0.00464 246 8PX 0.00169 0.00972 0.00543 0.01552 0.01094 247 8PY -0.00232 0.00825 0.00975 -0.00381 0.01512 248 8PZ -0.00996 0.01309 0.00168 0.01608 0.01559 249 9PX -0.00859 -0.04771 -0.03156 -0.07082 -0.05671 250 9PY 0.00967 -0.06342 -0.04689 0.00382 -0.06257 251 9PZ 0.03439 -0.07864 -0.01598 -0.08268 -0.07240 252 10PX 0.01057 0.04313 0.08446 0.00162 0.06511 253 10PY -0.00912 0.20929 0.04566 0.04508 0.02709 254 10PZ 0.04418 0.17084 0.08496 0.00999 0.05704 255 11XX 0.00277 0.00343 -0.00078 0.00140 -0.01288 256 11YY 0.00301 -0.01084 0.00157 -0.00144 -0.00032 257 11ZZ -0.00295 -0.00395 -0.00216 0.00270 -0.00507 258 11XY 0.00390 -0.00490 -0.00274 -0.00261 -0.00390 259 11XZ -0.00385 -0.00182 -0.00452 0.00154 -0.00218 260 11YZ -0.00001 -0.00874 0.00066 -0.00425 -0.00105 261 12XX 0.04142 -0.27758 -0.11234 -0.11902 -0.11545 262 12YY 0.02984 -0.15327 -0.14539 -0.05190 -0.21346 263 12ZZ 0.09784 -0.22565 -0.08686 -0.15124 -0.17835 264 12XY -0.03268 0.03166 0.01604 0.00931 0.01375 265 12XZ 0.02058 -0.01028 0.03243 -0.05341 -0.00529 266 12YZ 0.00846 0.05803 -0.01420 0.02282 -0.01405 267 29 C 1S -0.00166 0.01801 0.00333 0.00336 -0.01318 268 2S -0.00412 -0.01838 -0.04114 -0.02270 0.01167 269 2PX 0.00399 0.05268 0.03040 0.00042 -0.00956 270 2PY -0.01866 0.06690 0.00751 0.01887 -0.04434 271 2PZ -0.01121 0.05691 -0.00250 0.03918 -0.03383 272 3S 0.06551 -0.51499 -0.00924 0.01906 0.38228 273 3PX -0.00673 -0.10024 0.12902 -0.08872 -0.12546 274 3PY -0.05139 0.24347 -0.13704 0.15061 -0.01660 275 3PZ -0.04962 0.19554 -0.09724 0.13371 -0.07257 276 4XX -0.03026 0.23545 -0.01056 0.08585 -0.02656 277 4YY -0.05526 0.04890 0.09235 -0.00942 0.00849 278 4ZZ 0.09023 -0.22118 -0.04334 -0.07419 -0.03578 279 4XY -0.03342 -0.08847 -0.03598 -0.02545 0.09349 280 4XZ 0.01890 -0.25242 -0.14765 0.03790 0.14915 281 4YZ -0.00133 0.03844 0.15054 -0.17000 0.02277 282 30 H 1S -0.00603 -0.20275 -0.08167 -0.02033 0.04741 283 2S 0.03910 0.04730 0.17868 -0.10305 -0.12020 284 31 H 1S -0.05695 0.20671 0.10209 -0.04423 -0.01609 285 2S 0.03072 -0.07798 -0.03317 0.00799 -0.01932 286 32 H 1S 0.04667 0.01586 0.02042 -0.00050 -0.05323 287 2S -0.04276 0.01320 0.01251 -0.07789 -0.01495 288 33 H 1S -0.05142 0.27235 0.19742 -0.03977 -0.07003 289 2S -0.08347 -0.02134 -0.06182 0.12548 -0.00883 290 34 H 1S -0.04216 -0.26522 -0.22434 0.17211 0.16323 291 2S 0.07657 -0.02727 0.01072 -0.11769 -0.03210 292 35 H 1S 0.21528 0.19892 0.25844 -0.18958 -0.06959 293 2S -0.00910 0.03113 0.01824 0.01964 -0.02895 294 36 H 1S -0.18152 -0.15424 -0.18895 0.15516 0.02684 295 2S -0.06143 -0.05643 -0.09620 0.03971 0.11551 296 37 H 1S 0.16184 0.07574 -0.01283 -0.03183 0.01656 297 2S 0.05646 -0.10609 0.01150 -0.10066 0.00860 298 38 H 1S -0.22451 -0.11342 -0.11351 0.08718 -0.00310 299 2S -0.02157 0.01986 0.05357 -0.01729 0.01025 300 39 H 1S 0.03975 -0.05119 0.06533 -0.00790 0.01644 301 2S -0.06520 0.01929 -0.04047 -0.00028 -0.03137 302 40 H 1S -0.16410 -0.03424 -0.06456 0.01931 0.00467 303 2S 0.06820 0.08841 0.12265 0.00455 -0.07679 271 272 273 274 275 V V V V V Eigenvalues -- 2.44300 2.45322 2.47026 2.49846 2.50125 1 1 C 1S 0.00081 -0.01905 -0.01485 -0.06726 0.01849 2 2S 0.24976 0.10615 0.08897 -0.14507 0.14499 3 2PX 0.03362 -0.03139 0.10586 0.09271 -0.11536 4 2PY 0.01364 0.04971 -0.02458 0.01539 0.06062 5 2PZ -0.04075 -0.08778 -0.01774 -0.09492 -0.03334 6 3S -0.73540 0.03097 0.03706 1.82340 -0.54862 7 3PX -0.24969 -0.31049 0.08434 0.31686 -0.46536 8 3PY 0.25438 0.45613 0.02449 -0.16220 0.38606 9 3PZ 0.08645 -0.22308 -0.06652 -0.34929 0.04742 10 4XX 0.02959 0.00844 0.13097 0.21330 -0.21925 11 4YY -0.07264 -0.24033 -0.07933 -0.18566 0.06317 12 4ZZ -0.03524 0.14535 -0.10720 -0.14366 0.13478 13 4XY -0.04440 0.00068 -0.11565 -0.33702 0.00815 14 4XZ 0.03907 0.28324 -0.09113 0.19244 0.23653 15 4YZ -0.07848 -0.19780 -0.06457 -0.23837 -0.04801 16 2 C 1S -0.02075 0.03792 -0.01991 0.03101 0.02410 17 2S -0.06880 -0.16859 -0.04224 0.03411 0.02217 18 2PX 0.03503 -0.14337 0.05314 -0.05578 -0.06220 19 2PY 0.09973 0.00008 0.09375 0.07630 -0.03771 20 2PZ -0.03526 -0.06350 -0.03405 -0.10023 -0.00806 21 3S 0.55463 -0.62232 0.49932 -0.70339 -0.62942 22 3PX 0.34518 0.04189 0.17756 -0.18335 -0.13444 23 3PY 0.02715 -0.14762 0.18337 0.26024 -0.26060 24 3PZ -0.12746 -0.30914 -0.05626 -0.27745 -0.14171 25 4XX -0.09153 0.21461 -0.11834 0.13289 0.13451 26 4YY 0.20765 -0.14641 0.23038 0.09028 -0.09725 27 4ZZ -0.14412 0.08347 -0.13145 -0.14966 -0.01611 28 4XY 0.20688 -0.01783 0.18120 0.09141 -0.14185 29 4XZ 0.01013 -0.03615 -0.00952 -0.11461 -0.03075 30 4YZ 0.04185 0.52652 -0.09117 0.29096 0.19669 31 3 C 1S 0.04088 -0.01227 0.03780 0.02450 -0.02053 32 2S 0.07381 0.13079 0.02345 -0.02983 -0.14548 33 2PX -0.00539 -0.02668 0.00095 -0.09803 -0.06412 34 2PY 0.10779 -0.08623 0.09716 0.03498 -0.04741 35 2PZ -0.00046 0.02639 -0.00734 0.01724 0.00253 36 3S -1.08938 0.03038 -0.77204 -0.39628 0.70505 37 3PX -0.30097 -0.24168 0.00025 -0.13882 -0.18973 38 3PY 0.26513 -0.08055 0.24365 0.07452 -0.21583 39 3PZ -0.05990 0.02602 -0.14141 0.12113 0.24968 40 4XX -0.21448 0.20364 -0.18178 -0.14994 -0.06821 41 4YY 0.05744 -0.02700 0.05541 0.10933 0.09070 42 4ZZ 0.22758 -0.25065 0.21496 0.11224 -0.03905 43 4XY -0.14046 0.29643 -0.22525 0.08577 0.20021 44 4XZ 0.21237 0.01570 0.13887 0.16497 0.03152 45 4YZ 0.11786 -0.00554 0.10052 0.13010 -0.11159 46 4 C 1S -0.02010 -0.00807 -0.01861 -0.01100 0.00216 47 2S 0.01580 -0.01902 -0.12014 0.09870 0.18797 48 2PX -0.04246 0.03074 -0.04995 -0.07804 -0.06856 49 2PY -0.02185 -0.03895 0.01953 0.01206 0.00871 50 2PZ 0.04337 0.02338 0.00681 0.03291 0.00934 51 3S 0.63905 0.09096 0.69528 -0.09859 -0.51468 52 3PX -0.32817 0.01153 0.08681 -0.45450 -0.14233 53 3PY 0.28223 0.30180 -0.03888 0.14584 0.17895 54 3PZ 0.18649 0.10546 0.20280 -0.13999 -0.25429 55 4XX 0.17742 0.10727 0.07765 0.23068 0.12422 56 4YY 0.02175 -0.13425 -0.06572 -0.11603 -0.03359 57 4ZZ -0.23527 0.01499 -0.01873 -0.17746 -0.16152 58 4XY -0.16165 0.05908 -0.24128 -0.14682 0.06345 59 4XZ 0.00941 0.21796 0.05318 -0.05603 -0.09383 60 4YZ -0.23959 -0.18835 0.03143 -0.02946 0.04972 61 5 C 1S -0.00904 -0.03246 0.00855 -0.01254 -0.00611 62 2S -0.21712 -0.61819 -0.10843 0.01187 0.05879 63 2PX 0.05027 0.07698 -0.07971 0.02623 0.03006 64 2PY -0.06691 -0.01700 -0.02731 -0.02097 -0.01919 65 2PZ 0.00891 0.08385 0.05130 0.05748 -0.09664 66 3S 0.81289 2.61662 0.15197 0.32035 -0.12210 67 3PX -0.53045 -0.31010 -0.59213 0.81062 0.13049 68 3PY -0.51260 -1.17914 -0.74954 0.46185 0.35931 69 3PZ 0.40524 0.04104 0.34408 -0.60145 -0.53946 70 4XX -0.09149 0.22625 -0.00188 0.01158 0.19765 71 4YY 0.28034 0.05671 0.23855 0.08259 -0.11953 72 4ZZ -0.14262 -0.13686 -0.15934 -0.13513 -0.08070 73 4XY 0.04807 0.17052 0.32096 -0.14852 -0.20499 74 4XZ -0.18916 -0.09538 0.17043 0.10732 -0.04248 75 4YZ 0.03312 0.17234 -0.06783 0.20644 -0.14371 76 6 C 1S 0.01323 0.03796 0.04849 0.04539 -0.08877 77 2S -0.17100 0.26367 0.16772 0.25764 -0.34961 78 2PX -0.01350 -0.07957 0.03263 0.08799 -0.02267 79 2PY 0.01088 0.01965 -0.08713 0.04229 -0.04340 80 2PZ -0.00494 -0.03329 0.02961 -0.02745 0.06496 81 3S -0.12685 -1.86403 -1.68415 -1.82373 3.28224 82 3PX -0.62753 -1.02830 -0.48040 0.51338 0.42576 83 3PY -0.75434 -0.52045 -0.17848 1.34307 -0.98918 84 3PZ 0.32127 0.47206 0.15179 -0.47307 0.21645 85 4XX -0.09355 0.10685 -0.24667 -0.18714 0.16029 86 4YY 0.08967 -0.17638 0.11034 0.08826 0.16572 87 4ZZ 0.08295 0.03392 0.16664 0.11613 -0.39213 88 4XY -0.07780 0.15249 -0.01748 0.28127 -0.32725 89 4XZ 0.08895 0.12191 0.09905 0.20465 0.05809 90 4YZ -0.02489 0.20075 0.19115 0.12899 -0.21860 91 7 C 1S 0.02490 0.01079 -0.00296 -0.06015 0.07758 92 2S -0.03352 -0.05489 -0.14562 -0.42574 0.38224 93 2PX -0.03744 -0.16172 -0.07628 0.02367 0.03191 94 2PY -0.02590 0.11908 0.01228 0.03327 -0.16113 95 2PZ 0.02113 -0.04004 0.01137 0.01200 0.00174 96 3S -0.71649 -0.18723 0.35783 2.86371 -3.26964 97 3PX -0.15216 -0.32680 -0.00672 0.22171 -0.61360 98 3PY -0.09679 0.31392 0.38548 0.81687 -1.09421 99 3PZ -0.24886 -0.25714 -0.15444 -0.17019 0.47309 100 4XX -0.30144 -0.34756 -0.11074 0.22148 -0.13043 101 4YY 0.17580 0.31246 0.13348 0.01353 -0.19665 102 4ZZ 0.16327 0.11826 0.00258 -0.21016 0.33005 103 4XY 0.07927 0.04713 0.14958 -0.14308 0.17649 104 4XZ -0.06756 -0.14273 -0.11507 0.02315 -0.10115 105 4YZ -0.01756 -0.10399 -0.05461 -0.14987 0.23535 106 8 C 1S 0.00060 -0.05254 -0.00935 0.04089 -0.04286 107 2S 0.01155 -0.00025 0.05590 0.30976 -0.31972 108 2PX -0.18461 -0.05819 -0.03385 0.09980 -0.12470 109 2PY -0.07388 0.10163 0.02059 -0.01543 0.00729 110 2PZ 0.00177 -0.05670 -0.00606 0.03488 -0.00558 111 3S -0.14420 1.04891 -0.11260 -1.65164 2.06784 112 3PX -0.49476 -0.19265 -0.23304 0.58501 -0.52027 113 3PY 0.05225 0.23028 -0.14020 -0.59550 0.48132 114 3PZ 0.47792 -0.16475 -0.01235 0.05392 -0.47418 115 4XX 0.18183 0.36562 0.13123 -0.16366 0.16357 116 4YY -0.31792 -0.12597 -0.02470 0.14404 -0.03267 117 4ZZ 0.16016 -0.34724 -0.15175 -0.00812 -0.13530 118 4XY -0.21703 0.13738 0.01873 0.02887 -0.11829 119 4XZ 0.21888 -0.01354 0.04154 -0.17596 0.15408 120 4YZ 0.00083 -0.14043 0.02256 0.11691 -0.08986 121 9 C 1S -0.09062 0.01677 0.03019 -0.00393 0.02650 122 2S -0.21856 0.09978 0.13211 -0.36240 0.05047 123 2PX -0.06259 0.01632 -0.02488 -0.06289 -0.04244 124 2PY 0.01725 0.09205 0.03051 -0.00359 -0.01944 125 2PZ -0.07306 -0.05699 0.04809 0.01565 0.05345 126 3S 2.60500 -0.52118 -1.00920 1.06595 -1.08413 127 3PX -0.16933 -0.10752 -0.10046 -0.65895 0.16321 128 3PY -0.13207 0.38656 -0.57278 0.49834 0.43859 129 3PZ -1.04953 -0.15672 0.42534 0.12874 0.11316 130 4XX 0.12554 -0.01259 -0.06220 -0.13005 -0.20853 131 4YY -0.00345 -0.08230 0.08601 0.02405 0.14714 132 4ZZ -0.25213 0.11308 0.01448 0.24522 0.09963 133 4XY -0.19271 -0.23425 0.14756 0.16830 0.14865 134 4XZ -0.23630 0.27602 0.07050 0.22159 -0.01248 135 4YZ -0.51873 0.07526 0.16343 -0.00834 0.06496 136 10 C 1S 0.02658 0.03564 -0.08094 0.04192 -0.00663 137 2S 0.27561 0.05575 -0.27297 0.31455 0.07917 138 2PX 0.02882 0.00049 0.05113 -0.00335 0.11091 139 2PY 0.06959 -0.00331 0.06983 0.03324 0.01333 140 2PZ -0.03814 -0.02775 -0.03270 -0.01758 0.01177 141 3S -1.40328 -1.14328 2.41437 -1.85948 0.13902 142 3PX -0.72488 0.49979 0.74489 0.05112 0.14168 143 3PY 0.72628 -0.02982 0.77845 -0.26154 -0.25052 144 3PZ -0.81047 -0.30629 0.43820 -0.46749 -0.04214 145 4XX -0.12265 0.04286 0.34605 -0.07555 -0.23183 146 4YY 0.10727 0.02732 0.05607 -0.09630 0.10177 147 4ZZ -0.02784 -0.01558 -0.50213 0.16205 0.06915 148 4XY 0.14954 0.12500 0.17407 -0.00042 0.16845 149 4XZ -0.24931 0.05134 -0.14684 0.03527 0.01720 150 4YZ 0.35085 0.17805 -0.45042 0.07653 -0.21589 151 11 C 1S -0.01475 0.01475 0.05477 -0.03661 0.01443 152 2S -0.01514 -0.13248 -0.00310 0.07030 0.04207 153 2PX 0.05458 -0.03468 0.13780 0.03347 0.02185 154 2PY -0.02810 0.05643 0.16668 -0.10037 0.03988 155 2PZ -0.05097 0.00913 -0.03463 -0.01106 -0.00020 156 3S 0.24947 -0.20124 -1.47704 0.88660 -0.21215 157 3PX 0.15446 -0.44353 0.22546 0.20274 0.00385 158 3PY -0.09626 0.10752 0.66129 -0.31251 0.05249 159 3PZ 0.32894 0.22378 -0.32259 -0.03108 -0.10487 160 4XX -0.02483 -0.02185 -0.15213 0.17669 -0.15574 161 4YY -0.01815 0.05253 -0.04457 -0.15007 -0.00205 162 4ZZ 0.00199 0.05015 0.32209 -0.14506 0.17130 163 4XY -0.14026 0.17253 -0.33003 -0.08397 -0.12501 164 4XZ -0.03320 0.18562 0.35079 -0.32292 -0.06165 165 4YZ 0.00431 0.03791 0.18965 -0.00533 0.03251 166 12 H 1S -0.03204 -0.02358 -0.10859 0.05780 -0.01325 167 2S 0.17244 0.01052 -0.04272 0.01036 -0.05198 168 13 H 1S -0.04131 -0.10603 -0.11334 0.10545 0.01051 169 2S -0.11177 -0.00073 0.10731 -0.07019 0.05517 170 14 C 1S -0.00321 -0.01998 0.00517 0.03972 0.03184 171 2S -0.05720 0.07623 0.04965 -0.04560 -0.08244 172 2PX 0.04586 -0.05778 -0.08511 0.07767 -0.05691 173 2PY -0.00610 -0.00676 0.05016 -0.01399 0.08513 174 2PZ -0.00659 0.06510 -0.01184 -0.09631 -0.12353 175 3S 0.11648 0.38058 -0.02260 -0.69438 -0.48362 176 3PX -0.04211 -0.13280 -0.10150 0.25475 -0.15107 177 3PY -0.13496 0.26619 0.14385 -0.03594 0.25748 178 3PZ -0.05636 0.13602 -0.11641 -0.16250 -0.10249 179 4XX -0.09958 0.12550 0.07311 -0.12271 -0.05760 180 4YY 0.12148 -0.04251 0.04460 0.02749 0.08759 181 4ZZ -0.03073 -0.14864 -0.13026 0.20676 0.08335 182 4XY 0.15382 -0.24883 -0.09555 0.39246 0.24996 183 4XZ 0.00829 -0.05867 -0.08391 0.05801 -0.27666 184 4YZ -0.10396 -0.08092 0.18091 0.06007 0.30472 185 15 H 1S -0.09125 0.02148 0.03228 -0.09303 -0.07449 186 2S 0.06568 -0.04748 -0.11070 0.01762 0.03132 187 16 H 1S -0.01160 0.13458 -0.00640 -0.08470 -0.09267 188 2S -0.07375 0.00220 0.01243 0.04690 0.09443 189 17 C 1S 0.00666 -0.00113 -0.02423 0.01077 -0.04584 190 2S 0.14259 -0.08044 -0.07287 0.06716 0.11216 191 2PX -0.02489 -0.00226 -0.01591 0.01947 -0.13875 192 2PY -0.00163 -0.04591 0.00142 0.11215 0.03114 193 2PZ 0.02589 0.05748 -0.05773 -0.06591 -0.06688 194 3S -0.25121 0.23181 0.42912 -0.32309 0.76989 195 3PX 0.18865 -0.09257 -0.22544 0.17718 -0.18078 196 3PY -0.03846 -0.22689 0.21835 0.17252 -0.03045 197 3PZ -0.12629 -0.08788 0.09094 -0.16085 -0.26069 198 4XX -0.11143 0.07172 0.04283 -0.11845 -0.20713 199 4YY 0.09044 0.09949 0.01407 -0.12950 0.08084 200 4ZZ -0.02481 -0.12783 -0.09984 0.25467 -0.01557 201 4XY -0.01890 0.12377 -0.10581 -0.16974 0.01765 202 4XZ -0.07102 -0.03732 0.04336 0.11438 0.02760 203 4YZ -0.03280 0.05787 -0.11796 -0.06872 -0.54015 204 18 C 1S 0.01664 0.00655 -0.01083 -0.03633 0.00013 205 2S -0.07606 -0.02679 -0.03913 0.07878 -0.03612 206 2PX 0.12945 -0.04181 -0.04123 -0.03580 -0.10201 207 2PY -0.05459 -0.04943 0.01284 0.09960 -0.03016 208 2PZ -0.07335 0.02177 0.03698 0.02037 0.04443 209 3S -0.56676 -0.01405 0.20870 0.72399 0.08438 210 3PX 0.40445 -0.24143 -0.21055 0.01923 -0.39868 211 3PY -0.12722 -0.01005 0.12074 0.30764 -0.07908 212 3PZ 0.09304 0.23692 -0.12162 -0.04665 0.21404 213 4XX -0.21568 0.00746 0.04921 0.14476 -0.07253 214 4YY 0.09517 0.02927 -0.01265 -0.05529 -0.04036 215 4ZZ 0.18399 -0.02031 -0.04187 -0.20764 0.13677 216 4XY 0.12872 -0.12616 -0.09849 0.03130 -0.31571 217 4XZ 0.17601 0.08378 -0.08394 -0.30377 -0.09317 218 4YZ -0.12803 0.05186 0.12126 -0.10634 0.03434 219 19 H 1S -0.03564 0.01520 -0.06289 0.12073 0.01861 220 2S 0.09600 0.04316 -0.00382 -0.04767 -0.02448 221 20 H 1S -0.13208 -0.05014 0.06934 0.08736 -0.09038 222 2S 0.03265 0.03638 0.05760 -0.01458 0.09829 223 21 H 1S 0.06847 0.01340 0.00481 -0.00198 0.17681 224 2S 0.05347 0.05054 -0.11301 0.03058 -0.03705 225 22 H 1S -0.00692 -0.03013 -0.00559 0.03072 0.08312 226 2S -0.11742 -0.00707 0.13597 -0.05314 -0.06807 227 23 H 1S -0.12933 -0.01495 0.36856 -0.03077 -0.00585 228 2S 0.02524 0.02756 -0.07212 0.00102 -0.08748 229 24 H 1S 0.33058 -0.03792 -0.06484 -0.27549 -0.08323 230 2S -0.01439 0.05662 0.16029 -0.06383 -0.00611 231 25 H 1S 0.18223 0.07680 0.00274 -0.08298 -0.05090 232 2S 0.08026 -0.06302 -0.03446 0.02453 -0.12757 233 26 H 1S -0.18279 0.10034 0.08214 0.15917 -0.02293 234 2S -0.01273 -0.03429 -0.04390 0.05914 0.02256 235 27 H 1S -0.00071 -0.10084 -0.09514 -0.10570 0.01598 236 2S 0.02606 0.15910 0.11260 0.03587 -0.15423 237 28 Br 1S -0.00025 -0.00003 -0.00021 -0.00062 -0.00112 238 2S -0.00135 0.00083 0.00102 0.00760 0.00311 239 3S 0.00738 -0.00284 -0.00104 -0.01528 0.00481 240 4S -0.00648 0.00239 -0.00231 -0.01290 -0.02449 241 5S 0.02488 -0.00141 -0.10710 -0.06113 0.09372 242 6S -0.07461 -0.02174 0.24150 0.13184 -0.03492 243 7PX 0.00056 0.00026 -0.00134 -0.00389 0.00440 244 7PY -0.00122 0.00202 0.00077 0.00195 -0.00481 245 7PZ -0.00283 -0.00045 -0.00019 -0.00041 0.00060 246 8PX -0.00179 -0.00085 0.00461 0.01304 -0.01486 247 8PY 0.00400 -0.00667 -0.00249 -0.00648 0.01581 248 8PZ 0.00926 0.00147 0.00066 0.00174 -0.00267 249 9PX 0.00105 0.00028 -0.02978 -0.05316 0.06739 250 9PY -0.01341 0.01925 -0.00130 0.02182 -0.04763 251 9PZ -0.03053 -0.00609 -0.00715 -0.02382 0.04246 252 10PX 0.03678 0.03321 0.06972 -0.04156 0.02569 253 10PY -0.03651 0.03859 0.07572 0.04433 -0.06223 254 10PZ -0.06940 -0.02621 0.01749 0.00514 -0.02859 255 11XX -0.00890 0.00361 -0.00053 0.01198 -0.01117 256 11YY -0.00500 -0.00519 -0.00305 0.00695 0.00062 257 11ZZ 0.00086 0.00488 0.00354 0.00543 -0.00069 258 11XY -0.00172 -0.00356 -0.00752 0.00194 -0.00047 259 11XZ -0.00317 -0.00172 -0.00144 0.00224 0.00004 260 11YZ 0.00408 -0.00056 0.00012 -0.00218 0.00355 261 12XX 0.02016 -0.00874 -0.04894 -0.07417 0.04400 262 12YY -0.01284 0.07294 -0.00480 0.00318 -0.10336 263 12ZZ -0.06785 -0.03170 -0.07269 -0.04957 -0.00098 264 12XY 0.01687 0.02729 0.04645 -0.03438 0.02104 265 12XZ 0.02893 0.01998 0.00647 -0.05698 0.05124 266 12YZ -0.04246 0.01179 0.00946 0.03283 -0.04467 267 29 C 1S -0.00179 0.00026 0.00441 0.00134 -0.01194 268 2S -0.11890 -0.03046 0.05514 0.03093 -0.07378 269 2PX -0.00548 0.02803 0.02930 -0.00544 -0.01426 270 2PY 0.04448 0.02660 -0.01332 -0.00861 -0.03829 271 2PZ 0.02140 0.01475 -0.02630 0.02595 -0.04135 272 3S 0.02503 0.02136 -0.03462 -0.02852 0.37245 273 3PX 0.12540 -0.05068 -0.12900 -0.07321 -0.02438 274 3PY -0.07030 0.06896 0.04644 0.00431 -0.14068 275 3PZ -0.04888 0.04074 -0.04180 0.09401 -0.13614 276 4XX 0.05198 0.00538 -0.05604 0.08285 -0.05137 277 4YY 0.05826 0.01948 0.04218 0.10801 -0.02400 278 4ZZ -0.07206 -0.02755 0.02162 -0.21475 0.09090 279 4XY -0.11362 0.00216 0.16850 0.07617 -0.02870 280 4XZ -0.17377 -0.02385 0.12474 -0.03279 0.01962 281 4YZ 0.12475 -0.05011 -0.01981 -0.00461 0.17436 282 30 H 1S -0.11238 -0.00302 0.09284 -0.01076 -0.03158 283 2S 0.13709 -0.05925 -0.11231 -0.05165 0.04111 284 31 H 1S 0.07285 -0.00907 -0.00155 0.06417 0.02846 285 2S -0.05688 -0.00452 0.05489 -0.05764 -0.06734 286 32 H 1S 0.01570 0.01370 -0.01614 -0.09158 0.03173 287 2S -0.00067 -0.00170 0.06680 0.08713 -0.03832 288 33 H 1S 0.23376 0.13680 -0.04017 0.08707 0.05443 289 2S -0.08294 0.01819 0.02385 -0.04817 -0.02381 290 34 H 1S -0.02799 -0.01735 0.08096 0.06997 -0.03358 291 2S -0.08694 -0.09652 -0.09187 -0.00518 0.04609 292 35 H 1S -0.05319 0.08704 -0.05068 -0.10306 -0.01367 293 2S 0.05409 -0.00822 0.08769 0.04850 -0.12604 294 36 H 1S -0.06230 0.10039 -0.06319 0.01730 -0.03389 295 2S 0.01968 -0.07527 0.02566 -0.01613 -0.00492 296 37 H 1S -0.10552 -0.24244 -0.00518 -0.03673 -0.03914 297 2S -0.01369 0.02016 -0.02313 0.04532 -0.03140 298 38 H 1S 0.09737 -0.04641 0.07206 -0.04046 -0.05210 299 2S 0.01048 0.13978 -0.02727 0.05020 0.02924 300 39 H 1S 0.06427 0.03380 0.06444 0.06855 -0.01489 301 2S -0.03185 -0.01617 0.00794 -0.05424 -0.05172 302 40 H 1S 0.07907 0.12159 0.03855 0.03493 0.06911 303 2S 0.07545 -0.03873 0.00480 -0.15921 0.03798 276 277 278 279 280 V V V V V Eigenvalues -- 2.53545 2.56469 2.58031 2.59953 2.63131 1 1 C 1S -0.02094 0.00024 0.01132 -0.04171 0.02850 2 2S -0.05623 0.04904 -0.10129 -0.08048 0.07959 3 2PX 0.03411 -0.08281 0.00695 -0.09560 -0.18451 4 2PY -0.00107 0.04356 -0.03969 0.08700 0.08339 5 2PZ -0.04306 -0.04074 0.03856 -0.10213 -0.01473 6 3S 0.76858 0.11089 0.12241 0.93466 -0.46053 7 3PX 0.19133 -0.21887 0.43529 -0.36611 -0.58547 8 3PY -0.07343 0.14785 -0.13486 -0.05708 0.06692 9 3PZ -0.06533 0.00950 0.25922 -0.45752 -0.13100 10 4XX 0.11350 -0.19378 0.08693 -0.22473 -0.41860 11 4YY -0.14725 0.10094 0.05581 0.01162 0.18783 12 4ZZ 0.01081 0.04635 -0.08398 0.13999 0.25780 13 4XY -0.20274 -0.12057 0.08588 -0.28211 0.13549 14 4XZ 0.19676 0.23052 -0.09631 0.27688 0.14589 15 4YZ 0.00966 -0.09425 0.11826 -0.31348 -0.17673 16 2 C 1S 0.03711 0.02461 0.00449 0.00768 0.00511 17 2S -0.03965 0.02025 0.03754 0.08100 0.00393 18 2PX -0.09485 -0.03787 0.01622 0.02184 0.02877 19 2PY -0.06373 -0.00647 -0.07896 0.19390 0.05818 20 2PZ -0.02064 -0.03932 0.04363 -0.15666 -0.06582 21 3S -0.69975 -0.43803 0.06118 -0.30754 0.14269 22 3PX -0.18378 -0.15616 -0.21429 -0.04180 -0.04567 23 3PY -0.17340 -0.08996 -0.25059 0.77751 0.36793 24 3PZ 0.04393 -0.11054 0.32726 -0.50726 -0.14663 25 4XX 0.28749 0.10485 -0.14451 0.13426 -0.02287 26 4YY -0.24626 -0.00777 0.01633 0.18975 0.09659 27 4ZZ 0.06304 -0.06783 0.13270 -0.32775 -0.06427 28 4XY -0.18679 -0.10774 -0.23626 0.48270 0.16095 29 4XZ 0.01959 -0.05219 0.13887 -0.34850 -0.16383 30 4YZ 0.30142 0.17777 -0.08656 0.15136 0.05459 31 3 C 1S -0.03245 0.01595 0.01240 0.01485 0.02418 32 2S 0.03402 -0.02834 0.00542 -0.12192 0.04926 33 2PX 0.00037 -0.15090 -0.17637 0.14493 -0.01706 34 2PY -0.11178 -0.00597 -0.01901 0.10607 0.02960 35 2PZ 0.02859 0.02792 0.03521 -0.05794 -0.00085 36 3S 0.81287 -0.31943 -0.41625 0.02379 -0.46040 37 3PX -0.06446 -0.46599 -0.38206 0.67355 0.09197 38 3PY -0.23388 -0.01083 -0.10808 0.26168 0.31975 39 3PZ -0.12557 0.17987 0.05740 -0.02054 -0.05911 40 4XX 0.24293 -0.28089 -0.25620 0.20168 -0.11625 41 4YY -0.07473 0.19530 0.27267 -0.25849 0.00379 42 4ZZ -0.24451 0.12518 0.03102 0.12484 0.14348 43 4XY 0.34499 0.21921 0.15439 -0.40608 -0.08669 44 4XZ -0.19145 0.11682 0.10984 0.10003 0.09420 45 4YZ -0.02740 -0.06945 -0.10930 0.19295 -0.01150 46 4 C 1S 0.02008 -0.02607 -0.07887 0.04306 -0.01918 47 2S 0.03151 0.04798 -0.23498 0.18530 -0.11196 48 2PX 0.01411 -0.09452 0.02141 0.03754 -0.04030 49 2PY 0.02016 0.00891 -0.07020 0.00081 0.02030 50 2PZ -0.04590 0.02116 0.12558 -0.03072 0.00249 51 3S -0.60952 0.43387 2.24707 -1.14306 0.49779 52 3PX 0.25562 -0.51676 -0.05382 0.16863 0.08297 53 3PY 0.02317 0.16537 -0.52767 0.09060 -0.43502 54 3PZ -0.04219 -0.04008 0.67656 -0.37480 -0.04391 55 4XX -0.05090 0.31817 0.16865 -0.13490 0.10105 56 4YY -0.02651 -0.13567 -0.20192 0.14128 -0.04949 57 4ZZ 0.11715 -0.26511 -0.08589 0.01170 -0.06662 58 4XY 0.28643 -0.13252 -0.41135 0.13564 -0.17005 59 4XZ -0.03313 -0.12328 0.21719 -0.00322 0.03390 60 4YZ 0.05030 0.02148 -0.28225 0.13649 0.05294 61 5 C 1S -0.00513 0.00197 0.03132 -0.00315 0.05339 62 2S 0.04263 0.35404 0.26587 0.11861 0.47591 63 2PX -0.01965 0.02309 0.05072 -0.02730 0.01230 64 2PY 0.03385 -0.05516 0.04999 0.03075 -0.00540 65 2PZ 0.04393 -0.02826 0.08226 -0.00709 -0.00570 66 3S -0.25578 -1.07763 -1.79540 -0.26434 -2.92711 67 3PX -0.72820 -0.16972 0.58453 0.68177 -0.53458 68 3PY -0.00994 0.66494 0.38466 0.32264 1.52674 69 3PZ -0.01381 -0.22375 1.52814 -0.74911 0.39532 70 4XX -0.29256 -0.01011 -0.04667 -0.06248 -0.01443 71 4YY 0.04441 -0.00694 -0.03838 0.03153 -0.13011 72 4ZZ 0.23656 -0.07686 0.04740 -0.02703 0.06845 73 4XY 0.11052 -0.12650 0.05532 -0.32656 0.18850 74 4XZ 0.18387 0.05418 -0.03629 0.21221 0.21357 75 4YZ 0.04890 0.02355 0.71068 -0.03365 0.04809 76 6 C 1S 0.02990 -0.06088 -0.02340 -0.01792 -0.07069 77 2S 0.17580 -0.20124 -0.08347 0.04240 -0.43269 78 2PX -0.02010 -0.01834 0.05793 -0.00326 -0.14237 79 2PY 0.08919 -0.03955 0.01340 0.02927 0.00670 80 2PZ -0.04475 0.04842 -0.00578 0.00738 0.03863 81 3S -1.80364 2.23403 0.95343 -0.01036 3.27058 82 3PX 0.08772 0.70369 0.74217 0.05860 0.78773 83 3PY 0.43588 -0.43989 -0.03824 1.36625 0.01925 84 3PZ -0.11730 0.00976 -0.34351 -0.29716 -0.16865 85 4XX -0.04635 0.13401 0.04979 0.05744 0.46122 86 4YY -0.04825 0.13005 0.06166 0.05473 -0.11694 87 4ZZ 0.05396 -0.29886 -0.10736 -0.13325 -0.31704 88 4XY 0.05750 -0.31994 0.07721 0.02573 -0.08345 89 4XZ 0.13179 0.12397 0.00386 -0.00151 -0.16906 90 4YZ 0.04298 -0.08855 -0.06609 0.00172 0.04757 91 7 C 1S -0.03450 0.02203 -0.00521 -0.04136 0.04630 92 2S -0.38239 0.21124 0.22214 -0.26604 0.45021 93 2PX -0.00123 0.11479 0.11614 0.07587 -0.04784 94 2PY -0.00381 -0.14238 -0.02122 -0.02031 -0.00122 95 2PZ 0.04577 0.02494 0.01126 0.03798 -0.06528 96 3S 1.56752 -1.36553 -0.36065 1.91677 -2.55774 97 3PX 0.10211 -0.00781 0.16206 0.20990 -1.01474 98 3PY 0.76793 -0.76492 -0.50863 0.57017 -0.58435 99 3PZ -0.44522 0.44307 0.34938 -0.18621 0.39688 100 4XX 0.05944 0.24107 0.23275 0.26055 -0.21941 101 4YY 0.11061 -0.32915 -0.22958 -0.10400 0.04308 102 4ZZ -0.12274 0.01279 -0.07956 -0.15866 0.09622 103 4XY -0.17207 0.01100 -0.07454 -0.12826 0.02158 104 4XZ 0.07501 -0.02682 0.05876 0.08699 -0.11952 105 4YZ -0.10390 0.18552 0.07576 -0.01149 0.14153 106 8 C 1S 0.05217 -0.00563 0.00249 0.04119 -0.05743 107 2S 0.19939 -0.21814 -0.03687 0.15036 -0.23280 108 2PX -0.01873 0.03080 0.08939 0.09614 -0.07376 109 2PY -0.08593 -0.01788 0.04439 -0.01217 0.08069 110 2PZ 0.03627 0.01460 -0.01069 0.03624 -0.04194 111 3S -1.89242 0.78092 0.21636 -1.47284 2.32013 112 3PX -0.41997 0.21288 0.40354 0.18962 -0.61865 113 3PY -0.52213 0.23451 0.35636 -0.39701 0.39411 114 3PZ 0.61934 -0.28442 -0.06958 0.21153 -0.50752 115 4XX -0.09583 -0.12848 -0.31027 -0.24617 0.30130 116 4YY -0.05808 0.02655 0.23844 0.20840 -0.16370 117 4ZZ 0.21082 0.13205 0.09806 0.09423 -0.19707 118 4XY -0.21934 -0.01971 0.17608 0.07162 -0.00209 119 4XZ 0.10687 -0.09915 -0.08168 -0.05605 0.02992 120 4YZ 0.14431 -0.04835 -0.09089 0.03688 -0.04538 121 9 C 1S -0.05797 0.01779 0.02179 -0.01997 0.03437 122 2S -0.30876 0.24022 0.04057 -0.25699 0.25295 123 2PX 0.04781 0.02510 0.06011 0.05309 0.12364 124 2PY -0.09104 -0.02803 0.01431 0.00826 -0.10494 125 2PZ 0.04993 -0.00654 -0.00203 -0.01362 -0.00152 126 3S 2.13196 -1.27991 -0.38136 1.29995 -1.86843 127 3PX 0.24790 0.01187 0.70343 -0.15694 0.75473 128 3PY -1.51059 0.27649 -0.06909 -0.38666 0.00785 129 3PZ -0.07573 0.29397 -0.26474 0.06936 0.63767 130 4XX 0.26363 0.01641 -0.04785 0.07216 0.25274 131 4YY 0.01964 -0.11210 0.12387 0.13833 -0.18498 132 4ZZ -0.29436 0.00778 -0.02214 -0.18465 -0.05956 133 4XY 0.09236 0.08378 -0.27619 -0.15680 -0.04448 134 4XZ -0.49067 -0.06925 -0.06783 -0.05536 -0.05533 135 4YZ 0.04664 -0.10895 0.15296 0.08748 0.30362 136 10 C 1S -0.06533 -0.03312 -0.01118 0.02227 -0.08578 137 2S -0.06223 -0.36867 -0.05603 0.21348 -0.43977 138 2PX -0.00533 0.00142 0.03573 -0.01921 -0.05982 139 2PY -0.03703 0.02769 -0.03692 -0.06271 0.03018 140 2PZ 0.04791 -0.00816 -0.00864 0.03434 0.03667 141 3S 1.63283 1.73429 0.61072 -1.02361 3.30812 142 3PX 0.21687 0.19885 -0.59375 0.19457 -0.54826 143 3PY 0.97358 0.19315 0.09086 -0.06537 -0.39983 144 3PZ 0.53773 0.07813 0.07863 -0.08402 0.90017 145 4XX 0.08994 -0.15246 -0.03906 -0.09697 0.35589 146 4YY 0.03465 0.23088 0.08753 0.14116 -0.31151 147 4ZZ -0.24469 0.00417 -0.08317 -0.07886 -0.11842 148 4XY -0.05850 0.15516 -0.10195 -0.16455 -0.19807 149 4XZ -0.16129 0.04705 0.04432 0.14963 0.07098 150 4YZ -0.34937 -0.07570 -0.13638 -0.00598 -0.15853 151 11 C 1S 0.01075 0.03228 0.00205 0.00571 -0.03414 152 2S 0.00224 0.17607 -0.10849 -0.03892 0.02723 153 2PX 0.10451 0.03641 -0.00754 -0.09606 0.11313 154 2PY 0.03998 0.06362 0.01627 0.01198 -0.06505 155 2PZ -0.02955 -0.00458 -0.00802 0.03117 -0.03993 156 3S -0.49041 -1.19556 0.17070 -0.01439 0.71937 157 3PX 0.63323 0.12484 0.11602 -0.03729 0.58704 158 3PY 0.24210 0.26589 -0.15472 -0.19434 -0.11397 159 3PZ -0.38068 -0.13301 0.04330 0.11909 -0.48833 160 4XX -0.01772 -0.15104 -0.07726 -0.16822 0.38967 161 4YY -0.03442 0.16886 0.10242 0.19277 -0.25280 162 4ZZ 0.09193 -0.00878 0.04333 0.03448 -0.21775 163 4XY -0.26970 -0.20687 0.01035 0.20549 -0.21681 164 4XZ 0.01691 0.28642 -0.02136 0.06425 -0.28513 165 4YZ 0.10775 -0.06192 0.03317 0.00425 0.17150 166 12 H 1S 0.01191 -0.10241 0.02400 0.03393 0.11712 167 2S -0.09857 0.19602 0.04622 0.08880 -0.14548 168 13 H 1S -0.01216 0.06645 -0.05518 -0.07930 0.09779 169 2S 0.05769 0.06177 0.02474 0.07160 -0.01783 170 14 C 1S 0.01055 -0.03705 -0.00346 -0.02094 0.02258 171 2S -0.00118 0.00673 -0.01799 0.04985 0.06761 172 2PX 0.03608 -0.00838 0.00341 -0.03330 0.16505 173 2PY 0.01869 -0.06664 0.00451 0.02458 -0.11976 174 2PZ -0.01944 0.11270 0.00425 0.04926 -0.01735 175 3S -0.35361 0.94766 0.04427 0.14418 -0.67872 176 3PX 0.08387 0.14336 0.01287 -0.06474 0.54798 177 3PY -0.36170 -0.09714 -0.12773 -0.06454 -0.42266 178 3PZ -0.20576 0.25605 0.02677 0.05328 -0.00664 179 4XX -0.11923 0.03747 -0.08418 -0.02400 -0.25687 180 4YY 0.09201 -0.01268 0.06910 0.00648 0.07449 181 4ZZ 0.03200 -0.10800 0.01320 -0.04696 0.19964 182 4XY 0.11492 -0.43350 -0.00392 -0.19210 0.26201 183 4XZ 0.04177 0.28664 -0.06937 -0.08030 0.27321 184 4YZ 0.02198 -0.13212 -0.02112 -0.03243 -0.28022 185 15 H 1S 0.01765 0.11879 -0.00255 0.05896 -0.03129 186 2S 0.04874 -0.19673 0.05764 0.06296 0.05750 187 16 H 1S -0.08702 0.04880 -0.00908 0.03135 -0.01159 188 2S -0.06082 -0.04198 -0.01765 -0.03813 0.06333 189 17 C 1S -0.00409 0.04566 -0.01019 -0.01892 0.01192 190 2S -0.00698 0.01396 0.10041 -0.02036 -0.10078 191 2PX 0.00290 0.12435 -0.06773 -0.06579 0.03653 192 2PY 0.00059 -0.02482 -0.05935 -0.10072 -0.05576 193 2PZ -0.03788 0.05945 0.01938 0.05141 0.04077 194 3S 0.08688 -1.10814 0.02692 0.45569 0.02511 195 3PX -0.02505 0.22447 0.07367 -0.17675 0.00374 196 3PY 0.32464 -0.03916 -0.13108 -0.22680 -0.13598 197 3PZ 0.24474 0.19562 0.11436 0.18681 0.30566 198 4XX -0.08349 0.32572 -0.14157 -0.03490 0.02740 199 4YY 0.00278 -0.14664 0.17634 0.14759 -0.01960 200 4ZZ 0.03948 -0.09157 -0.09199 -0.14306 0.04799 201 4XY -0.09813 -0.11458 0.19327 0.28999 0.11586 202 4XZ 0.00801 -0.06576 -0.05941 -0.10038 -0.15859 203 4YZ 0.00217 0.46612 -0.14222 -0.07535 0.12912 204 18 C 1S 0.03152 -0.02356 0.03354 0.04712 0.00671 205 2S 0.07927 -0.09075 -0.07396 0.00209 0.09417 206 2PX 0.17376 0.00845 0.01516 -0.00331 -0.00138 207 2PY -0.01288 0.05012 -0.09296 -0.09557 -0.00788 208 2PZ -0.07002 -0.00565 0.00581 0.00053 -0.00287 209 3S -1.19002 0.94778 -0.62350 -0.99314 -0.11451 210 3PX 0.69279 -0.02934 0.08234 0.01754 -0.14673 211 3PY -0.25011 0.23960 -0.09285 -0.27502 -0.22771 212 3PZ -0.41450 -0.06088 -0.17082 -0.00250 -0.16489 213 4XX -0.25310 0.24932 -0.24857 -0.16828 -0.04667 214 4YY 0.11383 -0.12364 0.18799 0.12350 -0.05824 215 4ZZ 0.19149 -0.13884 0.17805 0.17288 0.03508 216 4XY 0.27982 0.24181 -0.14209 -0.20958 0.04039 217 4XZ 0.14395 -0.10771 0.23330 0.28120 0.12716 218 4YZ -0.08190 0.05688 0.06494 0.09461 -0.14500 219 19 H 1S -0.08125 -0.02703 -0.08922 -0.05960 0.02376 220 2S 0.03480 -0.04281 0.02393 0.06137 -0.12319 221 20 H 1S 0.01781 0.09221 -0.03834 -0.04966 -0.07804 222 2S 0.01227 -0.10574 0.06124 0.01817 0.04923 223 21 H 1S -0.07296 -0.05070 0.05058 -0.00538 -0.05573 224 2S -0.11693 0.05235 -0.05738 -0.02956 -0.06619 225 22 H 1S 0.03141 -0.13154 0.08145 0.06096 -0.02590 226 2S 0.01336 0.15205 -0.08869 -0.03306 -0.02812 227 23 H 1S 0.29740 -0.12359 0.06621 0.07502 -0.04980 228 2S 0.08799 -0.02187 -0.03754 0.01868 -0.08525 229 24 H 1S 0.11858 0.07447 0.05029 -0.01312 -0.04200 230 2S 0.05804 -0.08671 0.03723 -0.05889 -0.11891 231 25 H 1S 0.06263 -0.06598 -0.02474 -0.00802 -0.04410 232 2S 0.17163 -0.07306 0.05288 0.02877 -0.12287 233 26 H 1S -0.04723 -0.08011 -0.05456 0.05907 -0.00922 234 2S -0.04961 0.03681 0.00920 0.01006 -0.01975 235 27 H 1S 0.03643 0.03002 0.04886 -0.00255 0.00711 236 2S 0.08644 -0.13704 -0.14216 0.05908 -0.16824 237 28 Br 1S 0.00044 -0.00065 0.00054 -0.00056 0.00013 238 2S -0.00493 0.00283 -0.00501 0.00485 -0.00089 239 3S 0.01066 0.00001 0.00862 -0.00689 0.00082 240 4S 0.00328 -0.01581 0.01019 -0.01545 0.00415 241 5S -0.19814 -0.02819 -0.06705 -0.08259 0.09036 242 6S 0.34620 0.16880 0.14469 0.20755 -0.15469 243 7PX -0.00320 0.00164 -0.00003 -0.00201 0.00455 244 7PY -0.00085 -0.00349 -0.00142 -0.00011 -0.00240 245 7PZ -0.00387 0.00101 0.00101 -0.00122 0.00279 246 8PX 0.01090 -0.00552 0.00014 0.00683 -0.01523 247 8PY 0.00307 0.01160 0.00487 0.00036 0.00789 248 8PZ 0.01334 -0.00352 -0.00332 0.00433 -0.00952 249 9PX -0.05521 0.02441 -0.00242 -0.03138 0.06395 250 9PY -0.02891 -0.04297 -0.02615 -0.00249 -0.02018 251 9PZ -0.07788 0.02209 0.01003 -0.02885 0.05137 252 10PX 0.01965 0.01326 0.02025 -0.02306 0.03116 253 10PY 0.08433 0.00629 0.03843 0.03628 -0.06630 254 10PZ 0.03958 0.03658 0.06260 0.02102 0.00317 255 11XX -0.00273 -0.00327 -0.00330 0.00498 -0.00253 256 11YY -0.00817 0.00363 -0.00404 0.00443 0.00377 257 11ZZ -0.00364 -0.00139 -0.00529 0.00240 -0.00271 258 11XY -0.00071 -0.00118 -0.00215 0.00060 0.00020 259 11XZ -0.00161 -0.00003 -0.00127 0.00057 -0.00360 260 11YZ -0.00332 -0.00101 -0.00220 -0.00295 0.00293 261 12XX -0.10115 -0.01948 -0.01524 -0.07412 0.07845 262 12YY -0.04124 -0.10548 -0.03282 -0.05049 -0.02441 263 12ZZ -0.12887 -0.00937 0.01832 -0.06849 0.09464 264 12XY -0.01047 0.01254 0.01172 -0.01531 0.01136 265 12XZ -0.02174 0.01934 0.01061 -0.03280 0.07007 266 12YZ 0.01481 -0.00325 0.01516 0.02518 -0.03385 267 29 C 1S 0.01653 0.00575 0.05231 -0.00843 0.01970 268 2S -0.05130 0.04633 0.08855 -0.01371 0.11176 269 2PX 0.00589 0.00043 -0.00737 -0.01861 -0.00096 270 2PY 0.03993 -0.02454 0.09763 -0.03032 -0.00228 271 2PZ 0.05440 -0.01150 0.11636 -0.00878 0.01769 272 3S -0.08499 -0.06049 -1.16691 0.32275 -0.57146 273 3PX 0.10359 0.03319 0.10525 -0.03053 0.15625 274 3PY -0.02008 -0.05709 0.36198 -0.02592 -0.04696 275 3PZ 0.01044 0.00135 0.45164 -0.11096 0.14727 276 4XX 0.03956 0.00799 0.24740 -0.01412 0.00490 277 4YY 0.05036 0.05474 0.07644 0.01512 0.03933 278 4ZZ -0.01056 -0.03982 -0.18559 -0.02829 -0.00603 279 4XY 0.01041 0.00797 0.01282 0.01287 -0.00902 280 4XZ 0.01291 -0.02729 -0.05576 0.05022 0.03072 281 4YZ -0.18759 0.05106 -0.35495 0.02446 -0.04757 282 30 H 1S 0.02783 -0.01434 0.03309 0.00326 0.03742 283 2S 0.02557 0.07159 0.03243 -0.03830 0.13640 284 31 H 1S -0.08373 0.04570 -0.02133 -0.00655 -0.00332 285 2S 0.09028 -0.03433 0.04924 0.03159 -0.00703 286 32 H 1S -0.03771 -0.01718 -0.04961 -0.04111 0.01286 287 2S 0.02348 0.02585 0.01674 -0.05459 0.08924 288 33 H 1S -0.01524 0.08061 0.04260 -0.02240 -0.08119 289 2S 0.06802 -0.04916 -0.09132 0.01106 -0.09370 290 34 H 1S -0.09901 0.03507 0.06608 -0.00745 0.04709 291 2S 0.15752 -0.04049 0.00133 -0.06639 0.07711 292 35 H 1S 0.08071 -0.02911 0.00833 -0.08361 0.00246 293 2S -0.00417 -0.03722 0.05589 -0.02326 -0.04414 294 36 H 1S 0.08707 -0.04048 -0.02991 -0.02996 -0.05709 295 2S -0.15153 0.00862 0.14129 -0.02608 -0.00118 296 37 H 1S -0.04099 -0.01326 0.02784 0.04215 0.00125 297 2S 0.04065 -0.01457 0.02287 0.03900 0.05021 298 38 H 1S -0.12686 -0.05789 0.00462 -0.02274 -0.01670 299 2S 0.10438 -0.03368 -0.12476 0.01532 -0.13161 300 39 H 1S -0.02972 0.00073 -0.05361 0.04169 0.03510 301 2S -0.02382 -0.06334 -0.02967 0.03522 0.06140 302 40 H 1S 0.09523 0.02788 -0.04735 0.01679 -0.04926 303 2S -0.14726 -0.00617 0.06837 -0.11630 -0.00572 281 282 283 284 285 V V V V V Eigenvalues -- 2.66446 2.67080 2.72690 2.75728 2.81373 1 1 C 1S -0.02208 -0.01444 0.00527 -0.01661 -0.01969 2 2S -0.01222 -0.08997 -0.07649 -0.02194 -0.14359 3 2PX 0.15433 -0.02904 -0.01555 0.05726 0.08581 4 2PY -0.05410 0.02176 0.01633 -0.02013 -0.03174 5 2PZ -0.00389 -0.03814 0.00079 -0.01505 0.00951 6 3S 0.54209 0.84138 0.43581 0.10705 0.67645 7 3PX 0.44961 0.11940 0.09509 0.22183 0.28289 8 3PY 0.02884 0.09447 -0.30051 0.30856 -0.08095 9 3PZ 0.03798 -0.25266 -0.02235 0.07817 -0.11261 10 4XX 0.30972 -0.00639 -0.00348 0.13253 0.19527 11 4YY -0.16550 -0.04379 0.02199 -0.06562 -0.11154 12 4ZZ -0.17239 0.08191 0.05722 -0.11249 -0.04989 13 4XY -0.14770 -0.13468 0.06225 -0.09191 0.08210 14 4XZ -0.06903 0.12140 -0.04116 -0.00802 -0.15633 15 4YZ 0.12440 -0.06053 0.00986 0.04722 0.02670 16 2 C 1S -0.00099 -0.00041 0.00328 -0.00523 0.00023 17 2S 0.03064 0.13894 0.07546 -0.01215 0.10059 18 2PX -0.01727 0.04011 0.01554 -0.02437 -0.00757 19 2PY -0.04039 0.08228 -0.02724 -0.00416 -0.00555 20 2PZ 0.03514 -0.07195 0.01386 0.01575 0.02331 21 3S -0.24468 -0.30294 -0.12408 -0.14846 -0.41549 22 3PX -0.02314 -0.15893 -0.15053 0.06761 -0.14984 23 3PY -0.24566 0.40099 0.10830 -0.24317 -0.02799 24 3PZ 0.10176 -0.13715 0.01417 -0.01854 -0.02842 25 4XX 0.05756 0.06345 -0.02417 0.05477 -0.11233 26 4YY -0.08370 0.06141 -0.04591 -0.02221 0.02633 27 4ZZ 0.00586 -0.17260 0.05080 -0.05834 0.06060 28 4XY -0.12519 0.21207 0.01635 -0.06038 0.00934 29 4XZ 0.11272 -0.11324 -0.03683 0.04951 0.00591 30 4YZ -0.01225 0.02065 -0.02875 -0.01288 -0.08201 31 3 C 1S -0.02397 -0.03201 -0.01015 -0.01608 -0.01321 32 2S -0.11344 -0.16970 -0.03301 -0.13003 -0.20231 33 2PX 0.01999 0.17717 0.01524 0.02885 -0.00453 34 2PY -0.02967 0.01717 -0.01145 -0.00011 0.00500 35 2PZ -0.00388 -0.06961 -0.01690 -0.00262 -0.01963 36 3S 0.74287 0.99517 0.24052 0.59938 0.65410 37 3PX 0.07285 0.91666 0.14555 0.03474 0.24010 38 3PY -0.22758 -0.01456 -0.03005 -0.19609 -0.21079 39 3PZ 0.00207 -0.12523 0.16282 0.00914 0.21499 40 4XX 0.11855 0.43725 0.02878 0.06909 0.02527 41 4YY -0.01359 -0.26350 -0.02798 -0.00784 0.02978 42 4ZZ -0.10963 -0.17081 -0.02632 -0.05018 -0.00880 43 4XY 0.06325 -0.34881 0.00847 -0.01141 -0.09979 44 4XZ -0.08642 -0.08377 -0.04434 -0.01234 0.06192 45 4YZ 0.00674 0.13200 0.01431 -0.01868 -0.00173 46 4 C 1S 0.01175 -0.01139 0.05181 0.00439 0.00508 47 2S 0.02419 -0.07670 0.17291 0.03403 0.04702 48 2PX 0.00147 0.21359 -0.02123 -0.01216 -0.02555 49 2PY 0.00629 -0.12779 0.03308 0.01086 -0.00544 50 2PZ -0.01535 0.10644 -0.05815 0.00035 0.02308 51 3S -0.49083 0.28530 -1.34351 -0.27480 -0.29398 52 3PX 0.19040 1.02895 -0.43579 0.24284 0.17452 53 3PY -0.01998 -0.99232 0.08731 0.15114 0.07635 54 3PZ -0.04295 0.31121 -0.48610 -0.00203 -0.05804 55 4XX -0.12379 -0.59859 -0.01733 -0.05731 -0.01619 56 4YY 0.08192 0.23123 0.08970 0.02993 0.01466 57 4ZZ 0.05410 0.34218 0.04050 0.00818 -0.01928 58 4XY 0.11127 0.02373 0.17582 0.05829 -0.03881 59 4XZ -0.05482 0.32734 -0.16521 0.00221 0.05931 60 4YZ -0.05808 -0.37938 0.18296 -0.02786 0.02327 61 5 C 1S -0.01488 0.04940 0.02261 -0.06124 -0.02490 62 2S -0.16792 0.44027 0.26268 -0.45156 -0.22967 63 2PX -0.03350 0.02512 0.06097 -0.05546 0.13674 64 2PY -0.03212 -0.01852 0.09618 -0.11314 0.09895 65 2PZ 0.00912 0.09323 -0.03921 -0.03503 -0.06941 66 3S 0.86364 -2.67410 -1.54648 2.98789 0.98633 67 3PX 0.17845 0.77161 0.58466 0.04435 2.07175 68 3PY -0.29642 0.97709 2.01423 -1.70879 -0.38806 69 3PZ -0.28576 1.07594 -0.62134 -0.19341 -0.94468 70 4XX -0.06494 -0.17030 -0.18627 0.24706 0.38899 71 4YY 0.12699 -0.02224 -0.30404 0.11213 -0.21585 72 4ZZ -0.02592 0.14036 0.38351 -0.33049 -0.19589 73 4XY -0.00361 0.14697 -0.45129 0.09520 -0.67394 74 4XZ -0.09151 -0.30502 0.29607 -0.19061 -0.06446 75 4YZ -0.12141 0.51956 0.07910 -0.33059 0.19069 76 6 C 1S 0.01674 -0.06264 -0.07568 0.02593 -0.00313 77 2S 0.13318 -0.29341 -0.28268 0.27397 0.07563 78 2PX 0.11426 0.03278 0.07602 0.03329 0.10922 79 2PY -0.08291 -0.10563 0.13946 -0.16690 0.12356 80 2PZ 0.01253 0.01877 -0.02541 0.07096 -0.04058 81 3S -0.68633 2.78776 2.45327 -1.38730 -0.45346 82 3PX 0.27079 1.50532 1.51458 -0.84359 0.34485 83 3PY -0.54333 -0.26452 1.06989 -1.56822 1.27616 84 3PZ 0.08922 -0.30772 -0.63522 0.52480 -0.38841 85 4XX -0.45300 -0.11979 0.08379 -0.30127 -0.15358 86 4YY 0.31108 0.28682 0.06572 0.16223 0.11710 87 4ZZ 0.10541 -0.20000 -0.24224 0.08496 -0.00185 88 4XY -0.08368 -0.17246 0.41300 -0.40768 0.59034 89 4XZ 0.16531 0.03172 -0.26472 0.19721 -0.15097 90 4YZ -0.13749 -0.24465 -0.23100 -0.01366 -0.07951 91 7 C 1S 0.01740 0.06001 -0.00614 -0.00118 0.00388 92 2S -0.13060 0.37104 -0.01008 -0.11509 -0.09217 93 2PX 0.03622 0.06652 0.04186 0.06272 -0.12353 94 2PY -0.11181 -0.14597 -0.01798 -0.09595 0.09707 95 2PZ 0.04743 -0.01255 0.01642 0.05155 -0.03343 96 3S -0.24106 -2.49860 0.00582 0.13617 0.40606 97 3PX 0.19304 -0.76327 -0.25939 1.17851 -0.71065 98 3PY -0.12529 -1.03185 -0.12353 -0.51270 0.65565 99 3PZ 0.02818 0.65312 0.14700 0.13181 -0.28982 100 4XX 0.06864 0.00210 0.01108 0.33881 -0.29986 101 4YY -0.10541 -0.22863 0.03178 -0.29900 0.31193 102 4ZZ 0.11786 0.19376 -0.01844 -0.01437 0.07562 103 4XY 0.22999 0.20838 0.02017 0.22910 0.10741 104 4XZ -0.05306 -0.15353 -0.02122 -0.04623 -0.08237 105 4YZ 0.03585 0.17181 -0.03182 0.13169 -0.13056 106 8 C 1S 0.01275 -0.04308 -0.02934 -0.02951 -0.02344 107 2S 0.03876 -0.24382 0.01334 -0.06276 0.04732 108 2PX -0.00665 -0.07327 0.00791 0.16434 -0.10521 109 2PY -0.01273 0.03883 0.05362 0.07903 0.02037 110 2PZ 0.01145 -0.02002 -0.02429 -0.03120 -0.00574 111 3S -0.33829 2.19274 0.60954 0.14635 0.49799 112 3PX -0.07127 -0.08177 0.42373 1.06524 -0.58359 113 3PY -0.15699 0.49151 0.20234 0.65850 -0.21732 114 3PZ 0.00741 -0.56804 -0.16524 0.02596 -0.11033 115 4XX -0.00982 0.10375 -0.06343 -0.11837 0.24699 116 4YY 0.05438 -0.07819 0.03873 0.14057 -0.23173 117 4ZZ -0.01159 -0.06507 -0.06825 -0.10987 -0.11436 118 4XY 0.04442 0.02921 0.21460 0.47530 -0.05747 119 4XZ 0.04018 -0.02284 -0.11974 -0.25892 0.07746 120 4YZ 0.04745 -0.03728 -0.14538 -0.17802 0.03317 121 9 C 1S 0.01983 0.04626 -0.04163 0.00229 0.00741 122 2S 0.06224 0.40054 -0.32423 -0.07966 0.12032 123 2PX -0.07819 0.01718 -0.02955 0.13720 0.04542 124 2PY 0.05569 -0.04179 0.10582 0.06012 -0.10519 125 2PZ 0.00743 0.01046 -0.12060 -0.03503 0.06034 126 3S -0.41108 -2.33638 1.25516 0.21987 -0.16177 127 3PX -0.25820 0.51588 -0.32931 0.96609 0.38103 128 3PY -0.08560 0.39523 1.02666 0.16415 -0.50118 129 3PZ 0.29306 0.25191 -0.82453 -0.99505 0.49995 130 4XX -0.11682 -0.07509 -0.11808 0.27409 0.21563 131 4YY 0.10303 -0.12065 -0.04061 -0.22537 -0.12310 132 4ZZ 0.02914 0.16546 0.18581 0.01238 -0.14723 133 4XY 0.15709 0.13728 -0.44615 -0.62875 0.12839 134 4XZ 0.15804 -0.02639 0.32938 -0.02850 -0.31968 135 4YZ -0.02882 0.03192 -0.24174 0.32620 0.28786 136 10 C 1S 0.00474 -0.02407 -0.00180 0.03333 0.03313 137 2S 0.05752 -0.34776 0.00776 0.28834 0.15428 138 2PX 0.01578 0.04677 0.00080 -0.01005 0.14483 139 2PY 0.03719 0.03994 0.14516 0.02350 -0.10086 140 2PZ -0.02763 -0.04644 -0.09518 0.00646 0.04308 141 3S -0.33735 1.76791 0.25735 -1.79321 -1.42632 142 3PX 0.49816 -0.19482 -0.07752 0.99643 1.75845 143 3PY -0.06536 -0.30394 1.30974 -0.05646 -0.86129 144 3PZ 0.10157 0.47361 -1.05973 -0.37971 -0.05119 145 4XX -0.02343 -0.06397 0.22473 -0.04087 -0.44854 146 4YY 0.06014 0.01913 0.06712 0.02279 0.29376 147 4ZZ -0.01973 0.17380 -0.30178 0.00096 0.22404 148 4XY 0.08479 0.08560 0.58249 0.17142 0.19087 149 4XZ -0.01029 -0.06453 -0.39516 0.17255 0.49244 150 4YZ -0.01192 -0.08688 0.21299 -0.01334 -0.35585 151 11 C 1S -0.03333 0.01039 0.06091 -0.00657 -0.00516 152 2S -0.09989 0.15690 0.36541 -0.10221 -0.02646 153 2PX 0.11353 -0.01712 0.11832 0.04741 0.00505 154 2PY -0.01462 0.01129 0.08502 0.00057 0.04145 155 2PZ -0.04779 0.00925 -0.04369 -0.02675 -0.00913 156 3S 0.87698 -0.26967 -1.75204 0.34653 0.29421 157 3PX 0.53683 0.29323 0.95355 -0.00231 0.26975 158 3PY -0.27649 0.11024 0.54658 0.10063 -0.23263 159 3PZ -0.36916 -0.26113 -0.26149 -0.06393 -0.18875 160 4XX 0.19389 -0.03305 -0.02395 0.17089 -0.03184 161 4YY -0.08403 -0.02043 -0.10869 -0.10559 0.08394 162 4ZZ -0.14308 0.00230 0.16575 -0.02781 -0.04728 163 4XY -0.31230 -0.13736 -0.42311 -0.07593 -0.13235 164 4XZ -0.17711 0.02584 0.12912 -0.05247 0.00399 165 4YZ 0.14880 -0.00534 0.21766 0.14463 0.07584 166 12 H 1S 0.02603 0.01706 0.06349 0.02460 0.02038 167 2S -0.02583 -0.14066 0.07772 -0.12664 0.05675 168 13 H 1S 0.03838 0.05701 0.04865 -0.02277 0.00173 169 2S 0.00941 0.06270 0.01750 -0.06916 0.09120 170 14 C 1S -0.00021 0.01078 0.00515 0.02786 0.01888 171 2S 0.09081 -0.01199 -0.02405 0.08600 0.17419 172 2PX 0.19022 0.00818 0.02022 0.01259 0.02429 173 2PY -0.16180 -0.00015 -0.01015 -0.01961 -0.03259 174 2PZ 0.05424 -0.01453 0.00143 -0.02782 0.00607 175 3S -0.31866 -0.17884 0.04049 -0.52239 -0.71986 176 3PX 0.79475 -0.00536 -0.02121 0.13682 0.43201 177 3PY -0.48957 -0.03537 -0.21765 0.11885 0.07415 178 3PZ 0.17951 -0.07579 -0.08979 -0.17345 -0.14291 179 4XX -0.36833 0.02356 -0.07618 -0.06459 -0.12253 180 4YY 0.15005 -0.00778 0.03828 0.06851 0.09914 181 4ZZ 0.19705 0.02040 0.03656 0.02893 0.01763 182 4XY 0.00246 0.02021 0.08031 0.15151 -0.05239 183 4XZ 0.39393 0.02743 0.06709 0.00902 0.11980 184 4YZ -0.41998 0.09103 -0.00765 0.02176 -0.02813 185 15 H 1S 0.01764 0.02897 0.00663 -0.04367 0.02829 186 2S 0.03421 -0.04273 -0.04544 -0.05456 -0.10109 187 16 H 1S 0.04175 -0.04627 -0.06000 0.01463 0.06267 188 2S 0.04741 0.01220 -0.06169 0.02538 0.03152 189 17 C 1S -0.00480 0.01375 0.01346 0.02052 0.00635 190 2S -0.06126 0.04683 0.08364 0.04190 -0.05627 191 2PX -0.04813 0.03547 0.00795 0.01537 -0.00314 192 2PY -0.21799 0.06649 0.00740 0.08403 0.01853 193 2PZ 0.15949 -0.04477 0.00153 -0.03454 0.01408 194 3S 0.33220 -0.42233 -0.43876 -0.24549 0.28505 195 3PX -0.22776 0.19962 0.22919 0.22126 -0.07157 196 3PY -0.75338 0.24660 0.12966 0.24806 -0.05630 197 3PZ 0.61018 -0.10085 -0.09914 -0.29742 0.00829 198 4XX 0.16113 0.02818 -0.05675 -0.13208 0.06128 199 4YY 0.03979 -0.07831 0.05630 0.05688 -0.04138 200 4ZZ -0.19092 0.06051 0.00445 0.11734 0.00867 201 4XY 0.57836 -0.20443 -0.06276 -0.18781 -0.03925 202 4XZ -0.39701 0.06852 0.04527 0.15316 -0.02206 203 4YZ 0.13683 0.03582 0.02311 0.03522 0.08777 204 18 C 1S 0.02541 -0.03489 -0.00332 0.03600 0.02258 205 2S 0.03790 -0.03228 -0.04495 0.13261 0.11547 206 2PX -0.17118 -0.03052 0.02185 0.17946 0.06542 207 2PY -0.06295 0.05744 -0.01524 -0.04161 0.00426 208 2PZ 0.08407 0.01895 -0.01348 -0.09163 -0.03023 209 3S -0.58493 0.99183 0.26125 -0.94004 -0.59979 210 3PX -0.69081 -0.04646 0.16341 0.95103 0.21360 211 3PY -0.41673 0.25067 0.19384 -0.02196 -0.29318 212 3PZ 0.19504 -0.10201 0.08756 -0.14391 -0.06636 213 4XX 0.07688 0.11299 -0.00975 -0.28947 -0.06834 214 4YY -0.16306 -0.09225 0.08024 0.24589 -0.01368 215 4ZZ 0.12340 -0.10482 -0.04248 0.08997 0.09612 216 4XY -0.50386 0.15489 0.03582 0.40957 0.20479 217 4XZ 0.09265 -0.18048 -0.02238 0.14547 0.03446 218 4YZ 0.23067 -0.04702 -0.03552 -0.18800 -0.06467 219 19 H 1S -0.04181 0.01594 0.03302 0.05192 0.02032 220 2S -0.03590 -0.09493 0.07006 0.12245 -0.04692 221 20 H 1S -0.02472 0.03279 -0.00211 0.00956 -0.00510 222 2S -0.01853 -0.00632 0.03572 -0.04507 -0.04441 223 21 H 1S -0.02739 0.02338 0.02318 -0.00829 -0.02189 224 2S -0.02540 -0.03808 -0.00075 0.04548 0.00531 225 22 H 1S -0.00038 -0.03436 0.01211 0.00751 -0.05094 226 2S -0.02651 0.03621 -0.04082 -0.15150 -0.05719 227 23 H 1S 0.04188 -0.06379 -0.00664 0.04389 0.00950 228 2S 0.05060 -0.04335 -0.09098 0.05121 0.04595 229 24 H 1S -0.03374 0.00666 -0.07980 0.05627 -0.02044 230 2S 0.03535 0.03677 -0.03143 0.11897 -0.03991 231 25 H 1S 0.00264 -0.09147 0.01521 0.06057 0.01084 232 2S -0.10740 -0.11736 -0.04534 0.11389 -0.07286 233 26 H 1S 0.03804 -0.04794 0.00228 0.00841 0.02920 234 2S 0.00653 0.02960 0.04600 -0.08572 -0.00591 235 27 H 1S -0.05682 -0.08557 -0.05055 -0.02450 -0.08985 236 2S 0.04117 -0.25360 -0.03423 0.15996 0.07577 237 28 Br 1S -0.00071 -0.00006 -0.00023 -0.00073 0.00007 238 2S 0.00309 -0.00193 -0.00131 0.00563 0.00109 239 3S -0.00073 0.00614 0.00845 -0.00864 -0.00427 240 4S -0.01411 0.00057 -0.01255 -0.01254 0.00221 241 5S -0.00284 0.05514 -0.14969 0.06641 0.01324 242 6S 0.06980 -0.02850 0.37008 -0.09481 -0.05185 243 7PX -0.00119 0.00298 -0.00220 -0.00041 -0.00131 244 7PY -0.00051 -0.00330 -0.00469 0.00046 0.00099 245 7PZ -0.00078 0.00324 -0.00114 0.00028 0.00067 246 8PX 0.00391 -0.01002 0.00743 0.00130 0.00434 247 8PY 0.00163 0.01093 0.01572 -0.00160 -0.00335 248 8PZ 0.00238 -0.01120 0.00402 -0.00119 -0.00214 249 9PX -0.01317 0.04300 -0.03707 -0.00114 -0.01753 250 9PY -0.00535 -0.03870 -0.06688 0.00726 0.01630 251 9PZ -0.00089 0.06479 -0.02462 0.01767 0.00463 252 10PX 0.00184 0.04924 0.05456 -0.02951 0.00711 253 10PY 0.00070 -0.00235 0.04323 -0.00892 -0.00132 254 10PZ -0.01136 0.01172 0.05072 -0.04744 -0.01329 255 11XX -0.00229 -0.00669 -0.00694 0.00269 0.00202 256 11YY -0.00170 -0.00269 0.00061 0.00231 0.00314 257 11ZZ 0.00234 -0.00212 -0.00551 0.00601 0.00217 258 11XY 0.00061 -0.00165 -0.00273 -0.00262 0.00073 259 11XZ 0.00167 -0.00268 -0.00053 0.00424 0.00062 260 11YZ 0.00178 0.00003 -0.00342 0.00134 -0.00034 261 12XX -0.02546 0.05313 -0.06893 -0.00029 0.01826 262 12YY -0.02631 -0.03564 -0.15562 0.01659 0.02327 263 12ZZ -0.04621 0.05599 -0.08300 -0.00268 0.00908 264 12XY -0.00619 0.01909 0.00473 0.02292 -0.01529 265 12XZ -0.01400 0.05910 -0.00275 -0.03566 -0.00830 266 12YZ -0.01040 -0.00503 0.00480 -0.00540 0.01033 267 29 C 1S -0.00962 0.03892 0.01933 -0.03560 -0.01108 268 2S -0.03377 0.15860 0.08565 -0.24070 -0.04004 269 2PX -0.00398 -0.00469 -0.01116 -0.02304 -0.06210 270 2PY -0.00209 0.04968 -0.00942 0.00838 -0.02048 271 2PZ -0.01128 0.05792 0.04944 -0.04456 -0.01773 272 3S 0.19420 -0.92047 -0.44152 0.75876 0.38799 273 3PX -0.12724 -0.07480 0.04586 -0.08611 -0.11692 274 3PY -0.08440 0.28898 0.03044 -0.23322 -0.03652 275 3PZ -0.07345 0.45421 0.27229 -0.38241 -0.14529 276 4XX 0.00402 0.19626 0.08438 -0.11097 -0.03337 277 4YY -0.02089 -0.00846 0.02076 -0.04167 -0.00258 278 4ZZ -0.00541 -0.12973 -0.07863 0.14488 0.01641 279 4XY 0.04098 -0.09541 -0.05613 0.05875 0.08430 280 4XZ 0.00123 -0.01503 0.00777 0.06023 0.08527 281 4YZ 0.07900 -0.23869 -0.10206 0.20794 0.04162 282 30 H 1S -0.01069 -0.01735 -0.00381 0.00506 0.06800 283 2S -0.05437 -0.06539 0.03386 -0.01369 -0.08478 284 31 H 1S 0.03191 -0.01224 0.02452 -0.03367 -0.01656 285 2S -0.03074 -0.01502 -0.08963 0.05599 0.03691 286 32 H 1S -0.02082 0.04233 -0.02244 0.00022 -0.06395 287 2S 0.11694 0.03860 0.04649 0.02364 -0.00944 288 33 H 1S 0.01124 -0.07151 -0.00045 0.01294 -0.02087 289 2S 0.01050 -0.08691 -0.02716 0.01727 0.05650 290 34 H 1S -0.04493 -0.05810 0.00942 -0.02691 -0.00623 291 2S 0.08361 0.14710 0.15873 -0.01293 -0.09074 292 35 H 1S -0.00814 -0.03288 -0.04339 0.00264 -0.07247 293 2S -0.01331 -0.03105 -0.03844 -0.03134 -0.03672 294 36 H 1S 0.01850 0.01829 0.03448 -0.02379 -0.02046 295 2S -0.02440 0.05687 -0.00062 -0.01245 0.09625 296 37 H 1S 0.01629 0.07409 0.03691 0.00323 0.02904 297 2S -0.01958 0.06527 0.02513 -0.07022 0.01027 298 38 H 1S -0.00602 -0.01330 -0.01080 0.00270 0.05347 299 2S 0.09819 0.00543 -0.04778 0.11187 0.02191 300 39 H 1S -0.02261 -0.03462 -0.00783 -0.01990 -0.02879 301 2S -0.05460 0.03279 0.03576 -0.11691 0.00057 302 40 H 1S 0.06828 0.04061 -0.04583 0.04054 -0.02064 303 2S 0.00595 0.02835 -0.05808 0.10520 -0.03491 286 287 288 289 290 V V V V V Eigenvalues -- 2.83664 3.95325 4.03291 4.06559 4.10601 1 1 C 1S 0.01220 -0.17531 0.16863 -0.08787 0.15139 2 2S -0.13179 1.11755 -0.85822 0.43371 -0.70360 3 2PX -0.16118 0.01903 0.02049 0.00075 0.03002 4 2PY 0.03824 0.00428 -0.01801 -0.02518 0.00565 5 2PZ 0.00962 -0.00930 0.01740 0.00427 0.00676 6 3S -0.54640 0.24988 -0.95615 0.41908 -1.01071 7 3PX -0.36450 -0.10904 -0.16933 0.01486 -0.18340 8 3PY 0.13465 0.08946 0.06687 0.03385 0.09905 9 3PZ -0.01283 0.05121 0.01059 0.03231 -0.03040 10 4XX -0.20994 -0.62404 0.60280 -0.27933 0.54198 11 4YY 0.15068 -0.71906 0.61765 -0.32179 0.52671 12 4ZZ 0.10720 -0.65640 0.56996 -0.31496 0.51533 13 4XY 0.12432 -0.02269 0.02637 -0.03828 0.04001 14 4XZ 0.04923 0.00285 -0.02256 0.01261 -0.02880 15 4YZ -0.08200 -0.01036 0.05564 -0.00176 0.04366 16 2 C 1S 0.00117 -0.14105 0.21698 -0.04762 0.17661 17 2S -0.01250 0.79359 -1.22488 0.33028 -0.98181 18 2PX -0.01456 0.01980 -0.00171 -0.00784 0.02341 19 2PY 0.02798 0.00236 -0.00549 -0.01857 0.01774 20 2PZ -0.01532 0.02071 0.00419 0.01253 -0.00377 21 3S -0.08855 0.42697 -0.78422 0.11349 -0.80867 22 3PX 0.00399 -0.00785 0.05601 -0.05171 -0.01003 23 3PY 0.08916 -0.04319 -0.04408 0.02273 -0.07003 24 3PZ -0.11275 -0.00691 0.00271 -0.05399 0.03781 25 4XX -0.01614 -0.52918 0.81075 -0.21346 0.66994 26 4YY 0.05914 -0.48140 0.78046 -0.20908 0.67879 27 4ZZ -0.02885 -0.48924 0.80206 -0.17158 0.64620 28 4XY 0.08274 0.02372 -0.02933 -0.03294 0.02720 29 4XZ -0.07624 0.04580 -0.01770 0.01503 -0.01839 30 4YZ -0.00993 -0.05503 0.05668 -0.00519 0.02456 31 3 C 1S -0.01385 -0.14219 0.16780 0.06106 -0.00699 32 2S -0.03022 0.86417 -0.93218 -0.36320 0.02593 33 2PX 0.08116 0.02592 0.02492 -0.02550 0.05440 34 2PY 0.01366 -0.02226 0.02147 -0.02312 0.02824 35 2PZ -0.01317 0.01202 -0.00881 0.00581 -0.01282 36 3S 0.34052 0.44466 -0.61404 -0.20905 0.10751 37 3PX 0.25401 -0.06042 -0.10203 0.02309 -0.09819 38 3PY -0.10202 0.01239 -0.06665 0.00463 -0.08912 39 3PZ -0.02220 -0.08717 0.06081 0.01732 0.05580 40 4XX 0.09606 -0.48085 0.58235 0.19946 0.02367 41 4YY -0.07807 -0.51314 0.57941 0.26347 -0.07967 42 4ZZ -0.05682 -0.57477 0.65887 0.24346 -0.02460 43 4XY -0.13830 0.01496 -0.03872 0.03154 -0.07338 44 4XZ 0.01007 -0.03292 0.02903 -0.00015 0.00838 45 4YZ 0.00940 0.00533 0.01644 -0.00163 0.01988 46 4 C 1S -0.00147 -0.12984 0.08909 0.10443 -0.13377 47 2S 0.00353 0.89827 -0.46798 -0.54071 0.80029 48 2PX 0.03639 -0.02249 0.03850 -0.00766 0.02347 49 2PY -0.02385 -0.00447 -0.00211 -0.01521 0.01058 50 2PZ 0.06058 0.00521 -0.00441 0.00248 -0.00329 51 3S -0.11163 0.08176 -0.38096 -0.47021 0.47678 52 3PX 0.39799 0.02415 -0.15451 -0.04450 -0.08072 53 3PY 0.10194 0.21420 0.09680 0.10585 -0.00777 54 3PZ 0.15763 -0.05528 -0.03025 0.03112 -0.10552 55 4XX -0.14088 -0.47361 0.27531 0.35176 -0.52258 56 4YY -0.04056 -0.54825 0.33596 0.37488 -0.50469 57 4ZZ 0.19861 -0.50177 0.32493 0.39842 -0.52957 58 4XY -0.00974 -0.03101 0.04471 0.01549 0.00321 59 4XZ 0.22339 0.01211 0.02075 -0.01041 0.00801 60 4YZ -0.08011 -0.00924 0.00381 0.03317 -0.04250 61 5 C 1S -0.06169 -0.15147 0.01205 0.07442 -0.12938 62 2S -0.48958 0.52536 -0.02473 -0.18658 0.21439 63 2PX -0.01114 -0.01700 0.05499 -0.03295 0.00315 64 2PY -0.12250 -0.01280 -0.02294 -0.05067 0.01801 65 2PZ 0.03972 0.02411 0.02441 0.03010 -0.00482 66 3S 3.04933 1.36872 -0.00687 -0.60955 1.49344 67 3PX 0.77654 -0.16274 -0.34612 0.31368 0.03544 68 3PY -1.92071 -0.38715 -0.12446 0.18572 -0.30028 69 3PZ -0.28683 -0.10262 -0.13041 -0.26800 0.16630 70 4XX 0.54823 -0.44110 0.02347 0.22856 -0.37105 71 4YY -0.20030 -0.42584 0.05181 0.22994 -0.32680 72 4ZZ -0.27968 -0.43349 0.01365 0.18071 -0.28996 73 4XY 0.16667 0.01511 -0.02030 0.01784 -0.02535 74 4XZ -0.43069 -0.01372 -0.02645 -0.01985 0.01264 75 4YZ 0.01363 -0.00995 0.00156 -0.04993 0.04355 76 6 C 1S 0.05529 -0.15892 0.04438 -0.10074 0.02548 77 2S 0.35113 0.96500 -0.23454 0.37330 0.00748 78 2PX -0.12302 0.00356 0.08499 -0.00303 0.07394 79 2PY 0.04286 0.02177 -0.04850 -0.05388 0.01366 80 2PZ -0.01241 0.01417 0.02559 0.06655 -0.01866 81 3S -2.67384 -0.10984 -0.39770 0.38267 -0.40543 82 3PX -2.00375 -0.50661 -0.50153 0.11240 -0.66088 83 3PY 0.38868 -0.35776 0.17843 0.49926 -0.29570 84 3PZ 0.35321 0.17316 -0.01319 -0.29754 0.13638 85 4XX 0.42369 -0.55770 0.09741 -0.33822 0.00932 86 4YY -0.61265 -0.58141 0.20733 -0.25957 0.07412 87 4ZZ 0.14217 -0.60066 0.18802 -0.33745 0.08223 88 4XY -0.14286 -0.02334 -0.02765 -0.05620 0.01322 89 4XZ -0.03386 -0.01242 0.04549 0.02650 -0.00395 90 4YZ 0.28535 0.01557 -0.03691 -0.00804 -0.03929 91 7 C 1S -0.07325 -0.15993 -0.14024 -0.24834 -0.00763 92 2S -0.23759 0.81068 0.60740 1.14159 0.01351 93 2PX -0.03941 -0.00496 0.05726 -0.00118 0.01171 94 2PY 0.16709 0.02769 -0.04334 -0.03309 0.00339 95 2PZ 0.01161 0.02701 0.03178 0.04368 -0.00814 96 3S 2.68478 0.66775 0.99129 1.51859 0.11287 97 3PX 0.87574 0.28595 0.03830 -0.08017 0.15293 98 3PY 0.88584 0.03115 0.24339 0.22161 0.03193 99 3PZ -0.57664 -0.29057 -0.21560 -0.28867 -0.00214 100 4XX 0.15854 -0.54740 -0.38657 -0.83087 -0.02092 101 4YY 0.03269 -0.53295 -0.53887 -0.89171 -0.01814 102 4ZZ -0.26363 -0.55783 -0.49383 -0.86738 -0.02224 103 4XY -0.42412 -0.05070 -0.00006 -0.03440 0.02238 104 4XZ 0.23856 0.05010 0.02507 0.04571 -0.00815 105 4YZ -0.14530 0.00017 0.01407 0.00671 -0.00500 106 8 C 1S 0.05140 -0.14534 -0.22087 -0.18984 -0.03386 107 2S 0.18573 0.93766 1.36188 1.08808 0.12341 108 2PX 0.12320 -0.01100 0.01187 -0.04092 0.00268 109 2PY -0.03661 0.00019 -0.01258 -0.01231 -0.00443 110 2PZ 0.02264 -0.01070 -0.00259 0.01643 -0.00172 111 3S -2.07527 0.03865 0.43753 0.67181 0.17461 112 3PX 0.29650 0.03331 -0.01661 0.13415 0.09388 113 3PY -0.35199 -0.01321 -0.11544 -0.13639 0.10525 114 3PZ 0.51022 0.28100 0.24633 0.04161 0.00722 115 4XX -0.32483 -0.52072 -0.83162 -0.62687 -0.11091 116 4YY 0.18339 -0.56648 -0.84892 -0.76611 -0.08765 117 4ZZ 0.18941 -0.57993 -0.88009 -0.74638 -0.12595 118 4XY -0.15725 0.01868 0.03517 -0.03886 0.01326 119 4XZ -0.01271 0.00666 0.00222 0.00967 -0.01445 120 4YZ -0.01269 -0.01135 -0.01148 0.01268 -0.01253 121 9 C 1S -0.02671 -0.11825 -0.15058 0.00300 -0.04810 122 2S -0.23206 0.57973 0.68119 -0.16286 0.25399 123 2PX -0.08601 -0.03539 0.00232 -0.05908 -0.05212 124 2PY 0.03202 0.02514 -0.00906 -0.04497 0.02526 125 2PZ 0.02895 0.01971 0.01618 0.02717 0.01640 126 3S 1.47715 0.68980 0.82056 0.34623 0.30450 127 3PX -0.25836 0.05364 -0.12404 0.03457 0.26536 128 3PY -0.42432 -0.32767 -0.20596 0.18288 0.00489 129 3PZ -0.29684 -0.30264 -0.20064 -0.07167 -0.12235 130 4XX -0.16195 -0.38002 -0.47088 0.04043 -0.20444 131 4YY 0.12451 -0.38535 -0.48759 0.07973 -0.15659 132 4ZZ 0.08464 -0.40378 -0.52109 0.03860 -0.18511 133 4XY 0.05793 -0.00295 0.02344 0.09942 0.01246 134 4XZ -0.03242 -0.01356 -0.03986 -0.01538 0.02566 135 4YZ -0.16944 -0.04326 -0.04610 -0.03293 -0.03672 136 10 C 1S 0.04480 -0.11767 -0.07790 0.05750 -0.07648 137 2S 0.33878 0.81823 0.40738 -0.24563 0.47855 138 2PX 0.09015 -0.02035 0.02509 -0.03046 -0.03174 139 2PY 0.04337 -0.02502 -0.04900 -0.04276 0.00849 140 2PZ -0.07198 0.00359 0.00036 0.02417 0.02391 141 3S -2.28731 -0.08463 0.31140 -0.31128 0.00103 142 3PX 1.34362 0.33145 -0.07825 0.15962 0.23272 143 3PY -0.03695 0.31985 0.46174 0.21998 -0.15645 144 3PZ -0.55097 0.02428 0.08323 -0.18979 -0.22156 145 4XX -0.19572 -0.44293 -0.26986 0.16216 -0.29010 146 4YY 0.09287 -0.45763 -0.26560 0.17616 -0.30551 147 4ZZ 0.07405 -0.46996 -0.27149 0.21305 -0.31401 148 4XY 0.57953 0.00629 0.00733 -0.03015 -0.02426 149 4XZ -0.03956 -0.00660 0.00759 0.00327 -0.00690 150 4YZ -0.16386 -0.03134 -0.03869 0.03460 -0.01446 151 11 C 1S -0.00244 -0.09424 -0.07614 0.12249 0.03819 152 2S -0.14238 0.62383 0.51314 -0.62393 -0.22891 153 2PX 0.11269 -0.01183 0.02027 -0.02773 -0.04990 154 2PY 0.06836 -0.00999 -0.01285 0.00384 0.00753 155 2PZ -0.04758 0.00605 0.00307 0.00585 0.02172 156 3S 0.41253 0.05906 -0.04025 -0.60480 -0.03927 157 3PX 0.26132 0.09292 0.01657 0.15184 0.11122 158 3PY 0.04127 0.08134 0.11430 0.06495 -0.03865 159 3PZ -0.11721 -0.11053 -0.10623 0.01402 -0.02329 160 4XX 0.09676 -0.34532 -0.28868 0.38612 0.11901 161 4YY -0.13152 -0.35124 -0.28289 0.43397 0.14809 162 4ZZ 0.06481 -0.38595 -0.32165 0.45879 0.15768 163 4XY -0.33275 0.02833 0.01014 0.02419 0.05005 164 4XZ -0.03697 -0.01655 -0.01661 0.04642 0.02074 165 4YZ 0.12565 0.00863 0.01398 -0.01929 -0.03933 166 12 H 1S -0.03658 0.04152 0.04132 -0.02980 -0.02961 167 2S -0.04434 -0.08296 -0.13426 0.14412 0.09394 168 13 H 1S -0.02481 0.04819 0.04552 -0.03759 -0.01777 169 2S -0.03399 -0.04764 -0.04361 0.07465 0.07304 170 14 C 1S 0.02290 -0.05725 -0.09181 0.18843 0.18157 171 2S 0.06849 0.35633 0.48710 -1.10976 -0.96165 172 2PX 0.07402 -0.01788 -0.00047 -0.01050 -0.02907 173 2PY -0.05123 0.01270 0.00272 0.00543 0.01551 174 2PZ -0.00852 0.01146 0.01568 -0.00077 -0.00643 175 3S -0.54808 0.09544 0.34705 -0.58544 -0.78570 176 3PX 0.36520 0.04067 -0.05161 -0.02030 0.10115 177 3PY -0.06423 -0.03495 -0.02669 -0.06029 -0.04675 178 3PZ -0.12777 -0.02383 0.00137 0.01941 0.02153 179 4XX -0.13550 -0.20070 -0.31509 0.70329 0.65902 180 4YY 0.10870 -0.22136 -0.33560 0.71267 0.66164 181 4ZZ 0.06980 -0.20427 -0.30701 0.69733 0.64285 182 4XY 0.08063 -0.03873 -0.05055 0.05212 0.04189 183 4XZ 0.14163 -0.00679 0.00209 -0.00620 -0.02484 184 4YZ -0.08379 0.00632 -0.01311 0.02184 0.05046 185 15 H 1S -0.01354 0.03820 0.04599 -0.06906 -0.05275 186 2S -0.03500 -0.06074 -0.07797 0.18779 0.16535 187 16 H 1S 0.01918 0.02014 0.01899 -0.06978 -0.05570 188 2S 0.01540 -0.05714 -0.09238 0.15616 0.21014 189 17 C 1S -0.00390 -0.04795 -0.12132 0.16880 0.22165 190 2S -0.02008 0.27694 0.70714 -0.92094 -1.20329 191 2PX -0.02873 -0.02009 -0.00828 0.00371 -0.01564 192 2PY -0.02814 -0.01245 -0.02004 -0.01279 -0.00431 193 2PZ 0.02741 0.00113 0.00185 0.01579 0.01230 194 3S 0.31414 0.16855 0.33726 -0.63557 -0.90378 195 3PX -0.12823 -0.02266 0.01301 0.00342 0.00462 196 3PY -0.13113 0.01093 0.04857 0.03531 0.02330 197 3PZ 0.07545 0.00448 0.01337 -0.00232 -0.05135 198 4XX 0.01838 -0.17112 -0.44857 0.61285 0.81340 199 4YY -0.00321 -0.16037 -0.43094 0.59587 0.79985 200 4ZZ -0.02317 -0.16943 -0.45219 0.60910 0.81667 201 4XY 0.09738 0.03168 0.04102 -0.00662 -0.00089 202 4XZ -0.04294 0.01471 0.00893 -0.03034 -0.01455 203 4YZ 0.03576 -0.02249 -0.03858 0.06403 0.05562 204 18 C 1S 0.01961 -0.05603 -0.12363 0.12100 0.11605 205 2S 0.10111 0.46266 0.76135 -0.68027 -0.58869 206 2PX -0.00764 -0.00422 -0.00167 -0.02354 -0.04366 207 2PY 0.00436 0.01151 0.00947 -0.01468 -0.01464 208 2PZ 0.00306 -0.00411 -0.00055 0.01611 0.01582 209 3S -0.80146 -0.27044 0.20877 -0.45902 -0.59732 210 3PX 0.16638 0.22293 0.13996 0.06817 0.21465 211 3PY -0.22111 -0.09537 -0.00889 0.03822 0.00491 212 3PZ 0.10335 0.04095 0.01901 -0.07519 -0.06599 213 4XX -0.02697 -0.24012 -0.44764 0.43712 0.40305 214 4YY 0.00684 -0.23237 -0.45394 0.41939 0.38611 215 4ZZ 0.06584 -0.23577 -0.48546 0.47533 0.43984 216 4XY -0.05203 -0.01057 -0.00894 -0.04886 -0.06139 217 4XZ -0.04520 -0.02455 -0.03886 0.02788 0.01956 218 4YZ 0.10599 0.02674 0.01866 0.01118 0.02271 219 19 H 1S 0.00820 0.04204 0.05242 -0.04833 -0.02236 220 2S 0.06532 0.00713 -0.06584 0.13120 0.12522 221 20 H 1S 0.05830 0.04167 0.05618 -0.03679 -0.02966 222 2S -0.08769 -0.10445 -0.13531 0.14377 0.10313 223 21 H 1S -0.03330 0.00749 0.03408 -0.06160 -0.06763 224 2S 0.02522 -0.03402 -0.11323 0.17100 0.24585 225 22 H 1S 0.00128 0.03355 0.06208 -0.05739 -0.06470 226 2S -0.05121 -0.05964 -0.10728 0.16614 0.19021 227 23 H 1S 0.10807 0.12432 0.08488 -0.02381 0.02785 228 2S 0.00322 0.01840 0.01374 0.11350 -0.18931 229 24 H 1S 0.02086 0.08649 0.07839 -0.04639 0.01858 230 2S 0.06512 0.02936 -0.06417 -0.04796 -0.04153 231 25 H 1S 0.03563 0.09217 0.09597 0.04686 0.00466 232 2S 0.14274 -0.07135 -0.17276 -0.23666 0.01250 233 26 H 1S -0.00341 0.03568 0.07159 0.07204 0.00191 234 2S -0.00550 -0.18579 -0.28434 -0.21266 -0.04075 235 27 H 1S 0.14602 0.10092 0.04677 0.07419 -0.00402 236 2S 0.18374 -0.01597 -0.07462 -0.16909 0.02651 237 28 Br 1S 0.00070 0.00083 0.00021 0.00088 0.00014 238 2S -0.00446 -0.00521 0.00010 -0.00557 -0.00132 239 3S 0.00583 0.00785 -0.00244 0.00821 0.00250 240 4S 0.01008 0.00946 0.00243 0.01097 0.00224 241 5S -0.16355 0.13422 0.02220 0.21544 -0.02309 242 6S 0.24809 -0.43871 -0.13791 -0.65680 0.04094 243 7PX -0.00270 -0.00030 -0.00032 -0.00035 0.00063 244 7PY 0.00274 0.00003 -0.00012 -0.00086 -0.00005 245 7PZ -0.00312 -0.00113 -0.00141 -0.00203 0.00028 246 8PX 0.00927 0.00115 0.00114 0.00130 -0.00210 247 8PY -0.00885 0.00002 0.00052 0.00293 0.00026 248 8PZ 0.01094 0.00416 0.00505 0.00734 -0.00089 249 9PX -0.04984 -0.00803 -0.00560 -0.00306 0.00715 250 9PY 0.01638 0.00248 -0.00676 -0.00493 -0.00677 251 9PZ -0.06988 -0.01923 -0.03036 -0.03455 0.00249 252 10PX 0.00196 -0.03640 -0.03046 -0.09674 0.01056 253 10PY 0.10085 -0.08534 -0.00251 -0.11461 0.02933 254 10PZ 0.03164 -0.16800 -0.06796 -0.21929 -0.00527 255 11XX 0.00245 -0.00155 0.00357 -0.00170 0.00027 256 11YY -0.00626 -0.00161 -0.00013 -0.00147 -0.00309 257 11ZZ -0.00168 -0.00236 0.00254 -0.00290 -0.00032 258 11XY -0.00583 -0.00245 0.00046 0.00023 -0.00093 259 11XZ 0.00009 0.00123 0.00287 0.00383 0.00120 260 11YZ -0.00592 0.00296 -0.00146 0.00225 -0.00066 261 12XX -0.09235 0.07260 0.00501 0.10797 -0.01335 262 12YY 0.03078 0.06705 0.03622 0.09456 0.01286 263 12ZZ -0.09381 0.02328 -0.02562 0.03674 -0.01074 264 12XY 0.03405 0.01306 -0.00338 -0.01404 0.01411 265 12XZ -0.04029 -0.02810 -0.03303 -0.05668 -0.00373 266 12YZ 0.04806 -0.04824 -0.00060 -0.04973 0.00401 267 29 C 1S -0.01959 -0.11171 0.02241 0.17309 -0.26414 268 2S -0.17489 0.73832 -0.18531 -1.06487 1.54159 269 2PX -0.02500 -0.00109 0.02020 -0.01471 0.01060 270 2PY 0.01960 -0.00719 -0.01373 -0.02391 0.03034 271 2PZ -0.02723 -0.01548 -0.00727 -0.01055 0.02880 272 3S 0.55851 0.34124 0.08810 -0.61343 1.06254 273 3PX -0.08647 0.01113 -0.06029 0.00204 -0.03621 274 3PY -0.12136 0.04870 -0.02029 -0.04916 0.07915 275 3PZ -0.26684 0.06131 -0.06412 -0.09101 0.12478 276 4XX -0.10948 -0.46091 0.08678 0.68534 -1.01984 277 4YY -0.03960 -0.43527 0.11503 0.68157 -1.01445 278 4ZZ 0.16990 -0.41406 0.10009 0.66555 -1.01693 279 4XY 0.02308 0.01041 -0.00774 -0.00870 0.01396 280 4XZ 0.06987 0.00282 -0.00684 0.01007 -0.00366 281 4YZ 0.05164 0.02139 0.00459 0.00110 0.00967 282 30 H 1S 0.04336 0.05590 -0.02506 -0.06461 0.08763 283 2S -0.04922 -0.09984 -0.04586 0.20210 -0.34221 284 31 H 1S -0.07801 0.05148 -0.00447 -0.04373 0.08033 285 2S 0.04053 -0.10421 0.03869 0.16287 -0.26690 286 32 H 1S 0.00566 0.04389 -0.01068 -0.06026 0.07911 287 2S 0.03288 -0.08511 0.03400 0.14066 -0.24276 288 33 H 1S -0.01651 0.08122 -0.02068 -0.03049 0.05377 289 2S 0.06594 -0.05421 0.09408 0.15819 -0.18978 290 34 H 1S 0.01660 0.06030 -0.03739 -0.02691 0.04791 291 2S -0.08470 -0.15845 0.13600 0.04195 -0.09141 292 35 H 1S 0.00122 0.06129 -0.06438 -0.02648 -0.01156 293 2S 0.01203 -0.09160 0.17584 0.03074 0.04519 294 36 H 1S -0.00916 0.05701 -0.05542 -0.01629 -0.00080 295 2S 0.02899 -0.19739 0.17593 0.05667 0.00311 296 37 H 1S 0.00778 0.04326 -0.08807 0.01350 -0.05342 297 2S -0.02624 -0.13627 0.22157 -0.04309 0.18792 298 38 H 1S 0.01176 0.06956 -0.06626 0.02038 -0.04033 299 2S 0.00967 -0.14514 0.21879 -0.05740 0.16018 300 39 H 1S -0.01010 0.06656 -0.05206 0.01229 -0.03660 301 2S -0.01379 -0.16327 0.18541 -0.13107 0.22249 302 40 H 1S -0.06478 0.08669 -0.03880 0.03357 -0.02356 303 2S 0.02138 -0.13530 0.17437 -0.05419 0.15698 291 292 293 294 295 V V V V V Eigenvalues -- 4.13545 4.16587 4.24372 4.26978 4.33962 1 1 C 1S 0.15722 -0.19035 0.04157 0.02381 0.11935 2 2S -0.82608 0.94092 -0.17633 -0.10062 -0.43639 3 2PX -0.02247 -0.01434 0.05592 -0.02601 0.00360 4 2PY 0.03259 -0.01237 -0.02135 0.01795 0.01512 5 2PZ -0.04052 0.02950 0.00608 -0.00519 -0.00884 6 3S -0.80850 1.23829 -0.42747 -0.16342 -1.31185 7 3PX 0.03922 0.12161 -0.20397 0.10219 -0.16509 8 3PY -0.20903 0.01290 0.20707 -0.12049 -0.11689 9 3PZ 0.07339 -0.03678 -0.08027 0.11640 0.16669 10 4XX 0.51691 -0.68041 0.24602 0.02950 0.39363 11 4YY 0.61138 -0.69688 0.11019 0.09768 0.40482 12 4ZZ 0.62362 -0.72043 0.11561 0.10574 0.42151 13 4XY -0.02688 0.01853 0.00247 0.00170 -0.02121 14 4XZ 0.03270 -0.01138 -0.05392 0.04802 0.05087 15 4YZ -0.01573 -0.00884 0.05357 -0.02005 -0.00602 16 2 C 1S -0.08863 -0.00472 0.18613 -0.09566 -0.06587 17 2S 0.47921 -0.00678 -0.84955 0.41668 0.25267 18 2PX -0.00199 -0.00964 0.05214 -0.02511 -0.02087 19 2PY 0.04441 -0.04295 0.00263 0.00782 0.01664 20 2PZ -0.03432 0.02702 0.00562 -0.00763 -0.00397 21 3S 0.43033 0.06745 -1.24966 0.68166 0.55135 22 3PX -0.01161 0.03446 -0.18449 0.07076 0.08673 23 3PY -0.16079 0.17447 0.01086 -0.06121 -0.16706 24 3PZ 0.11310 -0.07279 0.00802 0.04452 0.07293 25 4XX -0.31475 -0.01577 0.64073 -0.32047 -0.20798 26 4YY -0.28930 -0.04996 0.68939 -0.33690 -0.20518 27 4ZZ -0.38273 0.03685 0.68119 -0.36115 -0.26718 28 4XY 0.07893 -0.06847 0.01297 0.01110 0.03940 29 4XZ -0.04924 0.04801 -0.00346 -0.00621 -0.02200 30 4YZ 0.01342 -0.02785 0.00688 -0.00202 0.01657 31 3 C 1S -0.23136 0.17099 0.01748 -0.06517 -0.13053 32 2S 1.16726 -0.85861 -0.10308 0.28671 0.62243 33 2PX -0.00194 -0.00768 0.04772 -0.02653 -0.02848 34 2PY 0.02638 -0.02697 -0.00087 0.01006 0.03121 35 2PZ -0.02543 0.02880 -0.00581 0.00462 -0.00935 36 3S 1.13374 -0.91664 -0.01085 0.52288 1.06307 37 3PX 0.00414 0.06963 -0.17400 0.20280 0.17594 38 3PY -0.05918 0.06746 -0.07958 0.00060 -0.07653 39 3PZ 0.09648 -0.10098 0.02245 0.00278 0.06388 40 4XX -0.79414 0.59301 0.12444 -0.25611 -0.55340 41 4YY -0.84004 0.64138 0.02096 -0.21205 -0.45650 42 4ZZ -0.87050 0.63295 0.06991 -0.23228 -0.46356 43 4XY -0.01458 0.03392 -0.08545 0.03963 0.03697 44 4XZ -0.01762 0.01469 -0.01317 0.02406 0.03714 45 4YZ -0.01412 0.00230 0.03768 -0.02666 -0.01920 46 4 C 1S -0.15848 0.14513 -0.19671 0.10275 0.19646 47 2S 0.83695 -0.67631 0.97794 -0.46848 -0.89136 48 2PX -0.03926 0.01776 0.01735 -0.03469 -0.03297 49 2PY 0.02633 -0.02068 0.00173 0.01926 -0.00658 50 2PZ -0.03024 0.02840 -0.02345 0.03409 0.04163 51 3S 0.55698 -0.80640 1.18283 -0.69657 -1.47963 52 3PX 0.08472 -0.13825 -0.00999 0.15836 0.11888 53 3PY 0.02229 0.01241 0.00522 -0.12626 0.05403 54 3PZ -0.00205 -0.12022 0.00311 -0.13616 -0.07975 55 4XX -0.52448 0.46909 -0.75502 0.40539 0.76620 56 4YY -0.61048 0.53923 -0.71184 0.36185 0.69948 57 4ZZ -0.61655 0.52909 -0.71431 0.34166 0.69235 58 4XY -0.01241 0.01130 -0.01050 -0.00691 -0.01214 59 4XZ -0.04273 0.01525 0.01048 -0.02938 -0.01085 60 4YZ 0.01305 -0.01351 -0.01739 0.01043 0.00434 61 5 C 1S 0.04674 -0.02640 -0.12210 0.08496 0.04779 62 2S -0.13521 0.09594 0.44378 -0.45877 -0.28059 63 2PX -0.00936 -0.00504 -0.04952 -0.01889 0.00916 64 2PY 0.02209 -0.02708 -0.03054 0.01366 -0.00831 65 2PZ -0.00007 0.02812 -0.01569 0.01941 0.01014 66 3S -0.36370 0.05853 1.02718 -0.20139 0.08188 67 3PX 0.14670 -0.03566 0.27384 0.18797 0.15902 68 3PY 0.02403 0.30480 -0.04004 -0.18021 -0.24443 69 3PZ -0.29805 -0.05083 0.27882 -0.15194 -0.17455 70 4XX 0.11661 -0.09813 -0.44940 0.24388 0.21084 71 4YY 0.13590 -0.09389 -0.35112 0.32670 0.19425 72 4ZZ 0.14085 -0.06551 -0.37830 0.38676 0.17456 73 4XY -0.07517 0.05170 0.05525 0.01713 -0.04626 74 4XZ 0.07237 -0.02073 0.02077 0.03930 -0.04124 75 4YZ -0.04865 0.07393 -0.10266 0.08858 0.08685 76 6 C 1S 0.16027 -0.07533 -0.20312 0.12864 0.07101 77 2S -0.75596 0.31032 0.91745 -0.53485 -0.34899 78 2PX 0.02336 -0.05481 0.03481 -0.00395 0.04956 79 2PY -0.00553 0.03131 0.01550 -0.01564 -0.04052 80 2PZ -0.02402 0.00896 0.02180 0.02959 0.04434 81 3S -0.48647 0.48805 0.71750 -0.96920 -0.96496 82 3PX 0.10166 0.40675 -0.46291 -0.10645 -0.75445 83 3PY 0.32265 -0.15535 -0.04557 0.13250 0.54068 84 3PZ 0.10054 -0.12299 -0.08522 -0.18962 -0.16629 85 4XX 0.54193 -0.16229 -0.79658 0.45724 0.19391 86 4YY 0.60263 -0.34228 -0.67687 0.46604 0.40102 87 4ZZ 0.56984 -0.27332 -0.71698 0.45563 0.26977 88 4XY 0.02066 0.01063 0.01879 -0.07591 -0.04846 89 4XZ 0.01229 -0.04264 -0.00607 0.00146 0.05898 90 4YZ 0.02320 0.00453 -0.02275 -0.03844 -0.08697 91 7 C 1S 0.05506 0.11566 -0.18130 -0.06949 -0.31017 92 2S -0.29981 -0.57635 0.70571 0.19266 1.32573 93 2PX 0.05452 0.00150 -0.07543 0.01705 -0.06236 94 2PY -0.03101 0.03303 0.00675 -0.05437 -0.06139 95 2PZ 0.01526 -0.01261 0.04064 0.02629 0.06080 96 3S -0.19646 -0.84585 1.35143 0.63892 3.18269 97 3PX -0.15463 0.00485 0.35835 -0.06194 0.36616 98 3PY 0.09208 -0.16074 0.17959 0.24189 0.51890 99 3PZ -0.00537 0.10430 -0.32505 -0.09769 -0.41675 100 4XX 0.29865 0.44907 -0.71408 -0.13155 -1.25251 101 4YY 0.13469 0.45905 -0.53479 -0.28626 -1.12790 102 4ZZ 0.18481 0.42103 -0.59803 -0.24237 -1.06653 103 4XY 0.01557 -0.04436 -0.02080 0.01856 0.08350 104 4XZ -0.00777 0.01767 0.02038 0.01542 -0.02840 105 4YZ 0.01611 -0.00735 -0.03642 0.01992 0.02349 106 8 C 1S -0.11789 0.02093 0.09507 -0.19759 0.23413 107 2S 0.66880 -0.08037 -0.39842 0.98121 -1.03497 108 2PX 0.04066 0.02939 -0.04793 0.00637 -0.05606 109 2PY -0.00875 0.00310 0.00774 -0.04326 0.01876 110 2PZ 0.00533 -0.00655 0.00927 0.03361 -0.02956 111 3S 0.54946 -0.11408 -0.92300 1.31279 -2.44688 112 3PX -0.10449 -0.05696 0.19798 0.10567 0.23669 113 3PY -0.03759 0.06395 -0.12594 0.05822 -0.26731 114 3PZ 0.01964 0.01944 0.07727 -0.08346 0.31449 115 4XX -0.49202 0.00767 0.41031 -0.74220 1.00558 116 4YY -0.42476 0.10021 0.26659 -0.75122 0.78369 117 4ZZ -0.44975 0.09654 0.33463 -0.74597 0.80626 118 4XY 0.04482 0.04908 -0.06206 -0.04991 -0.01007 119 4XZ -0.01707 -0.00552 0.03666 0.01842 0.02988 120 4YZ -0.02514 -0.02436 0.03308 0.01245 0.02181 121 9 C 1S -0.12936 -0.11719 0.17829 0.13154 0.06209 122 2S 0.58602 0.48684 -0.91108 -0.67359 -0.42490 123 2PX 0.03132 0.02846 -0.00781 -0.03265 0.01709 124 2PY -0.03980 -0.01369 -0.01266 -0.02836 0.02761 125 2PZ 0.01073 0.01288 -0.00783 0.01506 -0.02743 126 3S 0.58581 0.77321 -0.63095 -0.52277 -0.03270 127 3PX -0.11594 -0.08313 -0.13380 0.19261 -0.43334 128 3PY 0.10911 0.15509 0.01414 0.23524 -0.22938 129 3PZ 0.01696 -0.14246 -0.02045 -0.11246 0.08582 130 4XX -0.40612 -0.34672 0.68590 0.48343 0.30062 131 4YY -0.44386 -0.40377 0.65189 0.53192 0.24380 132 4ZZ -0.49061 -0.43447 0.66005 0.45139 0.28763 133 4XY 0.00633 -0.06458 0.00024 0.09956 -0.10222 134 4XZ -0.04959 -0.04346 -0.02625 -0.05198 0.02698 135 4YZ 0.00069 0.01849 0.05349 0.00564 0.00459 136 10 C 1S 0.06484 0.04854 0.15979 0.20600 -0.15808 137 2S -0.31695 -0.19744 -0.62241 -0.85968 0.94415 138 2PX -0.00211 -0.01133 -0.04899 0.00388 -0.00773 139 2PY -0.03637 -0.03230 -0.00120 0.02606 -0.02533 140 2PZ 0.01154 0.04890 0.01173 0.04367 0.00087 141 3S -0.36469 -0.25042 -1.03058 -1.24392 0.66983 142 3PX 0.07506 -0.08324 0.28168 0.06601 0.21420 143 3PY 0.10623 0.18880 0.02641 -0.21191 0.08845 144 3PZ 0.02664 -0.26191 -0.12703 -0.20831 -0.20815 145 4XX 0.20267 0.16031 0.56861 0.68970 -0.67239 146 4YY 0.21599 0.12975 0.50123 0.71012 -0.64289 147 4ZZ 0.26995 0.19286 0.53009 0.72254 -0.64286 148 4XY -0.04715 -0.06386 -0.03700 0.01276 0.03356 149 4XZ 0.02917 0.03079 -0.01399 0.00027 0.02241 150 4YZ -0.00140 -0.00081 0.08988 0.02203 0.02621 151 11 C 1S 0.18485 0.21127 0.18882 0.08607 0.03856 152 2S -0.95123 -1.05383 -0.96291 -0.43687 -0.27824 153 2PX -0.00777 -0.00163 0.02020 0.04103 -0.00663 154 2PY -0.01445 -0.02577 -0.02214 -0.00943 -0.01728 155 2PZ 0.00997 0.02734 -0.01403 -0.00191 0.00371 156 3S -0.87838 -1.09104 -1.05021 -0.41809 -0.26367 157 3PX 0.03997 0.03145 -0.05685 -0.28513 0.14094 158 3PY -0.00748 0.00841 0.01447 0.05358 0.00234 159 3PZ -0.06084 -0.07789 0.09334 0.09504 -0.00834 160 4XX 0.65228 0.73053 0.71024 0.34198 0.16610 161 4YY 0.67410 0.76835 0.67371 0.26564 0.20449 162 4ZZ 0.68869 0.78970 0.71688 0.34299 0.15384 163 4XY 0.01667 0.02199 -0.04119 -0.07989 0.04742 164 4XZ 0.02560 0.02108 0.00199 -0.01946 -0.01105 165 4YZ 0.01925 -0.00774 0.02591 0.01093 -0.03146 166 12 H 1S -0.04438 -0.04962 -0.03320 -0.03340 0.00087 167 2S 0.19408 0.18855 0.24945 0.04179 0.03731 168 13 H 1S -0.05479 -0.05411 -0.05115 -0.01508 -0.00743 169 2S 0.23663 0.33822 0.20238 0.10891 0.04140 170 14 C 1S 0.12940 0.15867 -0.03750 -0.11656 0.05795 171 2S -0.67815 -0.81610 0.21506 0.52293 -0.16319 172 2PX 0.02497 0.01696 0.03621 0.03593 -0.01192 173 2PY -0.02980 -0.03529 -0.02725 -0.00255 -0.01928 174 2PZ 0.01671 0.02323 0.00249 -0.01154 0.00762 175 3S -0.63762 -0.79610 0.21215 0.83598 -0.56055 176 3PX -0.07631 -0.08393 -0.12180 -0.16379 0.09188 177 3PY 0.07566 0.12510 0.12699 0.02919 0.12827 178 3PZ -0.02942 -0.03668 -0.08979 0.01714 -0.09362 179 4XX 0.43078 0.53465 -0.19021 -0.44189 0.17571 180 4YY 0.48794 0.59494 -0.12646 -0.40261 0.18577 181 4ZZ 0.50060 0.61011 -0.13128 -0.40544 0.18095 182 4XY 0.02075 0.02170 0.02506 0.02398 -0.00932 183 4XZ 0.05020 0.05397 0.06646 0.02776 0.02230 184 4YZ -0.02551 -0.02959 -0.06492 -0.05276 0.00409 185 15 H 1S -0.02475 -0.03254 -0.00292 0.00146 -0.00120 186 2S 0.11757 0.13159 -0.04850 -0.07809 -0.00644 187 16 H 1S -0.04019 -0.04102 0.02169 0.01987 0.01405 188 2S 0.15597 0.19855 -0.09599 -0.19290 0.10464 189 17 C 1S -0.05434 -0.06471 -0.16727 -0.12747 -0.00568 190 2S 0.28901 0.31453 0.76697 0.64936 -0.08101 191 2PX 0.00203 -0.00067 0.02722 0.03341 -0.00779 192 2PY -0.04470 -0.05322 -0.00694 0.01976 -0.01712 193 2PZ 0.03070 0.03829 -0.00147 -0.01181 -0.00013 194 3S 0.24432 0.36031 1.16741 0.85014 0.17552 195 3PX 0.00372 -0.00500 -0.12110 -0.07748 -0.08006 196 3PY 0.14612 0.16260 0.00698 -0.10021 0.08422 197 3PZ -0.08766 -0.11852 0.05445 0.08986 -0.03208 198 4XX -0.17866 -0.20122 -0.57742 -0.48677 0.03883 199 4YY -0.18946 -0.21625 -0.60356 -0.49830 0.02272 200 4ZZ -0.23261 -0.27383 -0.61028 -0.45726 -0.01401 201 4XY 0.06919 0.08516 -0.00902 -0.06646 0.04564 202 4XZ -0.04693 -0.05709 -0.01361 0.02557 -0.02365 203 4YZ 0.01186 0.00983 -0.00609 -0.00307 -0.00291 204 18 C 1S -0.17305 -0.22504 -0.03977 0.14522 -0.14438 205 2S 0.91077 1.20098 0.22625 -0.69298 0.74286 206 2PX -0.01106 0.01198 0.05876 0.02455 0.03055 207 2PY -0.01888 -0.03628 0.00187 0.02388 -0.02816 208 2PZ 0.01218 0.01016 -0.01565 -0.01917 -0.00032 209 3S 0.84442 1.01690 0.11851 -1.03247 0.93350 210 3PX 0.03205 0.03560 -0.21224 -0.06367 -0.11492 211 3PY 0.03133 -0.00040 -0.13178 -0.12507 0.01479 212 3PZ -0.03670 -0.03956 0.05946 0.05907 0.04684 213 4XX -0.61142 -0.83033 -0.18327 0.52222 -0.57874 214 4YY -0.63769 -0.83814 -0.14051 0.53719 -0.54135 215 4ZZ -0.65137 -0.84855 -0.15264 0.53269 -0.54261 216 4XY -0.02864 -0.01379 0.08343 0.06790 0.02212 217 4XZ -0.01643 -0.01312 0.01819 0.01274 0.01073 218 4YZ -0.00717 -0.01639 -0.04055 -0.03819 0.00954 219 19 H 1S 0.05622 0.06868 0.00203 -0.00635 -0.00581 220 2S -0.21665 -0.28299 -0.08440 0.16582 -0.14331 221 20 H 1S 0.03307 0.04638 0.01095 -0.01951 0.02948 222 2S -0.14570 -0.19075 -0.04985 0.14610 -0.17907 223 21 H 1S 0.01098 0.01825 0.02630 0.02348 -0.01174 224 2S -0.05839 -0.08416 -0.25344 -0.17727 -0.02499 225 22 H 1S 0.01592 0.01196 0.01124 0.01042 -0.00531 226 2S -0.03856 -0.05538 -0.13130 -0.11637 0.02614 227 23 H 1S -0.00507 -0.02211 -0.05763 -0.07952 0.02744 228 2S 0.11654 -0.00402 0.33004 0.17741 -0.22826 229 24 H 1S 0.03794 0.03772 -0.06763 -0.05222 -0.01197 230 2S -0.21139 -0.16713 0.25371 0.13978 0.13817 231 25 H 1S 0.03270 0.01435 0.00381 0.01311 0.02625 232 2S -0.10551 0.06227 0.04042 -0.23583 0.26731 233 26 H 1S 0.02905 -0.02555 -0.00962 0.03102 0.00120 234 2S -0.12098 0.06474 0.12270 -0.21064 0.20309 235 27 H 1S -0.02453 -0.01295 0.06424 0.00529 0.04250 236 2S 0.03110 0.09337 -0.01280 -0.02292 -0.19166 237 28 Br 1S -0.00068 -0.00029 0.00090 -0.00000 0.00001 238 2S 0.00707 0.00140 -0.01138 0.00256 0.00341 239 3S -0.01521 -0.00120 0.02711 -0.00855 -0.00854 240 4S -0.00730 -0.00438 0.00552 0.00320 -0.00968 241 5S -0.16717 0.03684 0.19449 0.06461 -0.05637 242 6S 0.43537 -0.02386 -0.58029 -0.19465 -0.05047 243 7PX 0.00046 -0.00069 -0.00127 0.00066 -0.00291 244 7PY 0.00071 0.00013 -0.00268 0.00076 -0.00202 245 7PZ 0.00114 0.00041 -0.00463 0.00025 -0.00518 246 8PX -0.00163 0.00230 0.00436 -0.00228 0.00996 247 8PY -0.00232 -0.00060 0.00905 -0.00251 0.00702 248 8PZ -0.00393 -0.00168 0.01598 -0.00074 0.01819 249 9PX 0.01150 -0.01329 -0.01775 0.01757 -0.04636 250 9PY -0.00445 0.01380 -0.02682 0.00689 -0.04144 251 9PZ 0.01053 0.01753 -0.06806 0.00097 -0.09670 252 10PX -0.01613 0.05937 -0.06726 -0.07856 -0.05916 253 10PY 0.13566 -0.07005 -0.14132 -0.00478 0.02979 254 10PZ 0.10632 0.02624 -0.19463 -0.05241 -0.16492 255 11XX 0.00869 -0.00326 -0.01262 0.00770 0.00595 256 11YY 0.00157 0.00379 -0.00950 -0.00007 0.00491 257 11ZZ 0.00870 -0.00060 -0.01296 0.00522 0.00768 258 11XY 0.00278 -0.00262 0.00040 0.00140 0.00110 259 11XZ 0.00144 -0.00264 0.00137 0.00344 0.00297 260 11YZ -0.00461 0.00376 0.00323 -0.00034 -0.00341 261 12XX -0.09523 0.02726 0.07758 0.01311 -0.04764 262 12YY -0.02458 -0.03639 0.03767 0.07380 -0.01659 263 12ZZ -0.06488 0.03429 0.00265 0.01739 -0.15871 264 12XY -0.01714 0.01649 -0.00966 -0.01463 -0.01694 265 12XZ -0.00282 0.02766 -0.04118 -0.03114 -0.07196 266 12YZ 0.05981 -0.02634 -0.07480 0.00476 -0.00665 267 29 C 1S 0.10799 -0.17479 0.04170 -0.29431 -0.09627 268 2S -0.64115 0.94971 -0.15502 1.35052 0.40039 269 2PX -0.01310 -0.00257 -0.02332 -0.00089 0.02093 270 2PY -0.01477 0.00114 0.00603 0.04898 0.00955 271 2PZ -0.02155 0.04295 -0.00855 0.05873 0.02475 272 3S -0.34529 0.88221 -0.59202 2.11977 0.83894 273 3PX 0.00911 0.06128 0.11201 -0.01753 -0.18497 274 3PY -0.10782 0.09291 0.08979 -0.12628 -0.01843 275 3PZ -0.03789 -0.02188 0.17077 -0.13451 -0.11271 276 4XX 0.42791 -0.65590 0.13364 -1.04135 -0.33621 277 4YY 0.44378 -0.66393 0.13662 -1.06111 -0.33571 278 4ZZ 0.39258 -0.66725 0.16252 -1.09698 -0.35061 279 4XY 0.02476 -0.00860 0.00028 0.00118 0.00889 280 4XZ -0.00275 -0.00350 -0.01072 0.00134 0.02604 281 4YZ 0.01214 -0.00358 0.03280 -0.03046 -0.02390 282 30 H 1S -0.02932 0.03693 0.02421 0.01852 -0.01470 283 2S 0.13843 -0.17816 0.08677 -0.33980 -0.21085 284 31 H 1S -0.02628 0.03759 0.02801 0.01826 0.00530 285 2S 0.06963 -0.13415 -0.03625 -0.37706 -0.07412 286 32 H 1S -0.05106 0.03862 0.01207 0.02139 0.00569 287 2S 0.13338 -0.30972 0.00221 -0.37767 -0.08453 288 33 H 1S 0.06328 -0.02949 0.03586 -0.02417 0.00648 289 2S -0.19822 0.12230 -0.24813 0.01204 0.21181 290 34 H 1S 0.03989 -0.01488 0.03257 0.00335 -0.01570 291 2S -0.20573 0.15943 -0.25833 0.10381 0.21628 292 35 H 1S 0.05633 -0.03344 -0.01540 0.00281 -0.00588 293 2S -0.30020 0.24008 0.04166 -0.05849 -0.15894 294 36 H 1S 0.05560 -0.03548 -0.00775 -0.00008 0.00572 295 2S -0.17541 0.12190 -0.00294 -0.04036 -0.09016 296 37 H 1S 0.03051 0.00044 -0.02911 0.01428 -0.00158 297 2S -0.12355 0.02158 0.27369 -0.14429 -0.13660 298 38 H 1S 0.01945 -0.00700 -0.01827 0.00462 0.00606 299 2S -0.07962 0.00075 0.11260 -0.06691 -0.03704 300 39 H 1S -0.02735 0.03312 -0.02159 -0.00029 0.01453 301 2S 0.18572 -0.21513 0.07183 0.03521 0.16210 302 40 H 1S -0.03257 0.01535 0.01460 -0.00391 0.01079 303 2S 0.06766 -0.16595 0.10234 -0.01605 0.09923 296 297 298 299 300 V V V V V Eigenvalues -- 4.41813 4.44174 4.45501 4.47974 4.56187 1 1 C 1S 0.26398 0.16167 0.11515 -0.07468 -0.02144 2 2S -1.32120 -0.67470 -0.44768 0.28235 -0.04219 3 2PX 0.05798 0.05915 0.03051 -0.02284 0.00659 4 2PY 0.01219 0.02753 0.02187 -0.01288 -0.01876 5 2PZ -0.06481 -0.02599 -0.02086 0.01073 0.00333 6 3S -2.48779 -1.77538 -1.35895 0.85215 0.54252 7 3PX -0.06325 -0.40015 -0.22364 0.15669 0.12914 8 3PY -0.00504 -0.06609 -0.07877 0.08180 0.00766 9 3PZ 0.24116 0.07740 0.11965 -0.04288 -0.06214 10 4XX 1.08146 0.72420 0.46964 -0.29913 0.00392 11 4YY 0.98067 0.55391 0.39139 -0.25465 -0.03899 12 4ZZ 1.04201 0.52619 0.38585 -0.24975 -0.06078 13 4XY -0.04750 -0.05288 -0.02630 0.02336 -0.02368 14 4XZ 0.05972 -0.02558 0.00148 -0.00050 -0.00718 15 4YZ -0.09332 0.00035 -0.00984 0.00890 -0.00077 16 2 C 1S -0.32831 0.05916 -0.03527 0.02762 0.04959 17 2S 1.65652 -0.23813 0.13667 -0.10243 -0.09343 18 2PX -0.08367 0.02547 -0.00549 0.01131 0.02410 19 2PY -0.01688 0.00255 -0.00004 0.00017 -0.00622 20 2PZ -0.02730 -0.00362 0.00076 -0.00294 -0.01480 21 3S 2.99691 -0.57122 0.42846 -0.28049 -0.63062 22 3PX 0.37436 -0.13159 0.09577 -0.08455 -0.25018 23 3PY -0.03544 -0.14052 -0.08321 0.06118 0.06587 24 3PZ 0.07653 0.15065 0.08893 -0.03677 0.03507 25 4XX -1.24768 0.21562 -0.11406 0.08660 0.13022 26 4YY -1.32394 0.27318 -0.10643 0.08768 0.15768 27 4ZZ -1.27034 0.15357 -0.15106 0.11507 0.15269 28 4XY -0.04585 0.06797 0.02710 -0.01735 0.00314 29 4XZ -0.01599 -0.03912 -0.01308 0.00973 -0.01363 30 4YZ 0.14186 0.01057 0.02640 -0.01899 -0.01201 31 3 C 1S 0.25957 -0.21460 -0.05865 0.04066 -0.01352 32 2S -1.36018 0.93767 0.27704 -0.18400 -0.00818 33 2PX 0.02323 -0.02299 -0.00692 0.00089 -0.01391 34 2PY -0.07350 0.04442 0.01030 -0.00914 0.00038 35 2PZ 0.01434 -0.01833 -0.00161 0.00521 -0.00412 36 3S -2.22738 2.21470 0.56654 -0.42502 0.18294 37 3PX 0.02188 0.26966 0.11222 -0.08472 -0.03084 38 3PY 0.24718 -0.25711 -0.03392 0.05099 -0.07409 39 3PZ -0.11406 0.09078 0.00494 -0.02155 0.04954 40 4XX 1.07899 -0.88215 -0.26972 0.18786 -0.01899 41 4YY 1.05848 -0.75105 -0.19311 0.12812 -0.04091 42 4ZZ 0.94400 -0.74402 -0.20880 0.14442 -0.02986 43 4XY 0.09188 -0.01336 0.01663 -0.01236 -0.02471 44 4XZ -0.03755 0.05163 0.02530 -0.01566 -0.00132 45 4YZ -0.05303 0.00704 -0.00024 -0.00187 -0.00640 46 4 C 1S -0.08013 0.20129 0.12594 -0.11763 -0.07930 47 2S 0.60549 -0.86983 -0.52803 0.46283 0.44367 48 2PX 0.01013 -0.04286 -0.01583 0.00860 0.01490 49 2PY -0.01289 -0.01733 -0.03041 0.03397 0.01798 50 2PZ -0.03895 0.04174 0.02264 -0.01744 -0.00659 51 3S 0.46802 -1.86125 -1.19689 1.21011 0.93335 52 3PX -0.05648 0.43749 0.07890 -0.00105 0.03022 53 3PY 0.22980 0.02106 0.16397 -0.21121 -0.18967 54 3PZ -0.10807 -0.17344 -0.15888 0.09024 0.08051 55 4XX -0.43296 0.82390 0.48570 -0.42471 -0.31574 56 4YY -0.34485 0.71114 0.45413 -0.41928 -0.32131 57 4ZZ -0.35046 0.67994 0.43848 -0.42133 -0.35823 58 4XY 0.03231 -0.07209 -0.04115 0.02140 0.03329 59 4XZ 0.04736 0.00029 0.02695 -0.03075 -0.07039 60 4YZ 0.01593 0.02436 -0.01999 0.02889 0.08656 61 5 C 1S -0.04168 0.02163 -0.11340 0.11825 0.34894 62 2S -0.12786 -0.10805 0.45562 -0.40902 -1.22034 63 2PX 0.04614 -0.01435 0.00126 -0.00715 -0.00287 64 2PY -0.04217 -0.01346 -0.01676 0.00077 -0.04066 65 2PZ -0.01644 -0.00337 -0.01215 0.00156 0.03379 66 3S 0.79112 -0.13529 0.85146 -0.94865 -3.57878 67 3PX -0.73650 -0.02674 -0.25070 0.07879 0.14804 68 3PY -0.01136 0.14734 0.19015 -0.10296 0.34878 69 3PZ 0.18631 0.10213 0.16725 0.05448 -0.19045 70 4XX -0.06312 0.08248 -0.40075 0.33604 1.15787 71 4YY -0.03193 0.15075 -0.37363 0.39576 1.23204 72 4ZZ -0.04543 0.05741 -0.43277 0.46020 1.24739 73 4XY 0.05812 0.13238 0.06472 0.01372 0.03777 74 4XZ 0.01909 -0.04789 -0.02277 0.05840 0.03836 75 4YZ -0.04472 -0.01306 -0.00203 -0.02573 -0.02543 76 6 C 1S -0.09844 -0.31086 -0.13892 0.07994 -0.10558 77 2S 0.70144 1.33861 0.54878 -0.27233 0.43342 78 2PX 0.01497 0.01012 0.01704 -0.01047 -0.03567 79 2PY 0.01181 0.00968 0.00913 0.00716 0.00147 80 2PZ -0.02385 0.03439 -0.00055 0.01239 0.06890 81 3S 0.35470 2.73207 1.32947 -0.89608 0.98835 82 3PX -0.39149 -0.27479 -0.21958 0.02493 0.55931 83 3PY -0.48561 -0.01851 -0.19070 0.01415 0.48401 84 3PZ 0.22834 -0.15088 0.03103 -0.08114 -0.45910 85 4XX -0.55353 -1.23353 -0.53484 0.29265 -0.41687 86 4YY -0.44130 -1.19545 -0.50735 0.26272 -0.40253 87 4ZZ -0.40269 -1.10861 -0.48133 0.27417 -0.39050 88 4XY 0.03345 0.01147 0.04262 -0.05953 -0.08480 89 4XZ 0.03307 0.01792 -0.00125 -0.00361 0.03454 90 4YZ 0.02829 0.03665 0.00272 -0.00273 0.02884 91 7 C 1S -0.02681 0.09740 0.06871 -0.07398 -0.12482 92 2S 0.00459 -0.55374 -0.32898 0.22019 0.32286 93 2PX -0.00342 0.00247 0.01467 -0.02399 -0.02391 94 2PY 0.01738 0.05996 0.03709 -0.03658 -0.03598 95 2PZ 0.01546 -0.02038 -0.01390 0.03858 0.05050 96 3S 0.06985 -1.09470 -0.82892 0.81349 1.55584 97 3PX 0.18389 0.02049 0.03036 0.14872 0.19671 98 3PY -0.03763 -0.17480 -0.22636 0.19261 0.19726 99 3PZ -0.11919 0.06183 0.06568 -0.14280 -0.21593 100 4XX -0.09328 0.40080 0.28084 -0.22061 -0.43296 101 4YY -0.00669 0.50765 0.30266 -0.27363 -0.36655 102 4ZZ -0.06985 0.37117 0.25446 -0.25213 -0.39883 103 4XY -0.02085 -0.08321 -0.04056 0.01241 -0.03086 104 4XZ 0.00184 0.03051 0.01424 0.01656 -0.00108 105 4YZ -0.03248 -0.06111 -0.02991 0.00958 0.01024 106 8 C 1S 0.02828 -0.02983 -0.05850 -0.03037 0.16762 107 2S -0.08502 0.17497 0.24685 0.23808 -0.63196 108 2PX -0.00328 0.01028 0.00319 0.00437 -0.01888 109 2PY 0.00269 0.00312 -0.00406 -0.02000 0.01436 110 2PZ -0.00274 0.01078 0.00757 0.01203 -0.02042 111 3S -0.42526 0.31356 0.73931 0.06293 -2.39570 112 3PX 0.00348 -0.08959 0.08840 0.18219 0.05233 113 3PY -0.03858 -0.01748 0.18655 -0.02638 -0.36638 114 3PZ 0.10431 -0.05854 -0.04889 0.01777 0.36340 115 4XX 0.10421 -0.17192 -0.25306 -0.14070 0.67486 116 4YY 0.08005 -0.12031 -0.19561 -0.17906 0.58897 117 4ZZ 0.09549 -0.09191 -0.18840 -0.12057 0.54601 118 4XY -0.00763 -0.01131 0.00633 -0.02917 0.08937 119 4XZ -0.00156 -0.00400 0.00170 0.03676 -0.04034 120 4YZ 0.00662 0.00450 -0.00500 0.01454 -0.02841 121 9 C 1S 0.00342 0.01128 -0.02662 0.17173 -0.34806 122 2S -0.00928 0.03899 -0.09922 -0.76038 1.24816 123 2PX 0.00280 0.01082 -0.03231 0.01070 0.00719 124 2PY 0.01034 -0.00028 -0.03029 -0.01636 0.01297 125 2PZ 0.00558 0.00540 0.01719 -0.02725 0.04496 126 3S 0.04404 -0.13954 0.44144 -1.43475 4.11406 127 3PX -0.10110 -0.14638 0.24559 -0.37036 -0.30134 128 3PY -0.13515 0.00433 0.41651 0.22023 0.03712 129 3PZ -0.02676 0.07138 -0.41488 0.11141 -0.39761 130 4XX 0.01883 0.03296 -0.02705 0.69553 -1.21578 131 4YY 0.00609 0.01947 -0.02945 0.64460 -1.24556 132 4ZZ 0.00973 -0.01470 -0.02882 0.57051 -1.18400 133 4XY -0.00520 0.01007 -0.00219 -0.03178 -0.00233 134 4XZ -0.00322 -0.02274 -0.04304 -0.10158 0.00310 135 4YZ 0.00698 0.03186 -0.00984 0.05826 0.06213 136 10 C 1S 0.00926 0.11969 0.04281 0.23137 0.15940 137 2S -0.10539 -0.63321 -0.02372 -0.85179 -0.54900 138 2PX -0.01131 0.00392 0.02742 0.04223 0.01288 139 2PY -0.00153 0.01763 -0.01766 0.02518 -0.00956 140 2PZ 0.00104 0.02227 -0.00446 0.01258 0.03072 141 3S 0.18718 -0.81297 -0.55052 -1.98518 -1.40063 142 3PX -0.11232 -0.10877 -0.44058 -0.53320 -0.54551 143 3PY 0.16547 -0.07736 0.27247 -0.27037 0.65598 144 3PZ 0.09513 -0.01449 -0.12597 0.13221 -0.34241 145 4XX 0.08439 0.48991 0.10008 0.78758 0.49831 146 4YY 0.05526 0.49264 0.08511 0.85470 0.54856 147 4ZZ 0.03856 0.44682 0.13357 0.76054 0.59773 148 4XY -0.00749 0.01371 -0.07181 0.09282 0.02473 149 4XZ -0.02032 0.00279 -0.01406 -0.04454 0.06491 150 4YZ 0.00286 -0.02892 0.02241 -0.00518 -0.07686 151 11 C 1S -0.04240 -0.17555 0.16569 -0.24707 0.03077 152 2S 0.21937 0.86432 -0.86104 0.92276 -0.02706 153 2PX 0.00591 -0.01510 0.00898 -0.02756 0.01877 154 2PY 0.00788 0.03912 -0.05029 0.06067 -0.01864 155 2PZ -0.00672 0.00342 -0.00578 -0.03492 -0.00648 156 3S 0.25534 1.64532 -1.44924 2.72490 -0.49752 157 3PX -0.00484 0.09816 -0.20671 0.02151 -0.13072 158 3PY 0.01152 -0.15072 0.06782 -0.48926 0.16581 159 3PZ 0.02265 0.01138 0.12550 0.31512 0.12791 160 4XX -0.17986 -0.72669 0.69659 -0.91726 0.08698 161 4YY -0.15987 -0.66598 0.63523 -0.85266 0.05126 162 4ZZ -0.15902 -0.63771 0.63204 -0.82759 0.09530 163 4XY 0.00780 -0.00126 -0.06355 -0.07083 -0.06048 164 4XZ 0.01768 0.05182 -0.06825 0.04372 -0.02726 165 4YZ 0.00170 0.00273 0.00460 0.01954 0.04193 166 12 H 1S 0.00037 0.01652 -0.01102 -0.00748 0.01736 167 2S -0.02871 -0.26574 0.23533 -0.15141 -0.00051 168 13 H 1S -0.00805 -0.02187 0.00595 -0.07484 -0.00341 169 2S -0.05053 -0.20444 0.17916 -0.39441 -0.00237 170 14 C 1S 0.03821 0.15908 -0.30737 0.03675 -0.12193 171 2S -0.22535 -0.80714 1.49031 -0.10902 0.39063 172 2PX -0.00830 -0.02035 0.03552 -0.00808 0.03244 173 2PY 0.00055 -0.01291 0.03499 -0.01071 0.03183 174 2PZ 0.01123 0.04072 -0.07425 0.00093 -0.01658 175 3S -0.26590 -1.44028 2.87410 -0.45227 1.35726 176 3PX -0.00869 0.14036 -0.19306 0.30234 -0.28946 177 3PY -0.00103 0.02528 -0.21773 -0.09520 -0.22586 178 3PZ -0.01983 -0.14971 0.32030 -0.04169 0.14577 179 4XX 0.17222 0.65510 -1.20829 0.16636 -0.41344 180 4YY 0.15398 0.61183 -1.17668 0.11919 -0.42189 181 4ZZ 0.15113 0.59120 -1.15249 0.06949 -0.39211 182 4XY -0.02081 -0.05806 0.11025 -0.02416 0.04047 183 4XZ -0.00591 -0.02127 -0.03206 -0.06965 -0.01885 184 4YZ -0.00466 -0.01208 0.07498 0.06528 0.00857 185 15 H 1S -0.00156 -0.00865 0.00982 -0.00371 0.00481 186 2S 0.04566 0.16153 -0.28058 0.00533 -0.01323 187 16 H 1S -0.00141 0.01838 -0.04564 0.02587 -0.05804 188 2S 0.03542 0.16202 -0.35986 0.03912 -0.21712 189 17 C 1S -0.02470 -0.06361 0.28645 0.20566 0.05024 190 2S 0.13050 0.37932 -1.41507 -0.91481 -0.13713 191 2PX 0.00773 0.01575 -0.08256 -0.06248 -0.01690 192 2PY -0.00552 -0.00081 0.00623 0.00752 0.00188 193 2PZ 0.00332 0.01468 -0.01641 -0.00100 0.01050 194 3S 0.17162 0.53733 -2.62305 -2.01969 -0.64286 195 3PX -0.01083 -0.00975 0.36410 0.40082 0.13824 196 3PY 0.03187 0.08024 -0.13566 0.09113 -0.09919 197 3PZ 0.00060 -0.09349 0.07049 -0.12843 0.03969 198 4XX -0.09393 -0.26089 1.07486 0.75604 0.13124 199 4YY -0.09518 -0.25867 1.13295 0.82205 0.16679 200 4ZZ -0.10152 -0.27882 1.11131 0.71781 0.19564 201 4XY 0.01108 0.02991 -0.01682 0.08018 -0.01882 202 4XZ -0.00969 -0.02256 0.02212 -0.04637 0.02152 203 4YZ 0.01080 0.04189 -0.13013 -0.05817 -0.03582 204 18 C 1S -0.01486 -0.02303 -0.10143 -0.29706 0.06321 205 2S 0.03538 -0.00511 0.63818 1.27476 -0.32428 206 2PX 0.01066 0.00896 -0.00531 0.02775 0.01387 207 2PY -0.00027 -0.00439 -0.04158 -0.08359 0.01887 208 2PZ 0.00208 0.01405 -0.00869 0.02898 -0.01309 209 3S 0.10333 0.30111 0.83277 3.02697 -0.93725 210 3PX -0.02730 -0.10581 0.23664 -0.20151 0.32991 211 3PY 0.02301 0.09849 0.07799 0.49055 -0.11169 212 3PZ -0.01621 -0.07138 -0.01304 -0.19913 -0.01251 213 4XX -0.05029 -0.05879 -0.46519 -1.17488 0.29634 214 4YY -0.03631 -0.03195 -0.47010 -1.06235 0.23495 215 4ZZ -0.04768 -0.06151 -0.37895 -1.04194 0.23342 216 4XY 0.00278 0.00606 -0.07033 -0.03921 -0.06528 217 4XZ -0.00058 0.00934 0.02548 0.08833 -0.06993 218 4YZ -0.00173 -0.01976 0.04471 0.01913 0.01628 219 19 H 1S -0.00829 -0.01598 0.00730 -0.07321 0.03929 220 2S -0.01947 -0.06208 -0.07217 -0.37954 0.08783 221 20 H 1S 0.00336 -0.00665 0.00325 0.00146 0.01070 222 2S -0.00486 0.05033 -0.15944 -0.21910 0.03245 223 21 H 1S -0.00106 0.00001 0.04325 0.04530 0.01608 224 2S -0.03542 -0.05540 0.31986 0.25266 0.10779 225 22 H 1S 0.00460 0.00499 -0.01362 -0.00470 0.01471 226 2S -0.01705 -0.09237 0.26500 0.15289 0.01150 227 23 H 1S 0.01024 -0.01224 0.01798 0.00558 0.02863 228 2S 0.06307 0.11647 0.09214 0.29177 0.22912 229 24 H 1S 0.00910 0.01214 -0.02983 0.00928 -0.07170 230 2S 0.06697 0.01456 -0.04988 0.16960 -0.43228 231 25 H 1S 0.01496 -0.00331 -0.00171 0.01205 0.06857 232 2S 0.04555 -0.06556 -0.04316 -0.04950 0.23681 233 26 H 1S -0.00720 -0.00850 -0.02572 -0.00578 0.04449 234 2S 0.02679 0.00305 -0.03353 -0.02159 0.16440 235 27 H 1S 0.02109 0.00534 -0.00035 0.01800 0.01799 236 2S -0.00185 0.11009 0.05734 0.01058 -0.08179 237 28 Br 1S 0.00058 -0.00029 -0.00002 -0.00022 0.00026 238 2S -0.01031 -0.00254 -0.00178 0.00381 -0.00983 239 3S 0.02666 0.01254 0.00612 -0.00953 0.02937 240 4S 0.00346 -0.01216 -0.00220 -0.00315 -0.00550 241 5S -0.00140 0.09294 0.07253 0.02152 0.05098 242 6S -0.04041 -0.14665 -0.13102 -0.09359 -0.19359 243 7PX 0.00017 0.00100 0.00118 -0.00165 -0.00250 244 7PY -0.00142 -0.00451 -0.00113 0.00017 -0.00448 245 7PZ -0.00209 -0.00213 -0.00028 -0.00119 -0.00532 246 8PX -0.00062 -0.00341 -0.00402 0.00550 0.00858 247 8PY 0.00491 0.01488 0.00367 -0.00052 0.01504 248 8PZ 0.00719 0.00692 0.00074 0.00414 0.01820 249 9PX 0.00700 0.01490 0.01961 -0.01915 -0.04175 250 9PY -0.02382 -0.03658 -0.00297 -0.00096 -0.05534 251 9PZ -0.03243 -0.01401 0.00598 -0.02144 -0.07888 252 10PX -0.04070 0.02264 -0.00053 -0.03999 -0.02419 253 10PY -0.01381 -0.15146 -0.07857 -0.00398 -0.08082 254 10PZ -0.04901 -0.02382 -0.00810 -0.04255 -0.12945 255 11XX -0.01400 -0.01174 -0.00615 0.00719 -0.01827 256 11YY -0.01212 0.00124 0.00090 0.00139 -0.01176 257 11ZZ -0.01169 -0.00945 -0.00426 0.00545 -0.01348 258 11XY 0.00281 -0.00014 0.00128 0.00031 -0.00078 259 11XZ 0.00167 -0.00169 -0.00035 0.00113 -0.00078 260 11YZ -0.00062 0.00624 0.00262 -0.00065 0.00299 261 12XX 0.00276 0.03595 0.04214 -0.01958 0.00877 262 12YY -0.01782 -0.10929 -0.02987 0.03301 -0.06071 263 12ZZ -0.03988 0.02196 0.03805 -0.02380 -0.08897 264 12XY -0.01777 0.00736 -0.00148 -0.01182 -0.01231 265 12XZ -0.01592 0.02805 0.01578 -0.02570 -0.03005 266 12YZ -0.02028 -0.08284 -0.03193 0.00131 -0.06465 267 29 C 1S -0.04146 -0.01563 0.01404 -0.05853 -0.06047 268 2S 0.26744 0.12128 -0.03875 0.19301 0.27378 269 2PX 0.03449 -0.01286 -0.00033 -0.00746 -0.01202 270 2PY 0.01614 -0.00390 -0.00688 0.03268 -0.01426 271 2PZ 0.01862 0.01824 0.01704 0.00158 0.00500 272 3S 0.01257 -0.00142 -0.41448 0.67175 1.07395 273 3PX 0.05125 0.14919 0.09692 0.02819 0.06389 274 3PY 0.03504 0.16405 0.16556 -0.21026 -0.15749 275 3PZ 0.07710 -0.05998 0.03986 -0.03452 -0.23406 276 4XX -0.17193 -0.06215 0.03132 -0.18247 -0.17418 277 4YY -0.17784 -0.11049 0.03423 -0.19211 -0.22218 278 4ZZ -0.17070 -0.04688 0.07410 -0.22189 -0.29950 279 4XY -0.02776 -0.03914 -0.01327 -0.00367 -0.01594 280 4XZ -0.03872 -0.01260 -0.00803 -0.01356 -0.03157 281 4YZ 0.01507 -0.02179 0.02506 -0.02525 -0.07080 282 30 H 1S 0.00475 0.00781 0.01145 -0.00860 -0.02814 283 2S -0.03476 0.03125 0.05349 -0.03260 -0.05779 284 31 H 1S 0.03815 0.02163 0.03153 -0.03347 -0.02982 285 2S -0.07858 0.01081 0.05960 -0.17418 -0.08977 286 32 H 1S 0.03320 -0.00865 0.00682 -0.01563 -0.05440 287 2S -0.03046 -0.12595 -0.06474 0.00034 -0.12669 288 33 H 1S 0.03088 0.01508 0.03504 -0.03806 -0.03103 289 2S -0.06198 0.22832 0.14000 -0.20853 -0.16589 290 34 H 1S 0.00947 -0.01036 0.00587 -0.00005 0.00519 291 2S -0.17897 0.20636 0.05090 -0.08192 -0.08730 292 35 H 1S 0.01813 -0.03710 -0.01009 0.01192 -0.00334 293 2S 0.30233 -0.27799 -0.07890 0.05552 -0.02826 294 36 H 1S -0.01425 -0.01195 -0.00287 -0.00182 -0.00959 295 2S 0.26762 -0.18585 -0.05974 0.03669 0.01324 296 37 H 1S -0.04173 0.01054 -0.01897 0.01204 0.04032 297 2S -0.40832 0.11517 -0.02656 0.03862 0.10563 298 38 H 1S 0.01449 -0.00338 0.00027 -0.00332 -0.00494 299 2S -0.33260 0.02741 -0.02736 0.00311 -0.02951 300 39 H 1S 0.01843 0.04595 0.03337 -0.02586 -0.01653 301 2S 0.26848 0.22971 0.16073 -0.12192 -0.04512 302 40 H 1S 0.00896 0.00433 0.00702 -0.00358 -0.01774 303 2S 0.35230 0.12048 0.09615 -0.05025 0.01912 301 302 303 V V V Eigenvalues -- 4.66226 8.53476 74.75363 1 1 C 1S 0.01740 0.00353 0.00375 2 2S 0.10622 0.02929 0.03271 3 2PX -0.01624 -0.00334 -0.00438 4 2PY 0.01671 0.00285 0.00467 5 2PZ -0.00471 -0.01487 -0.01765 6 3S -0.66214 -0.09089 -0.08926 7 3PX -0.13140 -0.04517 -0.06349 8 3PY -0.00056 0.06006 0.07290 9 3PZ 0.15223 0.10706 0.13894 10 4XX -0.04732 0.00039 -0.00117 11 4YY 0.00908 -0.00366 -0.00577 12 4ZZ 0.04357 0.00106 -0.00080 13 4XY 0.02486 0.00698 0.00843 14 4XZ 0.02580 0.00736 0.00866 15 4YZ 0.01787 -0.00819 -0.01061 16 2 C 1S -0.04339 0.00155 0.00183 17 2S 0.03883 0.00252 0.00669 18 2PX -0.02379 0.01409 0.01858 19 2PY 0.00763 -0.00824 -0.01115 20 2PZ 0.02555 0.00743 0.00979 21 3S 0.61891 0.01199 0.02076 22 3PX 0.24624 -0.08912 -0.12208 23 3PY -0.12877 -0.05597 -0.06784 24 3PZ -0.05363 -0.02784 -0.04594 25 4XX -0.10161 0.00609 0.00549 26 4YY -0.12776 0.00623 0.00531 27 4ZZ -0.12053 -0.00134 -0.00117 28 4XY -0.00336 -0.00335 -0.00340 29 4XZ 0.01208 -0.00239 -0.00220 30 4YZ 0.01146 0.00114 0.00200 31 3 C 1S 0.00203 -0.00660 -0.00690 32 2S 0.04987 -0.01843 -0.02899 33 2PX 0.01987 -0.00057 -0.00056 34 2PY -0.00025 0.00468 0.00526 35 2PZ 0.00745 0.00145 0.00201 36 3S -0.01896 0.17244 0.20621 37 3PX 0.03262 0.02399 0.03396 38 3PY 0.03708 -0.09012 -0.11844 39 3PZ -0.00735 0.01480 0.02139 40 4XX -0.02324 -0.01527 -0.01285 41 4YY 0.00421 -0.00328 0.00053 42 4ZZ -0.01204 -0.01645 -0.01485 43 4XY 0.02389 -0.00579 -0.00673 44 4XZ 0.01148 -0.00078 -0.00127 45 4YZ 0.01377 -0.00275 -0.00308 46 4 C 1S 0.09307 0.00404 0.00418 47 2S -0.40347 0.00620 0.01308 48 2PX -0.03401 0.00039 0.00033 49 2PY 0.00470 -0.01621 -0.02198 50 2PZ 0.01001 0.00726 0.00996 51 3S -1.43756 -0.03082 -0.02327 52 3PX -0.12065 0.06153 0.08333 53 3PY 0.39889 0.04122 0.05729 54 3PZ -0.30364 -0.04277 -0.06252 55 4XX 0.35681 0.00880 0.00670 56 4YY 0.31259 0.01619 0.01522 57 4ZZ 0.38048 0.00222 0.00140 58 4XY -0.02742 0.00273 0.00306 59 4XZ 0.05218 -0.00163 -0.00113 60 4YZ -0.05698 -0.00040 -0.00009 61 5 C 1S -0.37869 0.00131 0.00052 62 2S 1.28884 -0.00192 0.00063 63 2PX 0.03288 -0.00525 -0.00684 64 2PY 0.01453 -0.00646 -0.00584 65 2PZ 0.01160 -0.01380 -0.01710 66 3S 5.24864 0.15297 0.20674 67 3PX -0.05314 0.02412 0.03703 68 3PY -0.83200 -0.02513 -0.03481 69 3PZ -0.25302 0.11896 0.15680 70 4XX -1.35778 0.00873 0.00681 71 4YY -1.28762 0.00428 0.00021 72 4ZZ -1.31610 0.00559 0.00265 73 4XY 0.01618 -0.00556 -0.00640 74 4XZ 0.04007 0.00338 0.00338 75 4YZ 0.01015 -0.00339 -0.00546 76 6 C 1S 0.15337 0.00174 0.00078 77 2S -0.60257 -0.05007 -0.04612 78 2PX 0.03810 0.00466 0.00623 79 2PY -0.00407 0.00498 -0.00289 80 2PZ -0.01822 0.00579 0.00121 81 3S -2.74972 -0.12086 -0.20075 82 3PX -1.30513 -0.17197 -0.22687 83 3PY -0.19268 0.00513 0.03700 84 3PZ 0.39786 -0.02623 -0.03610 85 4XX 0.59570 0.01100 0.00982 86 4YY 0.63559 0.03238 0.03765 87 4ZZ 0.53048 0.02390 0.02840 88 4XY 0.05632 -0.00124 0.00024 89 4XZ -0.02341 0.00271 0.00188 90 4YZ -0.05630 0.01882 0.02894 91 7 C 1S -0.13209 -0.00352 -0.00670 92 2S 0.44924 -0.06431 -0.04950 93 2PX -0.03847 -0.01038 -0.01700 94 2PY -0.01565 -0.02160 -0.02803 95 2PZ 0.04611 -0.02903 -0.04751 96 3S 2.19079 0.12186 0.17363 97 3PX 0.76548 0.16010 0.19614 98 3PY 0.51228 0.12340 0.17152 99 3PZ -0.36179 0.04428 0.07634 100 4XX -0.50371 0.01672 0.01250 101 4YY -0.47949 0.01192 0.00688 102 4ZZ -0.43484 0.04335 0.03277 103 4XY 0.06654 0.00591 0.00645 104 4XZ -0.01364 0.01558 0.01420 105 4YZ 0.01340 0.01961 0.01922 106 8 C 1S 0.12671 0.00613 0.00671 107 2S -0.42698 0.04675 0.05322 108 2PX -0.01094 0.00440 0.00730 109 2PY 0.01070 0.00646 0.00926 110 2PZ -0.00261 -0.00438 -0.00382 111 3S -2.37120 -0.22483 -0.24751 112 3PX 0.25463 0.09650 0.13462 113 3PY -0.37190 -0.11806 -0.15432 114 3PZ 0.39930 0.08636 0.10226 115 4XX 0.49962 -0.00508 -0.00853 116 4YY 0.44262 0.00174 0.00081 117 4ZZ 0.38291 -0.00049 -0.00331 118 4XY 0.06359 0.00359 0.00330 119 4XZ -0.01067 -0.01089 -0.01481 120 4YZ -0.02483 0.00044 0.00044 121 9 C 1S -0.21322 -0.00068 0.00004 122 2S 0.80183 -0.01923 -0.01336 123 2PX -0.01615 -0.00534 -0.00759 124 2PY 0.04687 -0.00550 -0.00897 125 2PZ 0.04481 -0.00472 -0.00666 126 3S 3.10558 0.14956 0.15129 127 3PX -0.34827 -0.12402 -0.14771 128 3PY -0.10713 0.04981 0.08030 129 3PZ -0.47083 0.00204 0.01412 130 4XX -0.76132 0.01092 0.01185 131 4YY -0.76185 0.00544 0.00669 132 4ZZ -0.76647 0.00283 0.00355 133 4XY 0.02289 0.00197 0.00260 134 4XZ -0.00002 0.00666 0.00707 135 4YZ 0.08989 0.00146 0.00179 136 10 C 1S 0.29857 -0.00041 -0.00043 137 2S -1.12143 0.01188 0.00988 138 2PX 0.01260 -0.00763 -0.00797 139 2PY 0.01242 -0.00697 -0.00712 140 2PZ 0.03738 0.01436 0.01890 141 3S -4.26199 0.01790 0.03896 142 3PX 0.35395 0.04490 0.05791 143 3PY 0.10075 0.05588 0.05090 144 3PZ -0.42613 -0.20144 -0.26213 145 4XX 1.11769 -0.00658 -0.00821 146 4YY 1.06541 -0.00442 -0.00467 147 4ZZ 1.02256 -0.00478 -0.00372 148 4XY -0.03093 0.00267 0.00097 149 4XZ -0.03580 0.00015 0.00012 150 4YZ -0.05332 0.00304 0.00370 151 11 C 1S -0.08776 0.00044 0.00070 152 2S 0.42892 0.00796 0.00766 153 2PX -0.01310 0.00390 0.00500 154 2PY 0.03157 0.00633 0.00821 155 2PZ 0.00706 0.00034 0.00095 156 3S 1.14996 -0.08453 -0.10526 157 3PX -0.14811 0.03469 0.03800 158 3PY -0.23493 0.02026 0.02393 159 3PZ 0.11043 0.02351 0.02942 160 4XX -0.36699 -0.00555 -0.00504 161 4YY -0.38259 -0.00417 -0.00441 162 4ZZ -0.28921 0.00326 0.00454 163 4XY -0.04680 -0.00263 -0.00287 164 4XZ 0.02298 -0.00439 -0.00525 165 4YZ 0.03910 -0.00273 -0.00333 166 12 H 1S -0.01545 0.00338 0.00338 167 2S -0.06886 0.01532 0.02057 168 13 H 1S -0.03344 -0.00019 -0.00025 169 2S -0.08293 -0.00261 -0.00119 170 14 C 1S 0.01307 0.00178 0.00181 171 2S -0.12491 0.00318 0.00601 172 2PX 0.00796 0.00115 0.00158 173 2PY 0.01079 0.00030 0.00039 174 2PZ 0.00532 0.00064 0.00065 175 3S -0.16242 -0.03039 -0.03313 176 3PX 0.04236 -0.00999 -0.01182 177 3PY -0.07489 0.00465 0.00779 178 3PZ -0.00762 -0.00587 -0.00422 179 4XX 0.07300 0.00423 0.00356 180 4YY 0.07711 0.00332 0.00272 181 4ZZ 0.05715 0.00439 0.00359 182 4XY 0.00488 -0.00219 -0.00237 183 4XZ -0.02695 0.00138 0.00144 184 4YZ 0.00143 0.00168 0.00160 185 15 H 1S -0.00996 0.00333 0.00351 186 2S 0.06797 0.00149 0.00106 187 16 H 1S 0.00045 -0.00585 -0.00710 188 2S -0.02641 0.02059 0.02887 189 17 C 1S 0.01412 -0.00007 -0.00004 190 2S 0.02649 -0.00188 -0.00133 191 2PX -0.01932 -0.00107 -0.00123 192 2PY 0.01112 0.00032 0.00092 193 2PZ 0.01680 -0.00124 -0.00165 194 3S -0.09356 0.01416 0.01657 195 3PX 0.06278 0.00242 0.00471 196 3PY -0.08829 0.00546 0.00384 197 3PZ -0.06602 -0.00016 0.00069 198 4XX 0.00840 0.00017 -0.00028 199 4YY 0.02884 0.00101 0.00088 200 4ZZ 0.04106 0.00080 0.00105 201 4XY 0.00866 0.00068 0.00023 202 4XZ 0.00588 -0.00145 -0.00149 203 4YZ -0.00222 0.00031 0.00028 204 18 C 1S 0.04609 -0.00436 -0.00447 205 2S -0.22436 -0.00467 -0.01355 206 2PX 0.01952 0.00258 0.00207 207 2PY 0.01130 0.00340 0.00507 208 2PZ -0.00192 0.00133 0.00231 209 3S -0.80572 0.10613 0.14120 210 3PX 0.27103 -0.03277 -0.04882 211 3PY -0.08557 -0.00910 -0.01348 212 3PZ -0.00678 0.01190 0.01262 213 4XX 0.17930 -0.00923 -0.00616 214 4YY 0.18197 -0.01259 -0.01105 215 4ZZ 0.17867 -0.01016 -0.00811 216 4XY -0.04275 0.00035 0.00052 217 4XZ -0.03651 0.00042 0.00045 218 4YZ 0.00464 0.00152 0.00174 219 19 H 1S 0.02420 -0.00246 -0.00285 220 2S 0.06786 -0.01682 -0.02586 221 20 H 1S 0.00875 -0.00427 -0.00586 222 2S 0.03223 -0.01260 -0.01437 223 21 H 1S 0.01392 -0.00192 -0.00206 224 2S 0.07298 -0.00066 -0.00054 225 22 H 1S 0.00259 -0.00077 -0.00110 226 2S -0.07400 0.00072 0.00035 227 23 H 1S 0.11583 0.00370 0.00216 228 2S 0.37772 -0.18047 -0.25601 229 24 H 1S -0.04951 -0.01088 -0.01309 230 2S -0.12651 -0.00327 -0.00921 231 25 H 1S 0.07105 0.02327 0.02702 232 2S 0.16343 -0.08493 -0.12774 233 26 H 1S 0.05327 0.00155 0.00069 234 2S 0.08880 -0.02639 -0.03716 235 27 H 1S 0.03769 0.01091 0.00876 236 2S 0.08080 -0.00300 -0.01941 237 28 Br 1S 0.00030 0.11527 -0.94646 238 2S -0.00291 -1.83204 -3.37059 239 3S 0.00594 5.60130 10.33722 240 4S 0.00351 -2.08132 19.86628 241 5S -0.11104 2.12388 8.12680 242 6S 0.16916 3.81567 6.20220 243 7PX -0.00175 -0.00179 -0.00212 244 7PY 0.00204 -0.00489 -0.00588 245 7PZ -0.00304 -0.00447 -0.00518 246 8PX 0.00598 0.00601 0.00741 247 8PY -0.00660 0.01642 0.02057 248 8PZ 0.01063 0.01493 0.01809 249 9PX -0.02621 -0.02788 -0.03603 250 9PY 0.00845 -0.07568 -0.09865 251 9PZ -0.06590 -0.06755 -0.08703 252 10PX -0.05428 0.05567 0.07708 253 10PY 0.09993 0.13342 0.18603 254 10PZ 0.03041 0.15303 0.21586 255 11XX 0.00101 -1.97733 -15.31562 256 11YY -0.00701 -1.97756 -15.31620 257 11ZZ -0.00127 -1.97777 -15.31728 258 11XY -0.00033 -0.00091 -0.00120 259 11XZ 0.00131 -0.00033 -0.00072 260 11YZ -0.00746 -0.00106 -0.00176 261 12XX -0.07691 -1.80431 -3.35084 262 12YY 0.03582 -1.80186 -3.34539 263 12ZZ -0.08778 -1.78928 -3.32400 264 12XY -0.00288 0.00673 0.00919 265 12XZ -0.04333 0.00312 0.00618 266 12YZ 0.06025 0.00775 0.01376 267 29 C 1S 0.00820 -0.00022 -0.00025 268 2S -0.24568 0.00106 0.00068 269 2PX 0.00678 0.00063 0.00054 270 2PY 0.02888 0.00437 0.00569 271 2PZ 0.02796 0.00360 0.00476 272 3S -0.42791 -0.05768 -0.07762 273 3PX -0.00680 -0.00324 -0.00258 274 3PY 0.04941 0.01852 0.02637 275 3PZ 0.08299 0.02364 0.03029 276 4XX 0.05508 -0.00027 -0.00037 277 4YY 0.09235 -0.00318 -0.00381 278 4ZZ 0.14150 -0.00094 -0.00071 279 4XY 0.01944 0.00072 0.00068 280 4XZ 0.00849 -0.00097 -0.00106 281 4YZ 0.08826 -0.00427 -0.00474 282 30 H 1S 0.00781 0.00250 0.00330 283 2S 0.03816 -0.00776 -0.00965 284 31 H 1S 0.01099 0.00127 0.00191 285 2S 0.04379 -0.00186 -0.00150 286 32 H 1S 0.00875 0.00012 0.00014 287 2S 0.06151 0.00843 0.00971 288 33 H 1S 0.05063 0.02483 0.03109 289 2S 0.11558 -0.06137 -0.09139 290 34 H 1S 0.02771 -0.00888 -0.01096 291 2S 0.03117 -0.02712 -0.04248 292 35 H 1S -0.00688 -0.00574 -0.00717 293 2S 0.01706 0.01279 0.02065 294 36 H 1S 0.01287 -0.00575 -0.00644 295 2S -0.03691 0.01065 0.01805 296 37 H 1S -0.04869 0.02029 0.02625 297 2S -0.13361 -0.11712 -0.16790 298 38 H 1S 0.00403 -0.01026 -0.01281 299 2S 0.04443 -0.02872 -0.04029 300 39 H 1S 0.00335 -0.00768 -0.01093 301 2S 0.02993 -0.04633 -0.06335 302 40 H 1S 0.02691 0.01928 0.02257 303 2S -0.00435 -0.03982 -0.06643 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05179 2 2S -0.05325 0.30531 3 2PX 0.00976 -0.01795 0.36937 4 2PY -0.00072 0.00316 0.01012 0.42224 5 2PZ -0.00156 -0.00586 0.00786 -0.00473 0.40520 6 3S -0.19855 0.29749 -0.03122 0.00919 0.00306 7 3PX -0.00117 -0.00875 0.14954 0.00309 0.02997 8 3PY -0.00160 0.00172 0.01161 0.20303 -0.00628 9 3PZ 0.00172 -0.00232 0.00483 -0.00339 0.20050 10 4XX -0.01527 -0.00561 0.01608 -0.00758 -0.00529 11 4YY -0.01779 -0.00046 -0.01265 -0.01044 0.00369 12 4ZZ -0.01709 -0.00239 -0.00519 0.01589 0.00725 13 4XY -0.00163 0.00329 -0.00929 -0.00980 0.00730 14 4XZ 0.00041 -0.00076 -0.00214 0.00753 0.00013 15 4YZ -0.00063 0.00135 0.00631 0.00949 0.01639 16 2 C 1S 0.01014 -0.01861 0.02189 -0.03108 0.04567 17 2S -0.01899 0.03048 -0.04547 0.06301 -0.09311 18 2PX -0.03039 0.05863 -0.04427 0.07167 -0.10166 19 2PY 0.03289 -0.06896 0.06622 -0.07868 0.12274 20 2PZ -0.04905 0.10476 -0.10040 0.12800 -0.17450 21 3S 0.00816 -0.00024 -0.02997 0.04816 -0.07560 22 3PX -0.00678 0.01801 -0.02607 0.02892 -0.04443 23 3PY 0.00537 -0.01839 0.02648 -0.03675 0.03886 24 3PZ -0.01081 0.03096 -0.04628 0.04569 -0.06985 25 4XX 0.00101 -0.00256 0.00747 -0.00253 0.00075 26 4YY -0.00044 0.00001 -0.00161 -0.00837 -0.00044 27 4ZZ -0.00311 0.00490 -0.00438 0.00725 0.00497 28 4XY 0.00209 -0.00437 -0.00141 -0.00237 0.00724 29 4XZ -0.00305 0.00595 0.00077 0.00681 -0.00507 30 4YZ 0.00451 -0.00867 0.00693 -0.00022 0.00777 31 3 C 1S -0.00239 0.00467 -0.00012 0.00996 -0.00590 32 2S 0.00421 -0.01204 0.00184 -0.02380 0.01501 33 2PX -0.00042 0.00418 0.00402 0.01211 -0.00273 34 2PY -0.00779 0.02156 -0.00619 0.02832 -0.03315 35 2PZ 0.00877 -0.02149 0.01156 -0.02858 0.01410 36 3S 0.00526 -0.00737 -0.00809 -0.04307 0.01985 37 3PX -0.00033 0.00301 0.00549 0.01369 -0.00988 38 3PY -0.00518 0.01117 0.00200 0.02256 -0.02866 39 3PZ 0.00755 -0.01370 0.00696 -0.01751 0.00686 40 4XX 0.00069 -0.00172 0.00147 -0.00294 0.00371 41 4YY -0.00064 0.00086 -0.00089 0.00196 -0.00286 42 4ZZ -0.00104 0.00196 -0.00106 0.00344 -0.00247 43 4XY 0.00039 -0.00124 0.00091 -0.00139 0.00147 44 4XZ -0.00003 0.00017 -0.00008 0.00042 0.00089 45 4YZ 0.00138 -0.00303 0.00231 -0.00555 0.00544 46 4 C 1S -0.00179 0.00369 0.00258 0.00283 -0.00622 47 2S 0.00392 -0.00550 -0.00569 -0.00336 0.01476 48 2PX -0.00442 0.00785 -0.00692 0.01402 -0.01404 49 2PY -0.00257 0.00303 0.01391 -0.00222 -0.00815 50 2PZ 0.00428 -0.01039 -0.01361 -0.00067 0.01965 51 3S 0.00449 -0.01323 -0.00673 -0.01951 0.01449 52 3PX -0.00207 0.00594 -0.00793 0.00275 -0.01117 53 3PY -0.00065 0.00243 0.00482 0.00052 0.00375 54 3PZ 0.00233 -0.00784 -0.00934 -0.00511 0.01592 55 4XX -0.00006 0.00029 0.00130 -0.00043 0.00060 56 4YY -0.00008 0.00033 -0.00040 0.00069 -0.00046 57 4ZZ 0.00005 -0.00019 -0.00121 0.00047 0.00001 58 4XY -0.00005 -0.00022 0.00023 -0.00038 -0.00016 59 4XZ -0.00013 0.00064 -0.00077 0.00079 -0.00050 60 4YZ 0.00005 0.00014 0.00124 -0.00064 0.00017 61 5 C 1S -0.00275 0.00413 0.01277 0.00352 -0.00241 62 2S 0.00448 -0.01156 -0.02726 -0.00431 0.00891 63 2PX -0.01193 0.02689 0.05446 0.00099 -0.01629 64 2PY -0.00573 0.01310 0.02290 0.00854 -0.01651 65 2PZ 0.00408 -0.01030 -0.01744 -0.01039 -0.01065 66 3S 0.00651 -0.00240 -0.05675 -0.04446 -0.00854 67 3PX -0.00689 0.00819 0.02021 0.01331 -0.00186 68 3PY -0.00375 0.00604 0.02618 0.02726 -0.00999 69 3PZ 0.00413 -0.00620 -0.01335 -0.02689 -0.02573 70 4XX -0.00131 0.00204 0.00783 0.00014 -0.00055 71 4YY 0.00038 -0.00100 -0.00396 0.00056 0.00067 72 4ZZ -0.00022 0.00005 -0.00016 0.00011 -0.00011 73 4XY 0.00010 -0.00007 0.00028 -0.00074 -0.00096 74 4XZ 0.00033 -0.00038 -0.00271 0.00025 0.00030 75 4YZ -0.00042 0.00069 0.00141 -0.00073 -0.00203 76 6 C 1S 0.01233 -0.02392 -0.07117 0.01606 0.01744 77 2S -0.02296 0.04114 0.14927 -0.03779 -0.03943 78 2PX 0.06103 -0.12100 -0.30365 0.07511 0.07371 79 2PY -0.01162 0.02087 0.06665 0.00995 0.01659 80 2PZ -0.00720 0.01297 0.05987 0.00659 0.06206 81 3S 0.00779 0.00032 0.16836 -0.00621 -0.05217 82 3PX 0.00089 -0.02312 -0.09183 0.03361 0.04555 83 3PY 0.00123 -0.00180 0.01214 0.02969 0.01848 84 3PZ 0.00056 0.00214 0.02906 -0.00035 0.02548 85 4XX -0.00648 0.01112 0.00329 -0.00634 -0.00401 86 4YY 0.00266 -0.00593 -0.00982 0.00682 0.00188 87 4ZZ 0.00170 -0.00390 -0.00564 0.00251 0.00598 88 4XY 0.00185 -0.00375 -0.00392 -0.01193 0.00173 89 4XZ 0.00137 -0.00207 -0.00338 0.00125 -0.01191 90 4YZ -0.00074 0.00128 0.00361 0.00196 0.00426 91 7 C 1S -0.00366 0.00624 0.01197 -0.01227 0.00332 92 2S 0.00709 -0.01437 -0.02628 0.02927 -0.00794 93 2PX -0.01243 0.02585 0.03222 -0.03584 0.00323 94 2PY 0.00730 -0.01529 -0.04673 0.01488 -0.00777 95 2PZ -0.00089 0.00171 0.01317 -0.00968 -0.01772 96 3S 0.01197 -0.01825 -0.06055 0.08145 -0.01852 97 3PX -0.00447 0.01166 0.00840 0.00348 -0.00245 98 3PY 0.00342 -0.00460 -0.04014 0.00569 -0.00246 99 3PZ 0.00134 -0.00403 0.00975 0.00141 -0.01211 100 4XX -0.00123 0.00202 0.00588 -0.00311 -0.00065 101 4YY 0.00034 -0.00079 -0.00147 0.00095 0.00032 102 4ZZ -0.00001 -0.00024 -0.00099 0.00213 0.00187 103 4XY 0.00104 -0.00190 -0.00636 0.00306 0.00053 104 4XZ -0.00018 0.00016 0.00135 -0.00002 -0.00046 105 4YZ -0.00087 0.00151 0.00402 -0.00133 0.00141 106 8 C 1S 0.00120 -0.00279 -0.00563 0.00464 0.00072 107 2S -0.00250 0.00538 0.01251 -0.00598 -0.00148 108 2PX 0.00823 -0.01692 -0.03334 0.02446 0.00521 109 2PY -0.00275 0.00457 0.01235 -0.00444 -0.00397 110 2PZ 0.00149 -0.00265 -0.00860 0.00383 0.00258 111 3S -0.00464 0.00705 0.02726 -0.04509 0.00434 112 3PX 0.00546 -0.01077 -0.02738 0.03197 0.00141 113 3PY -0.00189 0.00292 0.00749 -0.00598 -0.00451 114 3PZ 0.00158 -0.00216 -0.01110 0.00899 0.00021 115 4XX -0.00009 0.00028 0.00083 -0.00054 -0.00037 116 4YY 0.00042 -0.00089 -0.00146 0.00116 0.00018 117 4ZZ 0.00006 -0.00017 -0.00029 0.00068 0.00062 118 4XY -0.00021 0.00034 0.00159 -0.00041 0.00026 119 4XZ -0.00014 0.00029 0.00023 -0.00039 0.00053 120 4YZ -0.00001 0.00008 0.00016 -0.00013 -0.00006 121 9 C 1S 0.00002 -0.00001 -0.00125 -0.00068 0.00033 122 2S -0.00017 -0.00010 0.00240 0.00073 0.00014 123 2PX -0.00011 0.00177 -0.00444 -0.00355 0.00123 124 2PY -0.00002 0.00018 -0.00436 -0.00128 0.00115 125 2PZ 0.00044 -0.00012 0.00092 -0.00077 -0.00099 126 3S 0.00069 -0.00155 0.00218 0.00464 -0.00440 127 3PX -0.00160 0.00264 0.00133 -0.00915 0.00349 128 3PY 0.00094 -0.00202 -0.00771 0.00225 0.00011 129 3PZ -0.00005 0.00053 0.00297 -0.00279 0.00222 130 4XX -0.00036 0.00066 0.00153 -0.00071 -0.00008 131 4YY 0.00010 -0.00018 -0.00044 0.00026 0.00013 132 4ZZ 0.00009 -0.00020 -0.00066 0.00002 0.00009 133 4XY 0.00014 -0.00022 -0.00053 0.00012 -0.00002 134 4XZ -0.00003 0.00003 0.00016 0.00005 -0.00013 135 4YZ -0.00017 0.00034 0.00053 -0.00047 -0.00004 136 10 C 1S 0.00091 -0.00251 -0.00795 -0.00016 0.00096 137 2S -0.00246 0.00456 0.01522 0.00012 -0.00246 138 2PX 0.00733 -0.01491 -0.04255 0.00434 0.00458 139 2PY -0.00115 0.00418 0.00957 -0.00157 0.00028 140 2PZ -0.00259 0.00480 0.01340 -0.00062 0.00149 141 3S -0.00224 0.00786 0.04900 -0.00088 -0.00555 142 3PX 0.00173 -0.00588 -0.02489 -0.00212 0.00484 143 3PY -0.00097 0.00334 0.01644 -0.00446 -0.00699 144 3PZ -0.00192 0.00449 0.01220 0.00070 0.00468 145 4XX 0.00015 -0.00025 -0.00071 -0.00024 0.00044 146 4YY -0.00008 -0.00000 0.00013 -0.00007 -0.00039 147 4ZZ -0.00005 -0.00017 -0.00010 0.00006 -0.00025 148 4XY 0.00037 -0.00088 -0.00211 -0.00006 0.00056 149 4XZ -0.00009 0.00010 0.00011 0.00013 -0.00012 150 4YZ -0.00014 0.00034 0.00094 -0.00004 -0.00055 151 11 C 1S -0.00069 0.00116 0.00327 0.00046 -0.00062 152 2S 0.00119 -0.00259 -0.00527 -0.00114 0.00103 153 2PX -0.00336 0.00609 0.01498 -0.00082 -0.00287 154 2PY -0.00134 0.00195 0.00881 -0.00037 -0.00345 155 2PZ 0.00134 -0.00283 -0.00602 -0.00053 -0.00166 156 3S 0.00319 -0.00576 -0.02276 0.00115 0.00673 157 3PX -0.00182 0.00298 0.01135 0.00217 -0.00296 158 3PY -0.00129 0.00232 0.01043 -0.00278 -0.00441 159 3PZ 0.00102 -0.00194 -0.00587 -0.00186 -0.00126 160 4XX -0.00027 0.00050 0.00127 0.00008 -0.00011 161 4YY 0.00014 -0.00034 -0.00086 0.00014 0.00005 162 4ZZ -0.00003 -0.00002 0.00015 -0.00006 -0.00006 163 4XY 0.00014 -0.00023 -0.00058 -0.00003 -0.00006 164 4XZ 0.00009 -0.00021 -0.00049 -0.00015 -0.00010 165 4YZ -0.00010 0.00014 0.00050 -0.00007 -0.00025 166 12 H 1S 0.00039 -0.00094 -0.00197 -0.00001 0.00073 167 2S 0.00041 -0.00132 -0.00304 0.00048 0.00136 168 13 H 1S 0.00022 -0.00101 -0.00050 -0.00063 -0.00167 169 2S 0.00009 -0.00073 -0.00034 0.00073 -0.00158 170 14 C 1S 0.00038 -0.00084 -0.00209 -0.00000 0.00012 171 2S -0.00091 0.00162 0.00408 0.00031 0.00001 172 2PX 0.00220 -0.00423 -0.00987 0.00050 0.00003 173 2PY -0.00038 0.00077 0.00199 0.00057 0.00015 174 2PZ -0.00094 0.00194 0.00419 -0.00013 -0.00014 175 3S -0.00168 0.00384 0.01169 -0.00297 -0.00195 176 3PX 0.00119 -0.00276 -0.00786 0.00075 0.00121 177 3PY -0.00056 0.00106 0.00162 -0.00101 -0.00018 178 3PZ -0.00056 0.00123 0.00324 -0.00051 -0.00078 179 4XX 0.00005 -0.00009 -0.00040 -0.00011 0.00014 180 4YY -0.00002 -0.00002 0.00002 0.00008 -0.00004 181 4ZZ -0.00000 -0.00004 -0.00002 0.00001 -0.00004 182 4XY 0.00013 -0.00027 -0.00072 0.00012 0.00006 183 4XZ -0.00004 0.00006 0.00020 0.00005 -0.00001 184 4YZ -0.00007 0.00012 0.00032 -0.00010 -0.00010 185 15 H 1S 0.00088 -0.00174 -0.00412 0.00069 0.00038 186 2S 0.00152 -0.00287 -0.00744 0.00126 0.00085 187 16 H 1S -0.00010 0.00003 0.00056 -0.00024 -0.00047 188 2S 0.00009 -0.00031 -0.00036 -0.00035 -0.00105 189 17 C 1S -0.00004 0.00010 -0.00024 -0.00031 0.00006 190 2S 0.00015 -0.00035 0.00039 0.00085 -0.00013 191 2PX -0.00030 0.00088 -0.00025 -0.00117 0.00050 192 2PY -0.00016 0.00061 0.00042 -0.00084 0.00016 193 2PZ 0.00035 -0.00079 -0.00083 0.00089 -0.00004 194 3S -0.00001 -0.00028 -0.00057 0.00042 0.00026 195 3PX -0.00008 0.00037 0.00023 -0.00055 0.00017 196 3PY -0.00003 0.00038 0.00083 -0.00016 0.00035 197 3PZ 0.00021 -0.00040 -0.00001 0.00064 0.00046 198 4XX -0.00008 0.00014 0.00015 -0.00011 0.00006 199 4YY 0.00003 -0.00006 -0.00006 0.00010 -0.00002 200 4ZZ 0.00002 -0.00005 -0.00010 -0.00004 -0.00000 201 4XY 0.00006 -0.00013 -0.00021 0.00002 0.00000 202 4XZ -0.00000 -0.00002 0.00004 0.00010 -0.00001 203 4YZ -0.00001 0.00002 0.00002 0.00002 0.00001 204 18 C 1S 0.00022 -0.00069 -0.00121 0.00062 0.00002 205 2S -0.00081 0.00151 0.00310 -0.00197 0.00010 206 2PX 0.00107 -0.00279 -0.00366 0.00267 -0.00054 207 2PY -0.00013 0.00031 0.00048 -0.00049 -0.00011 208 2PZ -0.00083 0.00184 0.00265 -0.00193 -0.00065 209 3S 0.00025 0.00089 0.00439 0.00145 -0.00005 210 3PX 0.00038 -0.00150 -0.00156 0.00153 -0.00002 211 3PY 0.00004 0.00037 0.00107 0.00039 -0.00135 212 3PZ -0.00045 0.00104 0.00085 -0.00075 -0.00202 213 4XX -0.00000 -0.00003 0.00004 0.00005 0.00001 214 4YY -0.00000 -0.00002 -0.00014 0.00000 0.00005 215 4ZZ -0.00005 0.00004 0.00008 -0.00009 -0.00000 216 4XY 0.00004 -0.00012 0.00002 0.00016 -0.00002 217 4XZ -0.00003 0.00002 -0.00002 -0.00013 0.00004 218 4YZ -0.00002 0.00009 0.00012 -0.00012 0.00004 219 19 H 1S 0.00001 0.00003 0.00011 -0.00032 0.00035 220 2S -0.00006 0.00035 -0.00066 -0.00109 -0.00167 221 20 H 1S -0.00025 0.00033 0.00031 -0.00029 -0.00026 222 2S 0.00001 -0.00023 -0.00179 -0.00013 0.00003 223 21 H 1S 0.00019 -0.00030 -0.00049 0.00029 0.00006 224 2S 0.00017 -0.00036 -0.00106 0.00002 -0.00014 225 22 H 1S -0.00040 0.00089 0.00096 -0.00062 0.00020 226 2S -0.00065 0.00153 0.00211 -0.00106 0.00015 227 23 H 1S -0.00018 0.00011 0.00198 -0.00030 -0.00351 228 2S -0.00071 0.00109 0.00123 -0.00360 -0.00705 229 24 H 1S 0.00012 0.00034 -0.00135 -0.00098 -0.00007 230 2S 0.00021 0.00040 -0.00181 -0.00066 -0.00095 231 25 H 1S 0.00236 -0.00416 -0.01059 0.00462 0.00058 232 2S 0.00259 -0.00474 -0.01675 0.00706 -0.00432 233 26 H 1S 0.00052 -0.00072 -0.00381 0.00149 0.00315 234 2S 0.00005 -0.00013 -0.00271 0.00251 0.00493 235 27 H 1S 0.00563 -0.01121 -0.01818 0.01582 -0.00464 236 2S 0.00253 -0.00520 -0.03013 -0.00051 0.00600 237 28 Br 1S -0.00006 0.00176 -0.00011 -0.00086 -0.00197 238 2S 0.00072 -0.00925 0.00068 0.00592 0.01170 239 3S -0.00129 0.00778 -0.00084 -0.00749 -0.01217 240 4S -0.00248 0.01225 -0.00045 -0.01230 -0.02059 241 5S 0.00255 -0.00652 -0.00013 0.01739 0.01426 242 6S 0.00258 0.00097 0.00174 -0.00530 0.01620 243 7PX -0.00200 0.00315 0.00238 -0.00470 -0.00166 244 7PY 0.00174 -0.00117 -0.00186 0.00286 0.00698 245 7PZ 0.00083 0.00152 0.00194 0.00195 0.00368 246 8PX 0.00543 -0.01335 -0.00732 0.01539 0.00689 247 8PY -0.00409 0.00799 0.00612 -0.01055 -0.02468 248 8PZ -0.00110 0.00127 -0.00564 -0.00763 -0.01378 249 9PX -0.00996 0.02650 0.01367 -0.02997 -0.01403 250 9PY 0.00710 -0.01686 -0.01216 0.02110 0.04786 251 9PZ 0.00153 -0.00508 0.01041 0.01641 0.02756 252 10PX -0.00857 0.02152 0.01637 -0.02911 -0.01432 253 10PY 0.00652 -0.01337 -0.00678 0.02102 0.04826 254 10PZ 0.00090 -0.00203 0.01240 0.00859 0.02551 255 11XX 0.00083 -0.00503 0.00024 0.00491 0.00544 256 11YY 0.00052 -0.00424 -0.00000 0.00371 0.00742 257 11ZZ 0.00013 -0.00337 0.00134 0.00145 0.00488 258 11XY -0.00064 0.00058 0.00213 -0.00154 -0.00136 259 11XZ -0.00046 -0.00002 0.00083 -0.00237 -0.00130 260 11YZ 0.00015 0.00075 0.00070 -0.00004 0.00144 261 12XX -0.00103 -0.00021 0.00151 -0.00098 0.00155 262 12YY 0.00046 -0.00328 0.00063 0.00504 0.00018 263 12ZZ 0.00072 -0.00396 -0.00080 0.01039 0.00487 264 12XY 0.00077 -0.00170 -0.00537 0.00389 0.00415 265 12XZ 0.00023 -0.00045 -0.00051 0.00482 0.00423 266 12YZ 0.00070 -0.00118 -0.00180 0.00206 -0.00173 267 29 C 1S -0.00095 0.00142 0.00345 0.00420 0.00659 268 2S 0.00165 -0.00263 -0.00713 -0.00899 -0.01637 269 2PX -0.00424 0.01156 0.01139 0.01862 0.02362 270 2PY -0.00069 0.00018 0.00655 0.00273 0.01258 271 2PZ 0.00122 -0.00115 0.00393 -0.00182 0.00341 272 3S 0.00115 -0.00275 -0.00908 -0.01036 -0.01375 273 3PX -0.00243 0.00651 0.00799 0.00887 0.00620 274 3PY 0.00141 -0.00238 -0.00379 -0.00832 -0.00451 275 3PZ 0.00065 -0.00066 0.00254 -0.00267 -0.00132 276 4XX -0.00016 -0.00001 0.00080 0.00053 0.00030 277 4YY 0.00007 -0.00045 -0.00058 0.00002 0.00067 278 4ZZ -0.00015 0.00030 -0.00024 0.00014 -0.00074 279 4XY -0.00015 0.00009 -0.00011 0.00159 0.00254 280 4XZ 0.00017 -0.00054 -0.00152 0.00030 0.00042 281 4YZ 0.00015 -0.00044 -0.00068 -0.00051 -0.00032 282 30 H 1S 0.00218 -0.00594 -0.00261 -0.00992 -0.01205 283 2S -0.00071 -0.00035 0.00778 -0.00008 -0.00267 284 31 H 1S 0.00068 0.00080 -0.00126 -0.00064 -0.00420 285 2S 0.00030 0.00055 -0.00295 0.00172 0.00034 286 32 H 1S -0.00123 0.00282 0.00335 0.00807 0.01423 287 2S -0.00053 0.00073 0.00264 0.01111 0.02453 288 33 H 1S 0.00054 0.00147 0.00069 -0.00081 -0.00276 289 2S 0.00043 0.00001 0.00049 0.00016 0.00070 290 34 H 1S -0.00113 0.00095 0.00252 0.00017 -0.00371 291 2S -0.00077 -0.00102 0.00081 -0.00210 -0.00479 292 35 H 1S 0.00315 -0.00694 0.00528 -0.01293 0.00330 293 2S 0.00242 -0.00628 0.00552 -0.00811 0.01042 294 36 H 1S -0.00811 0.01823 -0.01461 0.02522 -0.02338 295 2S -0.00828 0.02087 -0.01851 0.03999 -0.03490 296 37 H 1S 0.00805 -0.02154 0.01371 -0.00207 0.03150 297 2S 0.01028 -0.02453 0.01724 0.00285 0.06478 298 38 H 1S 0.00991 -0.02038 0.02147 -0.01751 0.01264 299 2S 0.01129 -0.02155 0.03971 -0.03049 0.01920 300 39 H 1S -0.05223 0.09806 -0.01071 0.15310 0.21566 301 2S -0.00219 0.01259 -0.00892 0.11753 0.16145 302 40 H 1S -0.05488 0.10529 -0.13548 -0.22873 0.04716 303 2S -0.00673 0.02044 -0.10271 -0.17391 0.03726 6 7 8 9 10 6 3S 0.33203 7 3PX -0.00520 0.07074 8 3PY 0.00302 0.00058 0.10138 9 3PZ -0.00417 0.01478 -0.00521 0.10725 10 4XX -0.00690 0.00495 -0.00281 -0.00245 0.00157 11 4YY 0.00144 -0.00453 -0.00524 0.00178 -0.00035 12 4ZZ -0.00031 -0.00085 0.00692 0.00389 -0.00065 13 4XY 0.00480 -0.00284 -0.00514 0.00347 -0.00050 14 4XZ -0.00141 -0.00073 0.00320 -0.00001 -0.00012 15 4YZ 0.00186 0.00330 0.00490 0.00761 -0.00014 16 2 C 1S 0.00792 0.00328 -0.00566 0.00942 0.00058 17 2S -0.00077 -0.01292 0.01753 -0.02881 -0.00219 18 2PX 0.10053 -0.00410 0.02401 -0.05044 -0.01156 19 2PY -0.06214 0.03501 -0.03415 0.06290 0.00293 20 2PZ 0.10227 -0.06805 0.07566 -0.09500 -0.00144 21 3S -0.03208 -0.00259 0.00650 -0.01399 -0.00125 22 3PX 0.03619 -0.00364 0.00755 -0.02045 -0.00554 23 3PY -0.01248 0.01349 -0.01541 0.01831 0.00122 24 3PZ 0.02707 -0.03004 0.02739 -0.03814 -0.00040 25 4XX -0.00495 0.00207 -0.00035 0.00081 0.00078 26 4YY 0.00131 -0.00023 -0.00421 -0.00076 -0.00010 27 4ZZ 0.00588 -0.00147 0.00321 0.00219 -0.00051 28 4XY -0.00308 0.00086 -0.00180 0.00376 -0.00038 29 4XZ 0.00680 0.00048 0.00308 -0.00278 -0.00027 30 4YZ -0.01089 0.00425 -0.00085 0.00450 0.00030 31 3 C 1S 0.00450 -0.00091 0.00788 -0.00354 0.00059 32 2S -0.00229 0.00525 -0.01326 0.00754 -0.00138 33 2PX -0.02036 -0.00066 0.00822 0.00605 0.00210 34 2PY 0.02533 -0.01859 0.02401 -0.03642 0.00383 35 2PZ -0.04591 0.02799 -0.02267 0.01239 -0.00119 36 3S 0.00623 0.00152 -0.02112 0.00698 -0.00166 37 3PX -0.00616 0.00342 0.00691 -0.00174 0.00081 38 3PY 0.01112 -0.00709 0.01427 -0.02107 0.00178 39 3PZ -0.02608 0.01286 -0.01215 0.00562 -0.00028 40 4XX -0.00331 0.00037 -0.00135 0.00258 0.00030 41 4YY 0.00061 0.00029 0.00030 -0.00112 -0.00024 42 4ZZ 0.00310 -0.00127 0.00217 -0.00241 0.00004 43 4XY -0.00106 0.00175 -0.00138 0.00121 -0.00008 44 4XZ 0.00136 -0.00054 0.00046 0.00006 -0.00005 45 4YZ -0.00467 0.00223 -0.00308 0.00266 0.00014 46 4 C 1S 0.00787 0.00211 0.00098 -0.00452 -0.00005 47 2S -0.02233 -0.00726 -0.00407 0.01224 0.00028 48 2PX 0.02811 0.00071 0.00266 -0.01590 -0.00183 49 2PY 0.02996 0.01754 -0.00389 -0.00776 0.00086 50 2PZ -0.01619 -0.00883 0.00202 0.01894 -0.00124 51 3S -0.03686 -0.00887 -0.01300 0.01217 0.00084 52 3PX 0.01601 0.00002 -0.00155 -0.01081 -0.00141 53 3PY 0.01501 0.00728 0.00005 0.00019 0.00055 54 3PZ -0.01211 -0.00398 -0.00292 0.01314 -0.00090 55 4XX 0.00181 0.00128 -0.00039 0.00052 -0.00011 56 4YY 0.00105 0.00000 0.00032 -0.00034 0.00005 57 4ZZ -0.00133 -0.00112 0.00048 -0.00052 0.00001 58 4XY 0.00053 0.00068 -0.00063 0.00008 -0.00010 59 4XZ 0.00141 -0.00095 0.00065 -0.00055 -0.00003 60 4YZ -0.00063 0.00085 -0.00043 -0.00029 0.00004 61 5 C 1S 0.01123 0.00902 -0.00007 -0.00106 -0.00058 62 2S -0.00508 -0.01217 -0.00125 0.00295 0.00041 63 2PX 0.06754 0.05215 -0.00892 -0.01395 -0.00225 64 2PY 0.00701 0.00094 0.00580 -0.01600 -0.00207 65 2PZ -0.01354 -0.01248 -0.00298 -0.01699 0.00170 66 3S 0.00776 -0.02619 -0.01891 -0.00949 0.00003 67 3PX 0.02467 0.01994 -0.00014 -0.00123 -0.00114 68 3PY 0.00675 0.00449 0.01534 -0.00592 -0.00016 69 3PZ -0.01043 -0.00804 -0.01185 -0.01870 0.00073 70 4XX 0.00129 0.00335 0.00015 0.00044 0.00028 71 4YY -0.00063 -0.00166 0.00051 0.00068 -0.00009 72 4ZZ -0.00083 -0.00040 -0.00013 -0.00102 -0.00008 73 4XY -0.00184 -0.00155 0.00005 -0.00003 0.00035 74 4XZ -0.00121 -0.00172 0.00007 0.00093 -0.00023 75 4YZ 0.00182 0.00113 -0.00004 -0.00155 -0.00009 76 6 C 1S 0.00893 -0.01137 -0.00066 0.00417 -0.00762 77 2S -0.00696 0.03253 -0.00606 -0.01077 0.01429 78 2PX -0.11470 -0.12346 0.02901 0.03859 -0.01096 79 2PY 0.02896 0.02706 0.00457 0.00663 0.00441 80 2PZ 0.00675 0.03140 -0.00688 0.02364 0.00227 81 3S -0.05422 0.03186 0.01221 -0.01342 0.01611 82 3PX -0.00759 -0.02930 0.01041 0.02271 -0.00486 83 3PY 0.00096 0.00491 0.00984 0.01166 0.00046 84 3PZ -0.00202 0.01442 -0.00474 0.00505 0.00186 85 4XX 0.01398 0.00259 -0.00355 -0.00252 0.00002 86 4YY -0.00677 -0.00464 0.00373 0.00061 -0.00052 87 4ZZ -0.00277 -0.00105 0.00064 0.00322 -0.00060 88 4XY -0.00407 -0.00154 -0.00564 0.00061 0.00016 89 4XZ -0.00259 -0.00226 0.00055 -0.00662 -0.00005 90 4YZ 0.00230 0.00202 0.00168 0.00136 -0.00015 91 7 C 1S 0.01468 0.00662 -0.00594 -0.00038 0.00006 92 2S -0.02132 -0.01119 0.01369 -0.00194 -0.00054 93 2PX 0.06819 0.02275 -0.01943 -0.01157 0.00033 94 2PY -0.03342 -0.03200 0.00545 -0.00423 0.00076 95 2PZ -0.00588 0.01069 -0.01497 -0.00409 0.00124 96 3S -0.01702 -0.02347 0.03366 -0.00441 -0.00357 97 3PX 0.02760 0.00544 0.00151 -0.00358 0.00025 98 3PY -0.00987 -0.01993 -0.00032 0.00085 -0.00131 99 3PZ -0.00992 0.00526 -0.00410 -0.00225 0.00079 100 4XX 0.00242 0.00289 -0.00153 -0.00099 0.00013 101 4YY -0.00262 -0.00142 0.00031 0.00029 0.00020 102 4ZZ 0.00050 -0.00043 0.00170 0.00145 -0.00023 103 4XY -0.00059 -0.00164 0.00102 0.00015 -0.00041 104 4XZ 0.00021 -0.00007 0.00099 -0.00128 0.00000 105 4YZ 0.00304 0.00217 -0.00086 -0.00024 0.00008 106 8 C 1S -0.00189 -0.00182 0.00198 0.00147 -0.00003 107 2S 0.00457 0.00485 -0.00276 -0.00313 0.00014 108 2PX -0.04357 -0.02055 0.01123 0.01119 -0.00077 109 2PY 0.02550 0.01463 -0.00930 -0.00476 0.00032 110 2PZ -0.00567 -0.00800 0.00670 0.00481 -0.00040 111 3S 0.00043 0.01008 -0.02078 -0.00434 0.00107 112 3PX -0.02129 -0.01450 0.01387 0.00603 -0.00098 113 3PY 0.01196 0.00683 -0.00620 -0.00550 0.00044 114 3PZ -0.00348 -0.00742 0.00815 0.00019 -0.00057 115 4XX 0.00144 0.00094 -0.00058 -0.00047 0.00003 116 4YY -0.00257 -0.00109 0.00073 0.00023 -0.00002 117 4ZZ -0.00038 -0.00048 0.00069 0.00074 -0.00003 118 4XY 0.00069 0.00098 -0.00021 0.00028 0.00002 119 4XZ 0.00095 0.00012 0.00010 0.00000 -0.00001 120 4YZ -0.00073 -0.00027 0.00011 -0.00003 0.00003 121 9 C 1S 0.00059 -0.00051 -0.00009 -0.00028 0.00006 122 2S 0.00013 0.00127 0.00019 0.00071 -0.00012 123 2PX 0.00162 -0.00480 0.00056 -0.00008 -0.00003 124 2PY -0.00539 -0.00832 0.00767 -0.00003 -0.00013 125 2PZ -0.00352 0.00136 0.00117 -0.00237 0.00025 126 3S -0.00446 -0.00071 0.00376 -0.00122 -0.00016 127 3PX 0.00530 0.00069 -0.00343 0.00154 0.00015 128 3PY -0.00642 -0.00695 0.00392 -0.00048 -0.00025 129 3PZ 0.00172 0.00364 -0.00118 0.00100 0.00011 130 4XX 0.00222 0.00150 -0.00074 -0.00021 0.00003 131 4YY -0.00126 -0.00055 0.00013 0.00035 -0.00001 132 4ZZ -0.00082 -0.00082 0.00050 -0.00005 0.00001 133 4XY -0.00077 -0.00051 0.00011 -0.00009 0.00001 134 4XZ 0.00011 0.00013 0.00027 -0.00016 -0.00000 135 4YZ 0.00082 0.00039 -0.00003 -0.00026 0.00002 136 10 C 1S -0.00278 -0.00502 0.00028 0.00153 -0.00002 137 2S 0.00691 0.01047 -0.00025 -0.00248 -0.00001 138 2PX -0.05468 -0.04563 0.00736 0.00584 0.00013 139 2PY -0.00433 0.00309 -0.00557 0.00423 0.00010 140 2PZ 0.01657 0.01389 -0.00294 0.00644 -0.00050 141 3S 0.01176 0.02688 0.00258 -0.00589 0.00106 142 3PX -0.02418 -0.02372 0.00053 0.00361 -0.00011 143 3PY -0.00657 0.00426 -0.00253 -0.00314 0.00078 144 3PZ 0.01127 0.00991 -0.00078 0.00747 -0.00004 145 4XX 0.00042 0.00014 -0.00020 0.00056 -0.00001 146 4YY -0.00059 -0.00038 -0.00018 -0.00016 0.00002 147 4ZZ -0.00056 -0.00036 0.00031 -0.00055 0.00003 148 4XY -0.00212 -0.00150 0.00011 0.00045 0.00004 149 4XZ -0.00041 -0.00038 0.00033 -0.00006 -0.00001 150 4YZ 0.00101 0.00071 0.00015 -0.00079 0.00002 151 11 C 1S 0.00521 0.00306 -0.00032 -0.00082 -0.00009 152 2S -0.00754 -0.00436 -0.00061 0.00156 0.00023 153 2PX 0.03008 0.01875 0.00096 -0.00462 -0.00038 154 2PY 0.01864 0.01328 -0.00164 -0.00421 0.00009 155 2PZ -0.00712 -0.00448 -0.00069 -0.00235 0.00009 156 3S -0.00876 -0.01032 -0.00081 0.00714 -0.00025 157 3PX 0.01210 0.00988 0.00274 -0.00402 -0.00001 158 3PY 0.00892 0.00817 -0.00146 -0.00420 0.00027 159 3PZ -0.00298 -0.00291 -0.00164 -0.00097 -0.00011 160 4XX 0.00107 0.00097 -0.00015 -0.00008 -0.00001 161 4YY -0.00084 -0.00075 0.00023 -0.00004 0.00000 162 4ZZ 0.00030 0.00025 -0.00004 -0.00004 0.00001 163 4XY -0.00104 -0.00065 -0.00001 -0.00012 0.00002 164 4XZ -0.00019 -0.00023 -0.00001 -0.00025 0.00002 165 4YZ 0.00105 0.00073 -0.00005 -0.00049 0.00000 166 12 H 1S -0.00108 -0.00083 -0.00059 0.00154 0.00009 167 2S -0.00099 -0.00151 -0.00006 0.00157 -0.00012 168 13 H 1S 0.00494 0.00326 -0.00063 -0.00306 0.00011 169 2S 0.00507 0.00261 0.00055 -0.00375 0.00006 170 14 C 1S -0.00218 -0.00199 0.00008 -0.00008 -0.00000 171 2S 0.00549 0.00411 -0.00011 0.00013 -0.00007 172 2PX -0.01524 -0.01057 -0.00088 0.00041 0.00028 173 2PY 0.00482 0.00237 0.00019 0.00026 0.00004 174 2PZ 0.00540 0.00364 0.00046 -0.00009 -0.00009 175 3S 0.00975 0.00832 -0.00266 -0.00032 0.00001 176 3PX -0.00907 -0.00684 -0.00012 0.00088 0.00011 177 3PY 0.00363 0.00199 -0.00104 0.00013 -0.00002 178 3PZ 0.00374 0.00262 -0.00012 -0.00101 -0.00003 179 4XX -0.00055 -0.00050 -0.00001 0.00018 0.00001 180 4YY 0.00017 0.00013 -0.00001 -0.00005 0.00000 181 4ZZ -0.00009 0.00003 -0.00001 -0.00008 -0.00000 182 4XY -0.00102 -0.00074 0.00005 0.00005 0.00001 183 4XZ 0.00011 0.00014 -0.00000 -0.00001 -0.00000 184 4YZ 0.00061 0.00041 -0.00003 -0.00016 -0.00001 185 15 H 1S -0.00548 -0.00418 -0.00024 0.00064 0.00014 186 2S -0.00881 -0.00688 0.00048 0.00084 0.00010 187 16 H 1S 0.00062 0.00098 -0.00029 -0.00070 -0.00003 188 2S 0.00066 0.00072 -0.00014 -0.00196 -0.00003 189 17 C 1S 0.00022 -0.00030 0.00023 -0.00003 -0.00002 190 2S -0.00072 0.00067 -0.00024 0.00016 0.00002 191 2PX 0.00248 -0.00104 -0.00059 0.00056 -0.00007 192 2PY -0.00094 -0.00111 -0.00024 -0.00013 -0.00003 193 2PZ -0.00111 0.00030 0.00040 -0.00042 0.00002 194 3S -0.00237 0.00045 -0.00094 0.00166 -0.00001 195 3PX 0.00143 -0.00057 -0.00032 0.00019 -0.00001 196 3PY -0.00051 -0.00076 0.00045 0.00009 0.00002 197 3PZ -0.00112 0.00003 0.00034 0.00047 0.00002 198 4XX 0.00052 0.00018 -0.00005 0.00003 -0.00001 199 4YY -0.00015 -0.00005 0.00009 -0.00002 0.00000 200 4ZZ -0.00022 -0.00013 -0.00006 -0.00002 0.00000 201 4XY -0.00040 -0.00017 0.00001 -0.00003 0.00001 202 4XZ -0.00008 0.00004 0.00009 -0.00004 -0.00001 203 4YZ 0.00016 0.00004 0.00006 -0.00004 -0.00001 204 18 C 1S -0.00109 -0.00092 0.00089 0.00002 -0.00001 205 2S 0.00452 0.00288 -0.00172 -0.00014 0.00005 206 2PX -0.00887 -0.00300 0.00242 -0.00006 0.00014 207 2PY 0.00306 0.00190 -0.00158 0.00004 0.00004 208 2PZ 0.00342 0.00190 -0.00374 0.00081 0.00008 209 3S 0.00567 0.00448 -0.00121 -0.00119 -0.00002 210 3PX -0.00442 -0.00201 0.00181 -0.00015 0.00011 211 3PY 0.00305 0.00153 -0.00067 -0.00088 0.00008 212 3PZ 0.00240 0.00131 -0.00216 -0.00097 0.00003 213 4XX 0.00015 0.00013 -0.00021 0.00011 -0.00000 214 4YY -0.00024 -0.00021 0.00015 0.00001 -0.00000 215 4ZZ -0.00000 0.00002 0.00005 -0.00007 0.00000 216 4XY -0.00022 0.00016 0.00002 -0.00002 0.00001 217 4XZ -0.00007 -0.00015 0.00005 -0.00000 0.00000 218 4YZ 0.00028 0.00008 0.00013 -0.00011 -0.00000 219 19 H 1S -0.00000 -0.00035 0.00176 -0.00084 -0.00004 220 2S 0.00007 -0.00104 0.00160 -0.00170 0.00006 221 20 H 1S -0.00095 -0.00053 -0.00068 0.00042 0.00004 222 2S -0.00273 -0.00256 0.00013 0.00076 -0.00002 223 21 H 1S -0.00101 -0.00041 0.00016 -0.00025 -0.00002 224 2S -0.00059 -0.00046 0.00045 -0.00104 -0.00005 225 22 H 1S 0.00325 0.00079 -0.00058 0.00048 -0.00004 226 2S 0.00499 0.00168 -0.00052 0.00021 -0.00007 227 23 H 1S 0.00195 0.00111 0.00254 -0.00667 0.00030 228 2S 0.00003 -0.00148 0.00083 -0.00719 0.00059 229 24 H 1S -0.00364 -0.00328 0.00411 -0.00168 0.00004 230 2S -0.00389 -0.00414 0.00433 -0.00295 0.00015 231 25 H 1S -0.02191 -0.01082 0.00512 0.00153 -0.00018 232 2S -0.01935 -0.01273 0.00529 -0.00171 -0.00016 233 26 H 1S -0.00422 -0.00530 0.00427 0.00400 -0.00032 234 2S -0.00040 -0.00338 0.00334 0.00627 -0.00024 235 27 H 1S -0.02419 -0.00420 0.00426 0.00673 -0.00077 236 2S -0.01158 -0.00896 -0.00383 0.01178 -0.00113 237 28 Br 1S -0.00342 -0.00254 0.00298 0.00510 0.00012 238 2S 0.01475 0.01232 -0.01354 -0.02316 -0.00063 239 3S -0.00702 -0.00867 0.00780 0.01339 0.00058 240 4S -0.00900 -0.01302 0.01137 0.01895 0.00098 241 5S -0.01128 -0.00051 0.00898 0.00829 -0.00040 242 6S -0.00392 0.00541 -0.00652 0.00899 -0.00057 243 7PX 0.01300 0.00361 -0.00946 0.00258 0.00053 244 7PY -0.01263 -0.00062 0.01292 0.01307 0.00031 245 7PZ -0.01761 -0.00555 0.00797 0.00752 0.00044 246 8PX -0.02588 -0.00425 0.01569 -0.01843 -0.00168 247 8PY 0.02150 0.00322 -0.01615 -0.02532 0.00172 248 8PZ 0.00597 0.00128 -0.01481 -0.00090 0.00055 249 9PX 0.04347 0.00524 -0.02470 0.03752 0.00306 250 9PY -0.03399 -0.00654 0.02109 0.04161 -0.00401 251 9PZ 0.00570 0.00374 0.02413 -0.00609 -0.00160 252 10PX 0.03314 0.00587 -0.02250 0.02908 0.00288 253 10PY -0.02549 -0.00128 0.01720 0.03750 -0.00350 254 10PZ 0.00665 0.00601 0.01467 -0.00314 -0.00106 255 11XX 0.00398 0.00480 -0.00396 -0.00874 -0.00035 256 11YY 0.00712 0.00535 -0.00473 -0.01062 -0.00033 257 11ZZ 0.00515 0.00554 -0.00705 -0.00763 -0.00020 258 11XY 0.00109 0.00037 -0.00193 -0.00332 -0.00008 259 11XZ 0.00382 0.00101 -0.00204 -0.00394 0.00003 260 11YZ -0.00158 0.00036 0.00078 0.00283 0.00016 261 12XX 0.00451 0.00228 -0.00302 -0.00272 0.00007 262 12YY -0.00184 0.00037 0.00125 -0.00234 -0.00000 263 12ZZ -0.00108 0.00022 0.00473 -0.00183 -0.00036 264 12XY -0.00066 -0.00212 0.00195 0.00275 -0.00023 265 12XZ 0.00178 0.00026 0.00226 0.00286 -0.00018 266 12YZ -0.00297 -0.00232 0.00278 -0.00037 -0.00011 267 29 C 1S 0.00374 0.00176 0.00127 0.00657 -0.00010 268 2S -0.00461 -0.00390 -0.00334 -0.01472 -0.00007 269 2PX 0.00279 -0.00750 0.00167 0.03147 -0.00022 270 2PY 0.01238 0.00880 0.00588 0.01693 0.00004 271 2PZ -0.01165 0.00600 -0.00628 0.00645 0.00031 272 3S -0.00440 -0.00474 -0.00301 -0.01442 -0.00049 273 3PX 0.00078 -0.00346 0.00132 0.01370 0.00017 274 3PY 0.00400 -0.00006 -0.00212 0.00358 0.00035 275 3PZ -0.00393 0.00208 -0.00373 0.00184 0.00043 276 4XX 0.00033 0.00081 0.00057 0.00021 0.00002 277 4YY -0.00039 -0.00033 -0.00015 0.00067 0.00008 278 4ZZ -0.00007 -0.00043 -0.00021 -0.00041 -0.00007 279 4XY -0.00049 -0.00108 0.00074 0.00216 0.00005 280 4XZ -0.00182 -0.00144 0.00006 0.00027 0.00001 281 4YZ 0.00052 0.00004 0.00012 -0.00082 0.00002 282 30 H 1S 0.00180 0.01014 -0.00037 -0.01550 -0.00003 283 2S 0.00688 0.01505 0.00255 -0.00694 -0.00011 284 31 H 1S -0.01203 -0.00395 -0.00552 -0.00148 -0.00006 285 2S -0.01032 -0.00435 -0.00362 0.00225 -0.00030 286 32 H 1S 0.00390 -0.00267 0.00380 0.01753 0.00003 287 2S 0.00066 -0.00157 0.00499 0.02061 0.00012 288 33 H 1S -0.01238 -0.00340 -0.00139 -0.00446 0.00051 289 2S -0.01028 -0.00063 -0.00054 -0.00375 0.00021 290 34 H 1S 0.01658 0.00772 -0.00449 -0.00424 -0.00018 291 2S 0.01460 0.00702 -0.00474 -0.00295 -0.00045 292 35 H 1S -0.01362 0.00938 -0.00752 -0.00477 0.00041 293 2S -0.01454 0.00961 -0.00561 -0.00018 0.00037 294 36 H 1S 0.04172 -0.02226 0.01912 -0.02194 0.00019 295 2S 0.03730 -0.02314 0.02572 -0.02564 -0.00009 296 37 H 1S -0.03736 0.01959 -0.01385 0.02459 -0.00102 297 2S -0.03214 0.01973 -0.00702 0.03367 -0.00135 298 38 H 1S -0.05727 -0.00125 -0.00318 0.01252 0.00724 299 2S -0.04616 0.00661 -0.00771 0.01230 0.00681 300 39 H 1S 0.10622 0.01087 0.07117 0.10594 -0.00827 301 2S 0.01773 0.01007 0.05431 0.07689 -0.00614 302 40 H 1S 0.10916 -0.05051 -0.11289 0.02377 -0.00391 303 2S 0.02267 -0.03735 -0.08568 0.01785 -0.00233 11 12 13 14 15 11 4YY 0.00112 12 4ZZ -0.00013 0.00137 13 4XY 0.00055 0.00000 0.00098 14 4XZ -0.00020 0.00038 -0.00029 0.00047 15 4YZ -0.00046 0.00064 -0.00005 0.00013 0.00125 16 2 C 1S -0.00039 -0.00287 0.00216 -0.00278 0.00387 17 2S 0.00019 0.00432 -0.00409 0.00497 -0.00728 18 2PX 0.00217 0.00473 0.00405 -0.00387 -0.00585 19 2PY 0.00877 -0.00807 0.00010 -0.00550 -0.00274 20 2PZ 0.00207 -0.00594 -0.00601 0.00133 -0.00588 21 3S -0.00012 0.00434 -0.00409 0.00500 -0.00720 22 3PX 0.00099 0.00263 0.00213 -0.00174 -0.00270 23 3PY 0.00412 -0.00422 -0.00001 -0.00280 -0.00183 24 3PZ 0.00149 -0.00296 -0.00283 0.00075 -0.00282 25 4XX -0.00000 -0.00066 -0.00044 -0.00006 -0.00005 26 4YY 0.00024 -0.00013 0.00040 -0.00024 -0.00017 27 4ZZ -0.00026 0.00071 0.00019 0.00024 0.00057 28 4XY 0.00033 0.00023 0.00038 -0.00016 0.00001 29 4XZ -0.00032 0.00030 -0.00003 0.00006 0.00010 30 4YZ -0.00046 0.00053 -0.00008 0.00029 0.00050 31 3 C 1S -0.00157 0.00006 -0.00044 0.00067 0.00105 32 2S 0.00286 -0.00063 0.00118 -0.00156 -0.00219 33 2PX -0.00320 -0.00003 -0.00079 0.00184 0.00289 34 2PY -0.00614 0.00032 -0.00163 0.00308 0.00629 35 2PZ 0.00372 -0.00085 0.00179 -0.00079 -0.00276 36 3S 0.00377 -0.00167 0.00210 -0.00197 -0.00217 37 3PX -0.00170 0.00025 -0.00073 0.00111 0.00097 38 3PY -0.00342 0.00065 -0.00123 0.00145 0.00247 39 3PZ 0.00168 -0.00063 0.00114 -0.00053 -0.00131 40 4XX 0.00005 -0.00020 -0.00010 0.00003 0.00005 41 4YY -0.00004 0.00029 0.00005 0.00006 -0.00015 42 4ZZ -0.00020 0.00003 -0.00011 0.00010 0.00020 43 4XY 0.00019 0.00007 0.00004 -0.00001 -0.00023 44 4XZ -0.00018 0.00016 0.00005 0.00000 0.00022 45 4YZ -0.00001 0.00004 0.00024 0.00003 0.00026 46 4 C 1S -0.00016 0.00006 0.00003 0.00001 -0.00004 47 2S 0.00050 -0.00014 -0.00036 0.00036 0.00031 48 2PX 0.00041 0.00132 -0.00022 -0.00014 -0.00040 49 2PY -0.00070 -0.00075 0.00058 -0.00024 -0.00036 50 2PZ 0.00051 0.00057 -0.00035 -0.00051 0.00034 51 3S 0.00131 -0.00110 -0.00105 0.00055 -0.00046 52 3PX 0.00079 0.00048 0.00014 -0.00000 -0.00090 53 3PY -0.00032 -0.00032 0.00022 0.00010 0.00019 54 3PZ 0.00040 0.00068 -0.00021 0.00003 0.00036 55 4XX 0.00007 -0.00001 -0.00005 -0.00004 -0.00007 56 4YY -0.00010 0.00007 0.00009 -0.00007 0.00008 57 4ZZ 0.00003 0.00001 0.00003 0.00010 0.00001 58 4XY 0.00013 0.00001 0.00014 -0.00012 -0.00020 59 4XZ -0.00007 0.00004 -0.00014 0.00007 0.00009 60 4YZ 0.00000 -0.00003 -0.00008 0.00014 0.00005 61 5 C 1S -0.00034 -0.00033 -0.00118 0.00041 0.00014 62 2S 0.00044 0.00044 0.00215 -0.00075 -0.00017 63 2PX -0.00018 0.00002 -0.00509 0.00227 0.00081 64 2PY 0.00040 -0.00050 -0.00444 0.00290 0.00028 65 2PZ 0.00068 -0.00144 0.00290 0.00105 -0.00190 66 3S 0.00241 -0.00185 0.00205 -0.00031 -0.00204 67 3PX -0.00052 0.00117 -0.00206 0.00108 0.00060 68 3PY -0.00128 0.00042 -0.00208 0.00046 0.00086 69 3PZ 0.00144 -0.00200 0.00126 -0.00019 -0.00259 70 4XX -0.00029 -0.00011 -0.00016 -0.00014 0.00014 71 4YY 0.00011 0.00010 0.00006 -0.00003 -0.00003 72 4ZZ 0.00007 0.00001 -0.00008 0.00021 -0.00001 73 4XY -0.00012 -0.00009 0.00024 -0.00024 -0.00006 74 4XZ 0.00011 0.00011 -0.00007 -0.00003 0.00003 75 4YZ 0.00001 -0.00006 -0.00008 0.00000 0.00000 76 6 C 1S 0.00252 0.00278 0.00211 0.00134 0.00004 77 2S -0.00566 -0.00663 -0.00431 -0.00231 -0.00038 78 2PX 0.00814 0.00963 0.00761 0.00322 -0.00198 79 2PY -0.00487 -0.00082 0.00747 -0.00372 0.00131 80 2PZ -0.00096 -0.00076 -0.00371 0.00611 0.00131 81 3S -0.00822 -0.00587 -0.00555 -0.00314 0.00097 82 3PX 0.00229 0.00466 0.00405 0.00047 0.00050 83 3PY -0.00189 0.00149 0.00260 -0.00011 0.00052 84 3PZ -0.00082 -0.00074 -0.00155 0.00370 0.00036 85 4XX -0.00000 -0.00038 0.00026 -0.00014 -0.00022 86 4YY 0.00028 0.00048 -0.00008 0.00022 0.00008 87 4ZZ 0.00019 0.00046 0.00019 0.00007 0.00026 88 4XY 0.00039 -0.00038 0.00061 -0.00033 -0.00028 89 4XZ 0.00002 -0.00012 -0.00026 0.00016 -0.00052 90 4YZ -0.00008 0.00018 -0.00000 -0.00015 0.00049 91 7 C 1S -0.00048 -0.00075 0.00129 -0.00103 0.00017 92 2S 0.00073 0.00135 -0.00270 0.00195 -0.00036 93 2PX -0.00143 -0.00103 0.00426 -0.00205 0.00062 94 2PY 0.00158 0.00028 -0.00531 0.00440 -0.00162 95 2PZ -0.00103 -0.00163 0.00090 0.00095 -0.00206 96 3S 0.00055 0.00395 -0.00248 0.00381 -0.00115 97 3PX -0.00139 0.00049 0.00128 -0.00039 0.00080 98 3PY 0.00167 0.00042 -0.00165 0.00205 -0.00140 99 3PZ -0.00093 -0.00039 -0.00035 0.00049 -0.00059 100 4XX -0.00013 -0.00021 0.00002 -0.00014 0.00007 101 4YY -0.00002 -0.00003 -0.00007 0.00020 -0.00013 102 4ZZ 0.00002 0.00025 0.00011 -0.00020 0.00024 103 4XY 0.00013 0.00027 0.00038 -0.00006 -0.00002 104 4XZ 0.00000 0.00001 -0.00016 -0.00011 0.00016 105 4YZ -0.00010 -0.00008 0.00011 0.00006 0.00005 106 8 C 1S 0.00014 0.00022 -0.00026 0.00024 -0.00012 107 2S -0.00046 -0.00033 0.00044 -0.00050 0.00033 108 2PX 0.00114 0.00102 -0.00159 0.00109 -0.00037 109 2PY -0.00031 -0.00035 0.00069 -0.00063 -0.00003 110 2PZ 0.00037 0.00065 -0.00032 -0.00014 0.00029 111 3S 0.00064 -0.00250 0.00057 -0.00164 -0.00004 112 3PX 0.00010 0.00170 -0.00068 0.00102 0.00013 113 3PY -0.00017 -0.00049 0.00060 -0.00038 -0.00018 114 3PZ 0.00029 0.00067 -0.00019 -0.00007 0.00031 115 4XX -0.00003 -0.00003 0.00007 -0.00002 -0.00001 116 4YY 0.00003 0.00003 -0.00009 0.00009 -0.00002 117 4ZZ 0.00001 0.00007 -0.00005 -0.00003 0.00007 118 4XY -0.00004 -0.00002 0.00010 -0.00012 0.00004 119 4XZ 0.00001 0.00002 0.00004 -0.00003 0.00004 120 4YZ -0.00001 -0.00002 0.00001 0.00003 -0.00002 121 9 C 1S 0.00002 0.00002 0.00007 0.00008 -0.00006 122 2S -0.00010 -0.00007 -0.00005 -0.00021 0.00008 123 2PX 0.00013 0.00027 0.00034 0.00030 -0.00006 124 2PY -0.00002 0.00005 0.00004 -0.00003 0.00009 125 2PZ 0.00007 -0.00013 0.00054 0.00007 -0.00026 126 3S -0.00022 0.00011 -0.00034 -0.00029 0.00018 127 3PX 0.00021 -0.00022 0.00042 -0.00017 -0.00006 128 3PY 0.00006 0.00023 -0.00004 0.00011 0.00001 129 3PZ 0.00005 -0.00015 0.00041 0.00003 -0.00019 130 4XX -0.00003 -0.00003 -0.00001 -0.00002 0.00002 131 4YY 0.00001 0.00001 -0.00002 0.00000 -0.00000 132 4ZZ 0.00002 0.00000 0.00004 0.00001 -0.00002 133 4XY 0.00001 -0.00001 0.00006 -0.00001 -0.00002 134 4XZ -0.00001 -0.00001 -0.00003 0.00003 -0.00000 135 4YZ -0.00001 -0.00002 0.00002 0.00002 -0.00001 136 10 C 1S 0.00009 0.00002 0.00041 -0.00011 -0.00011 137 2S -0.00034 -0.00021 -0.00086 0.00027 0.00021 138 2PX 0.00074 0.00018 0.00228 -0.00054 -0.00072 139 2PY -0.00022 0.00014 -0.00010 -0.00038 0.00032 140 2PZ -0.00032 0.00026 -0.00124 -0.00057 0.00075 141 3S -0.00122 -0.00118 -0.00157 -0.00017 0.00071 142 3PX 0.00056 0.00027 0.00112 0.00005 -0.00039 143 3PY -0.00043 -0.00051 -0.00042 -0.00023 0.00015 144 3PZ -0.00037 0.00002 -0.00053 -0.00039 0.00059 145 4XX 0.00001 0.00006 0.00006 -0.00010 0.00002 146 4YY 0.00000 -0.00003 -0.00002 0.00002 -0.00003 147 4ZZ 0.00001 -0.00003 0.00003 0.00005 -0.00004 148 4XY 0.00003 0.00001 0.00019 -0.00005 -0.00004 149 4XZ -0.00001 -0.00000 -0.00005 0.00002 0.00001 150 4YZ -0.00001 -0.00003 -0.00005 0.00008 -0.00002 151 11 C 1S -0.00005 -0.00006 -0.00031 0.00010 0.00004 152 2S 0.00005 -0.00003 0.00049 -0.00022 -0.00006 153 2PX -0.00020 0.00005 -0.00129 0.00027 0.00027 154 2PY -0.00015 -0.00028 -0.00080 0.00058 0.00009 155 2PZ 0.00022 -0.00015 0.00067 0.00006 -0.00033 156 3S 0.00037 0.00041 0.00125 -0.00034 -0.00005 157 3PX -0.00036 0.00007 -0.00078 0.00019 0.00035 158 3PY -0.00018 -0.00042 -0.00076 0.00038 0.00003 159 3PZ 0.00034 -0.00008 0.00039 -0.00007 -0.00036 160 4XX -0.00002 0.00001 -0.00007 0.00001 0.00002 161 4YY 0.00002 -0.00000 0.00004 0.00000 -0.00002 162 4ZZ -0.00000 -0.00001 -0.00002 0.00001 0.00001 163 4XY 0.00002 -0.00002 0.00005 0.00001 -0.00003 164 4XZ 0.00002 -0.00002 0.00004 0.00002 -0.00002 165 4YZ -0.00000 -0.00002 -0.00001 0.00003 -0.00001 166 12 H 1S -0.00002 -0.00000 0.00002 -0.00002 0.00004 167 2S 0.00015 0.00009 0.00008 -0.00010 -0.00006 168 13 H 1S 0.00006 -0.00017 0.00012 0.00025 -0.00014 169 2S 0.00002 -0.00011 0.00009 0.00034 -0.00015 170 14 C 1S 0.00004 -0.00002 0.00011 0.00002 -0.00005 171 2S -0.00011 0.00005 -0.00027 -0.00001 0.00012 172 2PX 0.00019 -0.00019 0.00078 0.00011 -0.00031 173 2PY -0.00005 0.00006 -0.00018 -0.00008 0.00007 174 2PZ -0.00009 0.00006 -0.00027 -0.00001 0.00008 175 3S -0.00008 -0.00026 -0.00061 -0.00015 -0.00003 176 3PX 0.00011 -0.00000 0.00059 0.00007 -0.00014 177 3PY 0.00003 -0.00001 -0.00020 0.00004 -0.00004 178 3PZ -0.00002 -0.00006 -0.00015 0.00002 -0.00004 179 4XX 0.00001 0.00001 0.00003 -0.00002 -0.00000 180 4YY -0.00000 -0.00000 -0.00001 0.00002 -0.00000 181 4ZZ 0.00000 -0.00000 0.00001 0.00001 -0.00000 182 4XY 0.00001 0.00000 0.00005 -0.00000 -0.00002 183 4XZ -0.00001 -0.00000 -0.00001 0.00001 0.00001 184 4YZ -0.00000 -0.00000 -0.00002 0.00001 0.00000 185 15 H 1S 0.00007 -0.00004 0.00031 -0.00003 -0.00011 186 2S 0.00014 0.00001 0.00049 -0.00008 -0.00015 187 16 H 1S 0.00000 -0.00004 -0.00004 0.00005 0.00000 188 2S 0.00005 -0.00007 0.00003 0.00015 -0.00007 189 17 C 1S -0.00000 -0.00000 0.00006 -0.00001 -0.00000 190 2S -0.00001 -0.00002 -0.00008 0.00005 -0.00001 191 2PX 0.00000 0.00009 0.00009 -0.00011 0.00009 192 2PY -0.00001 0.00001 0.00012 -0.00001 0.00004 193 2PZ 0.00005 0.00002 -0.00002 -0.00005 -0.00002 194 3S 0.00006 -0.00001 -0.00035 0.00011 0.00001 195 3PX -0.00002 0.00004 0.00010 -0.00010 0.00004 196 3PY -0.00009 0.00004 0.00010 -0.00005 0.00010 197 3PZ 0.00001 0.00001 0.00002 -0.00009 0.00000 198 4XX -0.00000 0.00001 -0.00001 -0.00000 0.00001 199 4YY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 200 4ZZ 0.00000 -0.00001 0.00002 0.00000 -0.00000 201 4XY 0.00001 -0.00001 0.00001 0.00000 -0.00001 202 4XZ -0.00000 0.00000 -0.00001 0.00000 0.00000 203 4YZ 0.00000 0.00001 -0.00000 -0.00000 0.00001 204 18 C 1S -0.00001 -0.00002 -0.00003 0.00003 -0.00004 205 2S -0.00007 -0.00002 0.00003 -0.00006 0.00007 206 2PX 0.00006 -0.00019 0.00005 0.00001 -0.00018 207 2PY 0.00002 -0.00000 -0.00015 0.00015 -0.00006 208 2PZ -0.00006 -0.00010 0.00003 0.00006 -0.00002 209 3S -0.00021 0.00014 0.00002 -0.00005 0.00023 210 3PX -0.00004 -0.00007 0.00014 -0.00005 -0.00003 211 3PY -0.00008 -0.00001 -0.00002 0.00015 -0.00010 212 3PZ -0.00003 -0.00007 -0.00012 0.00017 -0.00008 213 4XX -0.00000 0.00000 -0.00002 0.00000 -0.00000 214 4YY 0.00000 0.00000 0.00000 -0.00000 -0.00000 215 4ZZ -0.00000 -0.00000 0.00001 -0.00000 -0.00000 216 4XY 0.00000 -0.00000 -0.00001 0.00001 -0.00001 217 4XZ 0.00000 -0.00001 0.00001 -0.00001 0.00000 218 4YZ -0.00000 0.00001 0.00001 -0.00001 0.00001 219 19 H 1S 0.00000 0.00006 0.00009 -0.00009 0.00006 220 2S 0.00000 -0.00005 0.00011 0.00007 -0.00016 221 20 H 1S -0.00004 -0.00008 0.00009 -0.00004 -0.00000 222 2S 0.00004 -0.00007 0.00007 -0.00003 -0.00004 223 21 H 1S 0.00003 0.00003 0.00003 -0.00003 0.00002 224 2S 0.00006 0.00002 0.00006 0.00002 -0.00001 225 22 H 1S -0.00003 0.00005 -0.00006 -0.00003 0.00006 226 2S -0.00005 0.00006 -0.00008 -0.00004 0.00009 227 23 H 1S 0.00002 -0.00038 0.00007 0.00074 -0.00042 228 2S 0.00013 -0.00073 0.00015 0.00075 -0.00074 229 24 H 1S 0.00001 -0.00003 0.00033 0.00008 -0.00010 230 2S -0.00001 -0.00005 0.00027 0.00020 -0.00014 231 25 H 1S 0.00024 0.00009 -0.00063 0.00069 -0.00022 232 2S 0.00032 0.00011 -0.00063 0.00107 -0.00068 233 26 H 1S 0.00022 0.00043 -0.00021 -0.00023 0.00036 234 2S 0.00014 0.00052 -0.00024 -0.00005 0.00031 235 27 H 1S 0.00037 0.00061 0.00046 0.00005 -0.00075 236 2S 0.00101 0.00041 0.00201 -0.00070 -0.00080 237 28 Br 1S -0.00012 0.00003 0.00028 0.00026 -0.00045 238 2S 0.00056 -0.00005 -0.00126 -0.00116 0.00230 239 3S -0.00036 -0.00015 0.00071 0.00061 -0.00181 240 4S -0.00058 -0.00038 0.00091 0.00079 -0.00286 241 5S 0.00030 0.00062 0.00011 0.00039 0.00095 242 6S -0.00064 0.00110 0.00184 0.00145 0.00056 243 7PX -0.00044 -0.00083 -0.00012 -0.00007 -0.00065 244 7PY 0.00064 0.00185 0.00034 -0.00071 0.00100 245 7PZ 0.00081 0.00127 0.00019 -0.00001 0.00075 246 8PX 0.00048 0.00101 -0.00061 -0.00023 0.00200 247 8PY -0.00065 -0.00271 0.00027 0.00264 -0.00345 248 8PZ -0.00063 -0.00137 -0.00020 0.00108 -0.00193 249 9PX -0.00068 -0.00147 0.00150 0.00056 -0.00374 250 9PY 0.00093 0.00416 -0.00092 -0.00496 0.00652 251 9PZ 0.00061 0.00190 0.00024 -0.00227 0.00357 252 10PX -0.00057 -0.00172 0.00094 0.00041 -0.00325 253 10PY 0.00042 0.00388 -0.00021 -0.00337 0.00560 254 10PZ 0.00019 0.00134 0.00074 -0.00144 0.00273 255 11XX 0.00019 0.00000 -0.00062 -0.00043 0.00113 256 11YY 0.00029 0.00023 -0.00047 -0.00049 0.00098 257 11ZZ 0.00017 -0.00020 -0.00038 -0.00041 0.00092 258 11XY -0.00040 -0.00045 0.00004 -0.00002 -0.00018 259 11XZ -0.00024 -0.00040 -0.00004 -0.00003 -0.00027 260 11YZ 0.00029 0.00043 0.00017 0.00001 0.00007 261 12XX 0.00014 -0.00031 -0.00009 -0.00014 0.00008 262 12YY 0.00003 0.00005 -0.00049 -0.00046 0.00048 263 12ZZ 0.00027 0.00029 -0.00064 -0.00027 0.00074 264 12XY 0.00019 0.00020 0.00005 0.00006 0.00009 265 12XZ -0.00013 0.00041 0.00011 0.00004 0.00029 266 12YZ 0.00015 0.00017 -0.00056 -0.00023 0.00029 267 29 C 1S -0.00040 0.00020 -0.00017 -0.00024 0.00037 268 2S 0.00077 -0.00064 -0.00003 0.00032 -0.00084 269 2PX -0.00124 0.00192 -0.00091 -0.00120 0.00141 270 2PY -0.00066 0.00031 0.00000 -0.00164 0.00071 271 2PZ -0.00036 0.00054 0.00008 -0.00122 0.00042 272 3S 0.00090 -0.00044 -0.00029 0.00065 -0.00032 273 3PX -0.00072 0.00067 -0.00050 -0.00073 0.00043 274 3PY -0.00001 -0.00045 0.00014 -0.00093 -0.00067 275 3PZ -0.00017 -0.00002 0.00021 -0.00092 -0.00011 276 4XX -0.00004 0.00000 0.00001 -0.00004 0.00004 277 4YY -0.00002 0.00002 0.00012 -0.00005 -0.00003 278 4ZZ 0.00003 0.00002 -0.00011 0.00005 -0.00002 279 4XY -0.00008 0.00011 0.00009 -0.00006 0.00009 280 4XZ 0.00002 0.00004 0.00009 -0.00000 -0.00001 281 4YZ 0.00004 -0.00006 0.00009 0.00005 -0.00005 282 30 H 1S 0.00059 -0.00087 0.00033 0.00021 -0.00047 283 2S -0.00002 -0.00025 -0.00002 0.00021 0.00030 284 31 H 1S 0.00009 0.00038 -0.00035 -0.00013 -0.00001 285 2S 0.00002 0.00058 -0.00046 0.00003 0.00014 286 32 H 1S -0.00059 0.00080 0.00001 -0.00103 0.00066 287 2S -0.00067 0.00104 0.00066 -0.00088 0.00105 288 33 H 1S 0.00014 -0.00009 -0.00012 0.00075 0.00015 289 2S -0.00013 0.00040 0.00013 0.00099 0.00058 290 34 H 1S 0.00026 0.00003 0.00072 -0.00058 -0.00071 291 2S 0.00037 0.00020 0.00144 -0.00130 -0.00104 292 35 H 1S -0.00016 0.00018 0.00097 0.00055 0.00107 293 2S -0.00099 0.00115 0.00095 0.00109 0.00195 294 36 H 1S -0.00199 0.00047 -0.00113 0.00036 0.00145 295 2S -0.00224 0.00067 -0.00152 0.00076 0.00116 296 37 H 1S -0.00479 0.00841 0.00136 0.00373 0.00306 297 2S -0.00393 0.00714 0.00199 0.00237 0.00533 298 38 H 1S 0.00029 -0.00440 -0.00526 0.00293 -0.00082 299 2S -0.00028 -0.00481 -0.00364 0.00098 0.00054 300 39 H 1S -0.00171 0.01034 0.00197 0.00261 0.01321 301 2S -0.00190 0.00924 0.00097 0.00232 0.01041 302 40 H 1S 0.01091 -0.00658 0.01108 -0.00419 -0.00531 303 2S 0.00878 -0.00504 0.00852 -0.00366 -0.00492 16 17 18 19 20 16 2 C 1S 2.05126 17 2S -0.05339 0.30452 18 2PX 0.00569 -0.00651 0.40619 19 2PY -0.00249 0.00839 0.00277 0.39400 20 2PZ 0.00627 -0.00683 -0.01729 0.02350 0.38350 21 3S -0.18783 0.28447 -0.01060 0.01243 -0.04207 22 3PX -0.00282 -0.00126 0.18450 -0.00558 -0.02048 23 3PY -0.00057 0.00429 0.00901 0.17699 0.02720 24 3PZ 0.00181 -0.00417 -0.01574 0.02110 0.16298 25 4XX -0.01769 -0.00075 -0.01474 0.01116 0.00860 26 4YY -0.01577 -0.00465 0.00682 -0.00044 -0.00621 27 4ZZ -0.01628 -0.00359 0.00262 -0.01307 -0.00386 28 4XY 0.00057 -0.00139 0.01003 0.00679 -0.00924 29 4XZ 0.00060 -0.00152 0.00919 -0.00943 0.00182 30 4YZ -0.00213 0.00422 -0.00902 -0.00749 -0.01751 31 3 C 1S 0.01051 -0.01918 -0.03742 -0.04965 0.01425 32 2S -0.01953 0.03148 0.07474 0.10233 -0.02918 33 2PX 0.03422 -0.07232 -0.09321 -0.14513 0.04311 34 2PY 0.05367 -0.10891 -0.14919 -0.19950 0.05996 35 2PZ -0.01683 0.03229 0.04659 0.06031 -0.00858 36 3S 0.00783 -0.00131 0.07926 0.09738 -0.01968 37 3PX 0.00665 -0.02062 -0.03295 -0.06554 0.01969 38 3PY 0.01223 -0.03371 -0.06079 -0.09642 0.02482 39 3PZ -0.00290 0.00892 0.02020 0.02719 -0.00584 40 4XX -0.00099 0.00088 -0.01022 0.00276 0.00062 41 4YY -0.00322 0.00527 0.00706 -0.00310 -0.00412 42 4ZZ 0.00180 -0.00399 -0.00230 -0.00502 0.00485 43 4XY -0.00479 0.00902 0.00269 0.00766 -0.00505 44 4XZ 0.00146 -0.00282 0.00062 -0.00485 -0.00403 45 4YZ 0.00195 -0.00396 -0.00477 -0.00522 -0.00734 46 4 C 1S -0.00245 0.00468 0.01058 0.00230 -0.00385 47 2S 0.00460 -0.01244 -0.02596 -0.00841 0.00979 48 2PX -0.01051 0.02708 0.04505 0.02405 -0.02015 49 2PY -0.00547 0.01132 0.00488 0.00929 -0.00526 50 2PZ 0.00214 -0.00512 -0.01160 -0.00973 -0.01203 51 3S 0.00483 -0.00444 -0.04638 0.00594 0.01604 52 3PX -0.00744 0.01510 0.04280 0.01545 -0.01058 53 3PY -0.00467 0.00631 -0.01023 0.00574 -0.00066 54 3PZ 0.00019 0.00009 -0.00773 -0.01003 -0.01689 55 4XX -0.00106 0.00159 0.00399 0.00385 -0.00159 56 4YY -0.00004 -0.00013 -0.00073 -0.00149 -0.00058 57 4ZZ 0.00016 -0.00048 -0.00106 -0.00116 0.00109 58 4XY -0.00159 0.00347 0.00608 0.00542 -0.00248 59 4XZ 0.00041 -0.00078 -0.00191 -0.00220 0.00052 60 4YZ 0.00024 -0.00074 -0.00134 -0.00138 0.00067 61 5 C 1S -0.00141 0.00327 0.00514 0.00115 0.00085 62 2S 0.00349 -0.00511 -0.00908 -0.00316 -0.00607 63 2PX -0.00651 0.01156 0.02049 0.00210 0.00881 64 2PY -0.00015 0.00317 0.00114 -0.01547 0.01355 65 2PZ -0.00329 0.00921 0.01205 0.00713 0.00485 66 3S 0.00198 -0.00962 -0.03356 -0.00445 0.02075 67 3PX -0.00365 0.01392 0.01941 -0.00297 -0.00963 68 3PY 0.00045 0.00029 0.01318 -0.00221 0.00380 69 3PZ -0.00262 0.00801 0.01750 0.01418 0.01092 70 4XX 0.00020 -0.00076 -0.00150 0.00015 -0.00054 71 4YY -0.00016 0.00074 0.00105 -0.00000 -0.00013 72 4ZZ -0.00001 0.00037 0.00053 -0.00052 0.00004 73 4XY 0.00007 -0.00024 -0.00006 0.00113 -0.00051 74 4XZ 0.00020 -0.00067 -0.00045 -0.00122 0.00101 75 4YZ 0.00003 -0.00007 0.00027 -0.00026 0.00103 76 6 C 1S -0.00251 0.00395 0.01053 -0.00605 0.00271 77 2S 0.00398 -0.00984 -0.02507 0.01364 -0.00760 78 2PX -0.00868 0.02228 0.04146 -0.02195 0.00786 79 2PY 0.00538 -0.01351 -0.02160 0.01555 -0.02877 80 2PZ -0.00114 0.00291 -0.01590 0.00308 -0.02997 81 3S 0.00739 -0.00953 -0.06804 0.02172 0.00197 82 3PX -0.00373 0.00561 0.04861 -0.00615 -0.02472 83 3PY 0.00018 0.00452 0.01310 -0.00352 -0.02569 84 3PZ -0.00293 0.00300 -0.02479 -0.01027 -0.01329 85 4XX -0.00067 0.00074 0.00222 -0.00143 0.00234 86 4YY -0.00057 0.00097 0.00105 -0.00146 0.00180 87 4ZZ 0.00001 -0.00054 -0.00078 0.00016 -0.00287 88 4XY 0.00096 -0.00194 -0.00370 0.00401 -0.00440 89 4XZ -0.00125 0.00269 0.00480 -0.00418 0.00547 90 4YZ 0.00045 -0.00110 -0.00190 0.00186 -0.00162 91 7 C 1S 0.00165 -0.00409 -0.00579 0.00635 -0.00694 92 2S -0.00364 0.00815 0.01178 -0.01522 0.01634 93 2PX 0.00483 -0.00967 -0.01074 0.01686 -0.01558 94 2PY -0.00595 0.01494 0.02220 -0.02015 0.02396 95 2PZ -0.00073 -0.00140 -0.00082 0.00020 0.00860 96 3S -0.00818 0.02171 0.04442 -0.04334 0.03043 97 3PX 0.00043 -0.00211 -0.00993 -0.01100 0.00101 98 3PY -0.00288 0.00943 0.02227 -0.00701 0.01381 99 3PZ 0.00009 -0.00140 -0.00094 -0.00401 0.00422 100 4XX 0.00052 -0.00116 -0.00155 0.00135 -0.00107 101 4YY -0.00026 0.00070 0.00081 -0.00102 0.00014 102 4ZZ 0.00012 -0.00031 -0.00038 -0.00004 -0.00104 103 4XY -0.00023 0.00036 0.00113 -0.00089 0.00077 104 4XZ 0.00019 -0.00017 -0.00042 0.00054 0.00022 105 4YZ 0.00008 -0.00020 -0.00106 0.00023 -0.00211 106 8 C 1S -0.00071 0.00151 0.00220 -0.00273 0.00087 107 2S 0.00142 -0.00300 -0.00421 0.00377 -0.00192 108 2PX -0.00338 0.00666 0.00987 -0.01166 0.00642 109 2PY 0.00116 -0.00219 -0.00283 0.00192 -0.00357 110 2PZ -0.00061 0.00170 0.00180 -0.00233 -0.00133 111 3S 0.00482 -0.00960 -0.01375 0.03284 -0.00913 112 3PX -0.00284 0.00578 0.00875 -0.01888 0.00699 113 3PY 0.00058 -0.00180 -0.00413 0.00046 -0.00116 114 3PZ -0.00073 0.00156 0.00200 -0.00335 0.00438 115 4XX 0.00007 -0.00016 -0.00018 0.00050 0.00005 116 4YY -0.00012 0.00028 0.00044 -0.00058 0.00047 117 4ZZ -0.00002 0.00007 0.00001 -0.00031 -0.00048 118 4XY 0.00016 -0.00036 -0.00076 0.00052 -0.00078 119 4XZ 0.00007 -0.00007 -0.00009 0.00020 -0.00058 120 4YZ -0.00003 0.00006 0.00005 -0.00004 0.00004 121 9 C 1S -0.00023 0.00052 0.00088 0.00011 0.00017 122 2S 0.00055 -0.00114 -0.00196 0.00023 -0.00090 123 2PX -0.00081 0.00160 0.00269 0.00077 0.00047 124 2PY 0.00062 -0.00076 -0.00079 -0.00050 -0.00009 125 2PZ -0.00069 0.00059 0.00061 0.00125 0.00066 126 3S 0.00082 -0.00073 -0.00163 -0.00133 0.00085 127 3PX 0.00015 -0.00038 -0.00029 0.00563 -0.00303 128 3PY 0.00017 0.00053 0.00084 -0.00142 0.00113 129 3PZ -0.00039 0.00071 0.00163 0.00317 -0.00269 130 4XX 0.00003 -0.00009 -0.00012 0.00031 -0.00029 131 4YY -0.00002 0.00004 0.00005 -0.00004 0.00010 132 4ZZ 0.00001 0.00004 0.00005 -0.00004 -0.00004 133 4XY 0.00005 -0.00008 -0.00002 0.00004 0.00002 134 4XZ -0.00003 0.00006 -0.00000 -0.00011 0.00014 135 4YZ -0.00001 -0.00001 0.00001 0.00016 -0.00004 136 10 C 1S 0.00024 -0.00005 0.00049 -0.00017 -0.00043 137 2S -0.00061 0.00095 -0.00060 -0.00019 0.00057 138 2PX 0.00182 -0.00175 -0.00088 -0.00257 -0.00011 139 2PY 0.00015 -0.00153 -0.00203 0.00120 -0.00135 140 2PZ 0.00043 -0.00159 -0.00221 0.00097 -0.00226 141 3S 0.00103 -0.00558 -0.00536 0.00640 0.00195 142 3PX 0.00047 0.00026 -0.00032 -0.00649 -0.00527 143 3PY 0.00122 -0.00420 -0.00516 -0.00086 0.00301 144 3PZ 0.00089 -0.00391 -0.00460 0.00125 -0.00046 145 4XX 0.00010 -0.00022 0.00014 0.00040 -0.00046 146 4YY 0.00005 0.00002 -0.00003 -0.00027 0.00003 147 4ZZ -0.00005 0.00018 0.00022 -0.00006 0.00018 148 4XY 0.00004 -0.00003 -0.00009 0.00008 -0.00025 149 4XZ 0.00008 -0.00002 -0.00012 -0.00021 -0.00005 150 4YZ -0.00014 0.00026 0.00025 -0.00004 0.00047 151 11 C 1S -0.00035 0.00074 0.00132 0.00065 -0.00016 152 2S 0.00074 -0.00155 -0.00250 -0.00104 -0.00020 153 2PX -0.00165 0.00277 0.00404 0.00301 -0.00022 154 2PY 0.00040 -0.00046 -0.00223 -0.00393 0.00329 155 2PZ -0.00056 0.00132 0.00292 0.00223 -0.00067 156 3S 0.00159 -0.00248 -0.00652 -0.00448 0.00196 157 3PX 0.00024 -0.00035 0.00049 -0.00191 0.00078 158 3PY 0.00031 -0.00087 -0.00297 -0.00305 0.00189 159 3PZ -0.00133 0.00289 0.00488 0.00543 -0.00098 160 4XX -0.00011 0.00017 0.00031 0.00020 -0.00017 161 4YY 0.00004 -0.00002 0.00002 -0.00006 0.00010 162 4ZZ 0.00005 -0.00009 -0.00018 -0.00018 0.00007 163 4XY -0.00003 0.00003 -0.00008 0.00002 0.00015 164 4XZ 0.00003 -0.00004 -0.00002 -0.00013 0.00011 165 4YZ -0.00011 0.00020 0.00036 0.00022 -0.00002 166 12 H 1S 0.00094 -0.00148 -0.00236 -0.00271 0.00085 167 2S -0.00033 0.00103 0.00341 0.00303 -0.00105 168 13 H 1S -0.00013 0.00041 0.00048 -0.00033 0.00086 169 2S -0.00025 0.00081 0.00159 -0.00077 0.00093 170 14 C 1S 0.00017 -0.00011 -0.00032 -0.00056 0.00022 171 2S -0.00018 0.00034 0.00043 0.00034 -0.00060 172 2PX 0.00087 -0.00118 -0.00166 -0.00244 0.00134 173 2PY -0.00051 0.00057 0.00128 0.00130 -0.00056 174 2PZ -0.00022 0.00032 0.00045 0.00042 -0.00024 175 3S -0.00159 0.00200 0.00323 0.00689 -0.00167 176 3PX 0.00075 -0.00092 -0.00131 -0.00272 0.00012 177 3PY -0.00067 0.00116 0.00095 0.00102 -0.00061 178 3PZ -0.00055 0.00084 0.00162 0.00181 -0.00027 179 4XX 0.00002 -0.00005 -0.00005 0.00003 -0.00009 180 4YY 0.00001 0.00002 -0.00003 -0.00016 0.00006 181 4ZZ 0.00002 0.00000 0.00000 -0.00007 -0.00002 182 4XY 0.00002 -0.00000 0.00008 -0.00003 -0.00003 183 4XZ 0.00004 -0.00005 -0.00013 -0.00013 0.00007 184 4YZ -0.00003 0.00006 0.00007 0.00009 -0.00001 185 15 H 1S 0.00008 -0.00013 0.00028 -0.00016 -0.00004 186 2S 0.00021 -0.00036 0.00040 -0.00017 0.00038 187 16 H 1S 0.00001 0.00013 0.00004 0.00007 0.00004 188 2S -0.00017 0.00057 0.00075 -0.00011 0.00018 189 17 C 1S -0.00002 0.00004 0.00021 0.00040 -0.00026 190 2S 0.00001 -0.00005 -0.00031 -0.00073 0.00048 191 2PX -0.00003 -0.00000 0.00044 0.00135 -0.00103 192 2PY 0.00051 -0.00071 -0.00128 -0.00047 -0.00003 193 2PZ -0.00022 0.00025 0.00064 0.00044 -0.00013 194 3S 0.00028 -0.00047 -0.00199 -0.00262 0.00153 195 3PX -0.00006 0.00011 0.00043 0.00127 -0.00075 196 3PY 0.00063 -0.00108 -0.00163 -0.00131 -0.00026 197 3PZ -0.00006 -0.00007 0.00087 0.00088 -0.00068 198 4XX -0.00004 0.00006 0.00009 0.00011 -0.00009 199 4YY -0.00000 -0.00000 0.00000 -0.00000 0.00002 200 4ZZ 0.00002 -0.00003 -0.00007 -0.00002 0.00001 201 4XY 0.00002 -0.00003 -0.00007 -0.00004 0.00006 202 4XZ 0.00002 -0.00002 -0.00005 -0.00009 0.00001 203 4YZ -0.00002 0.00003 0.00005 0.00005 -0.00003 204 18 C 1S -0.00003 0.00016 0.00019 -0.00036 0.00012 205 2S 0.00007 -0.00017 -0.00053 0.00070 -0.00086 206 2PX 0.00013 -0.00031 -0.00024 -0.00120 0.00082 207 2PY -0.00044 0.00069 0.00086 -0.00029 0.00058 208 2PZ 0.00002 -0.00015 -0.00002 0.00021 -0.00029 209 3S 0.00012 -0.00044 -0.00063 0.00079 0.00104 210 3PX 0.00027 -0.00048 -0.00102 -0.00139 -0.00064 211 3PY -0.00035 0.00062 0.00103 -0.00139 0.00053 212 3PZ -0.00042 0.00062 0.00014 -0.00107 0.00129 213 4XX -0.00001 0.00003 0.00004 -0.00003 -0.00007 214 4YY 0.00002 -0.00002 -0.00001 -0.00008 -0.00005 215 4ZZ 0.00000 0.00000 -0.00004 0.00001 -0.00006 216 4XY -0.00003 0.00005 0.00004 -0.00004 0.00006 217 4XZ 0.00006 -0.00007 -0.00008 0.00006 -0.00010 218 4YZ -0.00001 0.00001 -0.00001 0.00012 -0.00003 219 19 H 1S 0.00013 -0.00015 -0.00039 0.00064 -0.00037 220 2S -0.00034 0.00067 0.00055 -0.00096 0.00013 221 20 H 1S 0.00032 -0.00055 -0.00056 -0.00024 -0.00038 222 2S 0.00047 -0.00063 0.00008 -0.00050 -0.00041 223 21 H 1S 0.00008 -0.00015 -0.00022 -0.00002 -0.00003 224 2S -0.00004 0.00016 0.00006 0.00032 0.00015 225 22 H 1S -0.00019 0.00026 0.00060 0.00076 -0.00050 226 2S -0.00027 0.00034 0.00113 0.00129 -0.00085 227 23 H 1S -0.00087 0.00212 0.00204 -0.00106 0.00257 228 2S -0.00044 0.00100 0.00164 -0.00036 0.00662 229 24 H 1S -0.00009 -0.00005 -0.00001 0.00042 0.00054 230 2S -0.00021 0.00012 0.00002 -0.00073 0.00154 231 25 H 1S -0.00104 0.00188 0.00318 -0.00279 0.00501 232 2S -0.00202 0.00391 0.00718 -0.00850 0.00777 233 26 H 1S -0.00006 0.00055 0.00018 -0.00099 -0.00248 234 2S -0.00047 0.00123 0.00131 -0.00353 -0.00558 235 27 H 1S -0.00168 0.00149 0.00499 -0.00493 0.00672 236 2S -0.00061 0.00031 0.00522 0.00342 0.00092 237 28 Br 1S -0.00011 0.00044 0.00110 -0.00128 0.00025 238 2S 0.00080 -0.00267 -0.00594 0.00791 -0.00085 239 3S -0.00108 0.00283 0.00528 -0.00881 -0.00018 240 4S -0.00187 0.00451 0.00858 -0.01371 0.00017 241 5S 0.00290 -0.00410 -0.00459 0.02158 0.01277 242 6S -0.00128 -0.00003 -0.00352 -0.01991 -0.02684 243 7PX -0.00081 0.00191 0.00011 -0.00328 -0.00265 244 7PY 0.00143 -0.00326 -0.00201 0.00519 -0.00219 245 7PZ 0.00047 -0.00044 -0.00143 0.00089 -0.00399 246 8PX 0.00284 -0.00441 -0.00130 0.01049 0.00713 247 8PY -0.00435 0.00981 0.00869 -0.01710 0.00757 248 8PZ -0.00142 0.00101 0.00529 -0.00313 0.01291 249 9PX -0.00555 0.00785 0.00286 -0.02083 -0.01377 250 9PY 0.00810 -0.01826 -0.01703 0.03359 -0.01322 251 9PZ 0.00253 -0.00173 -0.01012 0.00561 -0.02465 252 10PX -0.00344 0.00497 0.00043 -0.01227 -0.00845 253 10PY 0.00569 -0.01403 -0.01555 0.02098 -0.02052 254 10PZ 0.00234 -0.00265 -0.01043 0.00418 -0.02347 255 11XX 0.00052 -0.00152 -0.00276 0.00453 0.00088 256 11YY 0.00042 -0.00119 -0.00277 0.00443 -0.00047 257 11ZZ 0.00043 -0.00148 -0.00284 0.00397 -0.00066 258 11XY -0.00005 0.00047 -0.00023 -0.00102 -0.00106 259 11XZ 0.00012 0.00010 -0.00013 0.00066 0.00069 260 11YZ -0.00013 -0.00039 -0.00025 -0.00023 -0.00148 261 12XX 0.00042 -0.00071 -0.00071 0.00635 0.00279 262 12YY 0.00069 -0.00150 -0.00091 0.00586 0.00488 263 12ZZ 0.00085 -0.00104 -0.00136 0.00704 0.00550 264 12XY 0.00034 -0.00030 -0.00053 0.00308 0.00286 265 12XZ -0.00008 0.00032 -0.00019 -0.00175 -0.00270 266 12YZ 0.00014 -0.00033 0.00012 0.00034 0.00265 267 29 C 1S 0.00021 -0.00067 -0.00094 0.00016 -0.00311 268 2S -0.00062 0.00262 0.00446 0.00030 0.00765 269 2PX 0.00084 -0.00547 -0.00328 -0.00156 -0.00484 270 2PY 0.00117 -0.00321 -0.00646 0.00671 -0.00992 271 2PZ 0.00008 -0.00326 -0.00440 0.00356 -0.00593 272 3S 0.00055 0.00009 -0.00598 -0.00379 0.00930 273 3PX 0.00073 -0.00377 -0.00132 -0.00154 0.00266 274 3PY 0.00008 0.00060 -0.00116 0.00317 -0.00167 275 3PZ -0.00028 -0.00020 0.00080 0.00840 -0.00246 276 4XX 0.00009 -0.00003 0.00002 0.00029 -0.00036 277 4YY -0.00001 0.00009 0.00019 0.00047 -0.00053 278 4ZZ 0.00002 0.00015 0.00024 -0.00056 0.00060 279 4XY 0.00015 -0.00028 -0.00051 0.00021 -0.00096 280 4XZ 0.00013 -0.00015 -0.00032 -0.00055 -0.00001 281 4YZ -0.00000 0.00012 -0.00005 0.00005 0.00015 282 30 H 1S -0.00017 0.00197 0.00137 0.00161 0.00065 283 2S -0.00031 -0.00025 0.00112 -0.00180 -0.00088 284 31 H 1S -0.00028 -0.00094 0.00029 -0.00253 0.00255 285 2S 0.00005 -0.00118 -0.00052 -0.00660 -0.00067 286 32 H 1S 0.00074 -0.00259 -0.00271 0.00315 -0.00589 287 2S 0.00078 -0.00286 -0.00345 0.00524 -0.01273 288 33 H 1S 0.00291 -0.00635 -0.00798 -0.00660 0.01147 289 2S 0.00164 -0.00457 -0.00681 -0.01737 -0.00031 290 34 H 1S -0.00807 0.01751 0.02416 0.02527 -0.01221 291 2S -0.00810 0.01978 0.04052 0.03252 -0.02068 292 35 H 1S 0.00800 -0.02088 -0.01151 -0.03461 -0.00875 293 2S 0.00954 -0.02116 -0.02375 -0.06347 -0.02522 294 36 H 1S 0.00924 -0.01967 -0.00614 -0.02235 0.01752 295 2S 0.01044 -0.01976 -0.00724 -0.04163 0.03646 296 37 H 1S -0.05370 0.10084 -0.01978 -0.16514 -0.21050 297 2S -0.00526 0.01870 -0.01443 -0.13507 -0.17172 298 38 H 1S -0.05476 0.10638 -0.24554 0.07992 0.07739 299 2S -0.00866 0.02549 -0.19210 0.06127 0.06155 300 39 H 1S 0.00654 -0.01701 -0.00197 -0.00860 -0.02734 301 2S 0.00806 -0.01680 -0.00893 -0.02106 -0.06021 302 40 H 1S 0.00768 -0.01777 0.00326 0.03071 -0.01941 303 2S 0.00770 -0.01584 0.00677 0.05860 -0.03057 21 22 23 24 25 21 3S 0.29621 22 3PX 0.00178 0.08675 23 3PY 0.00525 0.00116 0.08343 24 3PZ -0.01753 -0.01188 0.01549 0.07211 25 4XX 0.00039 -0.00731 0.00482 0.00428 0.00155 26 4YY -0.00381 0.00323 -0.00026 -0.00262 -0.00045 27 4ZZ -0.00245 0.00151 -0.00594 -0.00227 -0.00055 28 4XY -0.00070 0.00462 0.00228 -0.00361 -0.00036 29 4XZ -0.00191 0.00415 -0.00385 0.00009 -0.00060 30 4YZ 0.00630 -0.00332 -0.00460 -0.00719 -0.00015 31 3 C 1S 0.00631 -0.00839 -0.01089 0.00169 -0.00065 32 2S 0.00341 0.02340 0.03092 -0.00738 0.00059 33 2PX -0.06151 -0.04614 -0.07492 0.02122 0.00861 34 2PY -0.13255 -0.07050 -0.09263 0.02270 -0.00413 35 2PZ 0.03949 0.02120 0.02053 0.00434 -0.00030 36 3S -0.03105 0.02340 0.02850 -0.00297 0.00023 37 3PX -0.01561 -0.01737 -0.03347 0.00925 0.00356 38 3PY -0.04303 -0.02729 -0.04422 0.00867 -0.00206 39 3PZ 0.01162 0.00892 0.00847 0.00112 -0.00004 40 4XX 0.00274 -0.00456 0.00142 0.00046 0.00079 41 4YY 0.00517 0.00357 -0.00140 -0.00191 -0.00055 42 4ZZ -0.00583 -0.00125 -0.00209 0.00191 -0.00030 43 4XY 0.01038 0.00157 0.00393 -0.00221 -0.00011 44 4XZ -0.00348 0.00018 -0.00247 -0.00221 -0.00039 45 4YZ -0.00333 -0.00191 -0.00340 -0.00249 -0.00011 46 4 C 1S 0.00427 0.00650 0.00147 -0.00396 -0.00185 47 2S -0.00470 -0.01190 -0.00498 0.00800 0.00369 48 2PX 0.03923 0.02810 0.02787 -0.01520 -0.00990 49 2PY 0.03849 0.00097 0.01726 -0.00963 0.00032 50 2PZ -0.00430 -0.01228 -0.01491 -0.01050 0.00211 51 3S 0.00779 -0.01856 0.00300 0.01285 0.00479 52 3PX 0.01905 0.02144 0.01418 -0.00690 -0.00521 53 3PY 0.01924 -0.00566 0.00851 -0.00418 0.00053 54 3PZ 0.00350 -0.00480 -0.00986 -0.00837 0.00054 55 4XX 0.00153 0.00132 0.00134 -0.00066 0.00014 56 4YY 0.00091 0.00008 0.00005 -0.00067 -0.00027 57 4ZZ -0.00213 -0.00046 -0.00071 0.00078 -0.00014 58 4XY 0.00538 0.00321 0.00363 -0.00144 -0.00022 59 4XZ -0.00128 -0.00088 -0.00083 0.00004 -0.00011 60 4YZ -0.00137 -0.00049 -0.00083 0.00104 0.00006 61 5 C 1S 0.00315 0.00099 0.00215 0.00164 0.00012 62 2S -0.01142 -0.00538 -0.00257 -0.00374 -0.00056 63 2PX 0.02623 0.00974 0.00654 0.01144 0.00054 64 2PY -0.01606 -0.00568 -0.00847 0.00762 -0.00041 65 2PZ -0.00337 0.00374 0.00767 0.00309 -0.00014 66 3S -0.01856 -0.01782 -0.00232 0.00944 0.00038 67 3PX 0.02435 0.01134 0.00204 -0.00151 -0.00097 68 3PY -0.00743 0.00265 -0.00038 -0.00111 -0.00022 69 3PZ 0.00053 0.00635 0.00996 0.00653 0.00045 70 4XX -0.00033 -0.00082 -0.00021 -0.00042 0.00038 71 4YY 0.00142 0.00051 0.00023 -0.00023 -0.00015 72 4ZZ -0.00040 0.00034 -0.00014 0.00039 -0.00018 73 4XY -0.00039 0.00040 0.00088 -0.00061 -0.00010 74 4XZ -0.00095 0.00009 -0.00098 0.00066 0.00007 75 4YZ -0.00132 -0.00014 -0.00004 0.00053 0.00008 76 6 C 1S 0.00680 0.00902 -0.00439 0.00216 -0.00172 77 2S -0.00527 -0.01678 0.00798 -0.00522 0.00336 78 2PX 0.03071 0.02799 -0.01621 0.01009 -0.00775 79 2PY -0.01776 -0.00823 0.00928 -0.02680 0.00175 80 2PZ 0.01668 -0.01063 -0.00505 -0.00286 -0.00009 81 3S -0.00061 -0.03057 0.01386 -0.00243 0.00543 82 3PX 0.01297 0.02652 -0.00284 -0.01107 -0.00482 83 3PY 0.00923 0.00711 -0.00252 -0.01650 -0.00101 84 3PZ 0.00704 -0.01362 -0.00849 -0.00083 0.00017 85 4XX 0.00011 0.00072 0.00021 0.00039 0.00003 86 4YY -0.00017 0.00024 -0.00103 0.00098 -0.00023 87 4ZZ -0.00001 0.00026 -0.00043 -0.00093 -0.00014 88 4XY -0.00160 -0.00127 0.00194 -0.00165 0.00009 89 4XZ 0.00163 0.00220 -0.00141 0.00266 -0.00015 90 4YZ -0.00252 -0.00116 0.00126 -0.00119 0.00011 91 7 C 1S -0.00514 -0.00225 0.00417 -0.00526 0.00057 92 2S 0.00973 0.00564 -0.00843 0.01207 -0.00113 93 2PX -0.03130 -0.00674 0.01152 -0.01573 0.00139 94 2PY 0.01782 0.00724 -0.01246 0.02129 -0.00216 95 2PZ 0.01504 0.00842 -0.00083 0.01089 0.00036 96 3S 0.02438 0.01881 -0.02410 0.01550 -0.00285 97 3PX -0.00999 -0.00489 -0.00439 -0.00402 0.00039 98 3PY 0.01147 0.00906 -0.00568 0.01107 -0.00133 99 3PZ 0.00791 0.00521 -0.00238 0.00620 0.00004 100 4XX -0.00185 -0.00069 0.00093 -0.00050 0.00018 101 4YY 0.00167 0.00043 -0.00068 0.00046 -0.00012 102 4ZZ -0.00083 -0.00045 -0.00005 -0.00130 -0.00001 103 4XY 0.00040 0.00082 -0.00021 0.00010 -0.00014 104 4XZ -0.00224 -0.00089 0.00059 -0.00031 0.00008 105 4YZ -0.00078 -0.00096 0.00009 -0.00136 0.00006 106 8 C 1S 0.00361 0.00079 -0.00144 0.00068 -0.00024 107 2S -0.00722 -0.00192 0.00276 -0.00149 0.00049 108 2PX 0.02256 0.00553 -0.00701 0.00756 -0.00132 109 2PY -0.00536 -0.00469 0.00418 -0.00319 0.00045 110 2PZ 0.00273 -0.00226 -0.00278 -0.00412 -0.00026 111 3S -0.01554 -0.00636 0.01862 -0.00226 0.00160 112 3PX 0.01354 0.00509 -0.00990 0.00457 -0.00129 113 3PY -0.00437 -0.00367 0.00247 -0.00174 0.00028 114 3PZ -0.00173 -0.00164 -0.00195 -0.00040 -0.00020 115 4XX -0.00042 0.00001 0.00040 0.00003 0.00005 116 4YY 0.00072 0.00049 -0.00043 0.00061 -0.00007 117 4ZZ 0.00017 -0.00031 -0.00032 -0.00054 -0.00003 118 4XY -0.00020 -0.00036 0.00034 -0.00061 0.00007 119 4XZ -0.00062 -0.00024 0.00010 -0.00054 0.00000 120 4YZ 0.00023 0.00019 -0.00009 0.00007 -0.00000 121 9 C 1S 0.00097 0.00016 0.00042 0.00014 0.00003 122 2S -0.00201 -0.00075 -0.00008 -0.00051 -0.00002 123 2PX 0.00244 0.00173 0.00001 -0.00126 0.00000 124 2PY -0.00805 0.00049 -0.00316 -0.00239 -0.00030 125 2PZ 0.00513 0.00154 0.00189 0.00050 0.00026 126 3S -0.00503 -0.00023 -0.00137 0.00034 -0.00053 127 3PX 0.00052 -0.00049 0.00268 -0.00246 0.00023 128 3PY -0.00253 0.00156 -0.00158 0.00022 -0.00051 129 3PZ 0.00521 0.00122 0.00196 -0.00118 0.00036 130 4XX -0.00005 -0.00018 0.00027 -0.00008 0.00006 131 4YY 0.00040 0.00021 -0.00005 0.00017 -0.00001 132 4ZZ -0.00027 -0.00005 -0.00013 -0.00023 -0.00003 133 4XY -0.00022 0.00004 0.00007 -0.00003 -0.00002 134 4XZ -0.00004 -0.00001 -0.00013 0.00010 -0.00000 135 4YZ -0.00005 0.00010 0.00007 -0.00006 0.00002 136 10 C 1S -0.00200 0.00050 -0.00023 -0.00059 -0.00038 137 2S 0.00318 -0.00157 -0.00010 0.00072 0.00068 138 2PX -0.01500 0.00122 -0.00302 -0.00376 -0.00140 139 2PY 0.00572 0.00125 0.00196 0.00092 0.00076 140 2PZ 0.00284 0.00073 -0.00042 0.00087 0.00044 141 3S -0.00668 -0.00861 0.00198 -0.00037 0.00286 142 3PX -0.00460 0.00154 -0.00365 -0.00350 -0.00125 143 3PY -0.00481 -0.00168 -0.00035 0.00258 0.00078 144 3PZ 0.00021 -0.00168 -0.00089 0.00020 0.00090 145 4XX 0.00054 0.00032 0.00024 -0.00029 -0.00002 146 4YY -0.00037 -0.00016 -0.00016 0.00007 -0.00002 147 4ZZ -0.00031 0.00005 -0.00002 0.00008 -0.00002 148 4XY 0.00004 0.00007 0.00002 -0.00024 -0.00000 149 4XZ -0.00032 -0.00009 -0.00024 -0.00014 -0.00006 150 4YZ 0.00031 -0.00000 0.00009 0.00021 0.00004 151 11 C 1S 0.00167 0.00055 0.00102 0.00003 -0.00009 152 2S -0.00358 -0.00131 -0.00158 0.00012 0.00018 153 2PX 0.01044 0.00388 0.00343 -0.00103 -0.00033 154 2PY -0.00525 -0.00502 -0.00392 0.00442 0.00042 155 2PZ 0.00475 0.00233 0.00308 -0.00145 -0.00038 156 3S -0.00175 -0.00264 -0.00384 0.00084 0.00031 157 3PX 0.00141 0.00079 -0.00041 -0.00026 -0.00002 158 3PY -0.00450 -0.00405 -0.00259 0.00231 0.00044 159 3PZ 0.00558 0.00301 0.00403 -0.00092 -0.00051 160 4XX 0.00075 0.00022 0.00027 -0.00005 0.00001 161 4YY -0.00045 -0.00008 -0.00011 -0.00002 -0.00002 162 4ZZ -0.00026 -0.00014 -0.00019 0.00012 0.00002 163 4XY 0.00007 -0.00002 0.00007 0.00002 0.00001 164 4XZ -0.00058 -0.00022 -0.00017 0.00011 -0.00001 165 4YZ 0.00063 0.00022 0.00032 -0.00007 -0.00002 166 12 H 1S -0.00777 -0.00348 -0.00375 0.00214 0.00024 167 2S -0.00403 0.00004 -0.00013 0.00077 -0.00030 168 13 H 1S 0.00055 -0.00049 0.00006 0.00072 -0.00007 169 2S 0.00070 0.00028 0.00021 0.00049 -0.00016 170 14 C 1S -0.00169 -0.00064 -0.00046 0.00006 0.00000 171 2S 0.00200 0.00057 0.00049 -0.00030 -0.00000 172 2PX -0.00690 -0.00321 -0.00215 0.00160 0.00008 173 2PY 0.00483 0.00240 0.00153 -0.00068 -0.00010 174 2PZ 0.00121 0.00008 0.00043 -0.00024 0.00001 175 3S 0.00575 0.00190 0.00455 -0.00063 0.00000 176 3PX -0.00352 -0.00154 -0.00194 0.00036 -0.00004 177 3PY 0.00421 0.00152 0.00109 -0.00012 -0.00008 178 3PZ 0.00124 0.00045 0.00136 -0.00024 -0.00006 179 4XX -0.00007 0.00005 0.00001 -0.00009 -0.00000 180 4YY -0.00003 -0.00008 -0.00012 0.00009 0.00000 181 4ZZ -0.00003 -0.00002 -0.00003 -0.00000 -0.00000 182 4XY -0.00003 0.00009 0.00002 -0.00006 -0.00002 183 4XZ -0.00028 -0.00018 -0.00013 0.00010 0.00002 184 4YZ 0.00020 0.00008 0.00010 -0.00004 -0.00000 185 15 H 1S -0.00011 0.00029 0.00006 0.00006 -0.00007 186 2S -0.00122 0.00033 -0.00005 0.00002 -0.00012 187 16 H 1S -0.00024 -0.00009 0.00000 0.00007 0.00000 188 2S -0.00034 -0.00006 0.00009 0.00010 -0.00007 189 17 C 1S 0.00017 0.00028 0.00030 -0.00047 -0.00004 190 2S -0.00001 -0.00054 -0.00052 0.00091 0.00006 191 2PX 0.00119 0.00112 0.00146 -0.00136 -0.00007 192 2PY -0.00442 -0.00211 -0.00064 -0.00007 0.00017 193 2PZ 0.00241 0.00153 0.00068 -0.00016 -0.00009 194 3S 0.00077 -0.00100 -0.00192 0.00247 0.00020 195 3PX 0.00031 0.00051 0.00106 -0.00105 -0.00005 196 3PY -0.00413 -0.00174 -0.00120 -0.00041 0.00016 197 3PZ 0.00143 0.00106 0.00065 -0.00058 -0.00006 198 4XX 0.00024 0.00012 0.00009 -0.00011 -0.00001 199 4YY 0.00000 0.00002 0.00001 0.00000 -0.00001 200 4ZZ -0.00018 -0.00010 -0.00003 0.00002 0.00001 201 4XY -0.00017 -0.00007 -0.00006 0.00006 0.00001 202 4XZ -0.00013 -0.00005 -0.00006 0.00001 0.00000 203 4YZ 0.00010 0.00009 0.00006 -0.00007 -0.00000 204 18 C 1S -0.00021 0.00012 -0.00033 -0.00006 -0.00009 205 2S -0.00031 -0.00064 0.00047 -0.00044 0.00016 206 2PX -0.00016 0.00034 -0.00096 0.00119 -0.00023 207 2PY 0.00295 0.00058 -0.00037 0.00075 0.00002 208 2PZ 0.00172 -0.00071 0.00061 0.00065 0.00010 209 3S -0.00103 -0.00077 0.00108 0.00069 0.00047 210 3PX -0.00175 -0.00042 -0.00098 -0.00040 -0.00020 211 3PY 0.00140 0.00021 -0.00083 0.00020 0.00004 212 3PZ 0.00172 -0.00010 -0.00003 0.00147 0.00003 213 4XX 0.00030 0.00007 0.00003 0.00002 -0.00001 214 4YY -0.00019 -0.00000 -0.00011 -0.00006 -0.00001 215 4ZZ -0.00006 -0.00004 0.00002 -0.00006 0.00000 216 4XY 0.00029 0.00007 0.00001 0.00012 0.00001 217 4XZ -0.00038 -0.00008 -0.00001 -0.00011 -0.00001 218 4YZ -0.00004 0.00007 0.00007 -0.00012 0.00001 219 19 H 1S -0.00211 -0.00001 0.00024 -0.00100 0.00006 220 2S -0.00052 0.00053 -0.00074 -0.00083 -0.00004 221 20 H 1S -0.00141 -0.00088 -0.00007 0.00011 -0.00002 222 2S -0.00241 -0.00073 -0.00063 -0.00014 -0.00017 223 21 H 1S -0.00039 0.00003 0.00014 -0.00006 0.00002 224 2S -0.00051 0.00018 0.00041 -0.00011 -0.00002 225 22 H 1S 0.00195 0.00090 0.00083 -0.00052 -0.00004 226 2S 0.00222 0.00126 0.00118 -0.00099 -0.00005 227 23 H 1S -0.00041 -0.00116 -0.00059 0.00044 -0.00003 228 2S -0.00177 0.00003 -0.00043 0.00298 -0.00002 229 24 H 1S -0.00117 0.00130 -0.00046 -0.00084 -0.00004 230 2S -0.00170 0.00113 -0.00090 -0.00041 -0.00005 231 25 H 1S 0.00506 0.00447 -0.00296 0.00524 -0.00043 232 2S 0.00692 0.00564 -0.00562 0.00627 -0.00080 233 26 H 1S 0.00052 -0.00228 -0.00163 -0.00370 -0.00014 234 2S 0.00337 -0.00164 -0.00342 -0.00513 -0.00036 235 27 H 1S 0.01618 0.00805 -0.00334 0.00667 -0.00051 236 2S 0.01271 0.00771 0.00099 0.00239 -0.00057 237 28 Br 1S 0.00197 -0.00439 -0.00318 -0.00209 0.00014 238 2S -0.01036 0.02062 0.01578 0.01056 -0.00057 239 3S 0.00892 -0.01313 -0.01183 -0.00820 0.00017 240 4S 0.01397 -0.01948 -0.01765 -0.01264 0.00024 241 5S -0.00656 -0.00366 0.00850 0.00754 0.00120 242 6S 0.00307 0.00038 -0.01289 -0.00886 -0.00116 243 7PX 0.00438 0.00107 -0.00142 0.00033 -0.00001 244 7PY -0.00264 -0.00430 -0.00178 -0.00228 0.00056 245 7PZ -0.00274 -0.00304 -0.00249 -0.00306 0.00013 246 8PX -0.02657 -0.00148 0.01109 0.00641 0.00026 247 8PY 0.01313 0.00094 -0.00635 0.00265 -0.00087 248 8PZ 0.01642 0.01024 -0.00255 0.01205 -0.00024 249 9PX 0.05382 0.00191 -0.02339 -0.01527 -0.00059 250 9PY -0.02586 0.00295 0.01675 -0.00253 0.00138 251 9PZ -0.03267 -0.01915 0.00801 -0.02354 0.00033 252 10PX 0.04307 0.00108 -0.01674 -0.01014 -0.00014 253 10PY -0.01882 0.00175 0.00952 -0.00627 0.00074 254 10PZ -0.02466 -0.01483 0.00567 -0.01932 0.00024 255 11XX -0.00472 0.00808 0.00678 0.00478 -0.00021 256 11YY -0.00549 0.00731 0.00772 0.00382 -0.00012 257 11ZZ -0.00407 0.00949 0.00619 0.00532 -0.00019 258 11XY -0.00287 0.00080 0.00083 0.00002 0.00003 259 11XZ -0.00232 -0.00103 0.00178 0.00011 0.00010 260 11YZ 0.00337 0.00125 -0.00132 -0.00087 -0.00005 261 12XX -0.00119 0.00223 0.00447 0.00247 0.00020 262 12YY -0.00302 0.00265 0.00443 0.00362 0.00025 263 12ZZ -0.00430 0.00074 0.00511 0.00298 0.00026 264 12XY 0.00021 -0.00034 0.00106 0.00117 0.00005 265 12XZ 0.00051 -0.00031 -0.00134 -0.00207 -0.00012 266 12YZ -0.00194 -0.00037 0.00049 0.00105 0.00006 267 29 C 1S 0.00167 0.00028 -0.00069 -0.00154 0.00008 268 2S -0.00422 -0.00027 0.00193 0.00348 -0.00005 269 2PX 0.01392 0.01204 -0.00208 -0.00069 0.00033 270 2PY 0.00244 -0.00522 0.00253 -0.00714 0.00054 271 2PZ 0.01707 0.00247 -0.00015 -0.00422 0.00043 272 3S -0.00919 -0.00363 0.00004 0.00537 -0.00010 273 3PX 0.00493 0.00562 -0.00210 0.00176 0.00056 274 3PY 0.00463 -0.00157 0.00173 -0.00211 0.00030 275 3PZ 0.00962 0.00205 0.00401 -0.00269 0.00043 276 4XX -0.00018 -0.00036 0.00006 -0.00033 0.00004 277 4YY 0.00066 0.00038 0.00026 -0.00021 -0.00001 278 4ZZ 0.00019 0.00024 -0.00033 0.00033 -0.00003 279 4XY -0.00006 0.00021 -0.00000 -0.00050 -0.00003 280 4XZ -0.00025 0.00007 -0.00043 -0.00008 -0.00004 281 4YZ -0.00110 -0.00049 0.00012 0.00011 -0.00001 282 30 H 1S -0.00582 -0.00758 0.00150 -0.00104 0.00001 283 2S -0.00420 -0.00552 -0.00146 -0.00087 0.00018 284 31 H 1S 0.00859 0.00494 -0.00183 0.00139 -0.00000 285 2S 0.00795 0.00378 -0.00462 -0.00027 -0.00028 286 32 H 1S 0.00364 0.00250 0.00138 -0.00320 0.00021 287 2S 0.00334 0.00164 0.00196 -0.00652 -0.00008 288 33 H 1S -0.01508 0.00046 -0.00251 0.01221 -0.00034 289 2S -0.01481 0.00061 -0.00867 0.00613 -0.00154 290 34 H 1S 0.04045 0.01428 0.02517 -0.00997 -0.00232 291 2S 0.03769 0.02189 0.02587 -0.01395 -0.00281 292 35 H 1S -0.03781 -0.00907 -0.02618 0.00084 -0.00293 293 2S -0.02898 -0.01080 -0.03534 -0.00750 -0.00354 294 36 H 1S -0.04507 -0.00725 -0.00996 0.00277 -0.00308 295 2S -0.03705 -0.00585 -0.01552 0.01003 -0.00274 296 37 H 1S 0.11278 0.00101 -0.08401 -0.09329 -0.00825 297 2S 0.02773 0.00171 -0.06955 -0.07454 -0.00741 298 38 H 1S 0.10019 -0.11462 0.03412 0.03956 0.01334 299 2S 0.02275 -0.09016 0.02568 0.03161 0.01140 300 39 H 1S -0.02441 -0.00322 -0.00911 -0.01767 -0.00281 301 2S -0.01851 -0.00314 -0.01592 -0.02778 -0.00317 302 40 H 1S -0.02401 0.00233 0.01864 -0.00712 -0.00202 303 2S -0.01603 0.00490 0.02847 -0.00974 -0.00088 26 27 28 29 30 26 4YY 0.00086 27 4ZZ 0.00019 0.00100 28 4XY 0.00035 -0.00005 0.00080 29 4XZ 0.00016 0.00039 -0.00006 0.00063 30 4YZ -0.00002 0.00020 0.00012 -0.00004 0.00163 31 3 C 1S -0.00338 0.00166 -0.00450 0.00130 0.00210 32 2S 0.00524 -0.00389 0.00847 -0.00264 -0.00393 33 2PX -0.00728 0.00190 -0.00206 -0.00036 0.00446 34 2PY 0.00519 0.00603 -0.00752 0.00487 0.00315 35 2PZ 0.00359 -0.00623 0.00486 0.00353 0.00916 36 3S 0.00585 -0.00373 0.00857 -0.00223 -0.00474 37 3PX -0.00325 0.00075 -0.00081 0.00019 0.00221 38 3PY 0.00209 0.00276 -0.00362 0.00247 0.00163 39 3PZ 0.00185 -0.00304 0.00241 0.00163 0.00445 40 4XX -0.00060 -0.00017 -0.00023 -0.00044 0.00014 41 4YY 0.00024 0.00011 0.00014 0.00031 0.00030 42 4ZZ 0.00029 0.00025 -0.00029 0.00022 -0.00024 43 4XY 0.00003 -0.00026 0.00020 -0.00009 0.00028 44 4XZ 0.00024 0.00035 -0.00001 0.00010 -0.00007 45 4YZ 0.00034 -0.00003 0.00021 0.00017 0.00104 46 4 C 1S 0.00084 0.00001 -0.00031 0.00080 -0.00010 47 2S -0.00234 -0.00029 0.00040 -0.00158 0.00020 48 2PX 0.00564 0.00145 -0.00228 0.00434 0.00016 49 2PY -0.00059 -0.00039 0.00063 0.00019 -0.00023 50 2PZ -0.00149 0.00010 0.00132 -0.00041 0.00019 51 3S -0.00315 -0.00136 -0.00040 -0.00229 0.00074 52 3PX 0.00336 0.00044 0.00002 0.00234 -0.00027 53 3PY -0.00062 -0.00001 -0.00007 -0.00023 -0.00010 54 3PZ -0.00059 0.00031 0.00076 -0.00023 0.00094 55 4XX -0.00002 -0.00010 0.00033 -0.00015 -0.00024 56 4YY 0.00015 0.00010 -0.00015 0.00015 0.00009 57 4ZZ 0.00011 0.00006 -0.00012 0.00007 0.00010 58 4XY 0.00001 -0.00010 0.00014 0.00004 -0.00004 59 4XZ -0.00002 0.00020 -0.00022 -0.00002 -0.00020 60 4YZ 0.00004 -0.00004 -0.00000 0.00001 0.00021 61 5 C 1S -0.00012 -0.00004 0.00008 0.00011 0.00016 62 2S 0.00055 0.00050 -0.00006 -0.00033 -0.00020 63 2PX -0.00068 -0.00059 0.00005 0.00077 0.00020 64 2PY 0.00015 0.00080 -0.00132 0.00105 -0.00069 65 2PZ 0.00042 -0.00046 0.00105 -0.00063 0.00010 66 3S 0.00077 0.00007 -0.00108 -0.00155 -0.00269 67 3PX -0.00027 0.00039 0.00031 0.00064 0.00056 68 3PY -0.00042 0.00070 -0.00066 0.00072 -0.00099 69 3PZ 0.00045 -0.00147 0.00071 -0.00047 -0.00058 70 4XX -0.00018 -0.00013 -0.00005 0.00000 0.00010 71 4YY 0.00003 0.00007 0.00007 -0.00001 -0.00003 72 4ZZ 0.00011 0.00006 -0.00003 0.00005 0.00003 73 4XY 0.00014 -0.00004 -0.00007 0.00002 -0.00003 74 4XZ -0.00006 0.00003 -0.00000 -0.00004 -0.00004 75 4YZ -0.00001 -0.00005 -0.00006 -0.00001 -0.00004 76 6 C 1S -0.00035 0.00070 0.00118 -0.00029 -0.00010 77 2S 0.00021 -0.00208 -0.00239 0.00058 0.00030 78 2PX 0.00068 0.00455 0.00566 -0.00211 -0.00012 79 2PY -0.00032 -0.00090 -0.00093 0.00062 0.00128 80 2PZ -0.00081 0.00125 0.00143 0.00020 0.00259 81 3S -0.00126 -0.00309 -0.00433 -0.00056 0.00122 82 3PX 0.00122 0.00260 0.00316 0.00049 0.00034 83 3PY -0.00051 0.00094 0.00074 0.00074 0.00100 84 3PZ -0.00035 0.00062 0.00027 0.00004 0.00197 85 4XX 0.00010 -0.00006 -0.00017 0.00018 -0.00031 86 4YY -0.00004 0.00022 0.00013 -0.00004 0.00003 87 4ZZ -0.00001 0.00014 0.00016 -0.00009 0.00020 88 4XY 0.00024 -0.00025 0.00012 -0.00033 0.00006 89 4XZ 0.00005 -0.00009 -0.00011 0.00014 -0.00023 90 4YZ -0.00003 0.00005 -0.00004 -0.00002 0.00016 91 7 C 1S 0.00015 -0.00048 -0.00019 -0.00014 0.00010 92 2S -0.00037 0.00097 0.00026 0.00035 -0.00030 93 2PX 0.00067 -0.00142 -0.00058 -0.00027 -0.00001 94 2PY 0.00017 0.00145 0.00103 0.00002 -0.00089 95 2PZ -0.00011 -0.00102 -0.00058 0.00009 -0.00068 96 3S -0.00143 0.00261 0.00092 0.00166 -0.00095 97 3PX -0.00009 0.00007 -0.00076 0.00028 0.00040 98 3PY -0.00001 0.00076 0.00092 -0.00001 -0.00114 99 3PZ -0.00002 -0.00042 -0.00051 0.00014 -0.00006 100 4XX 0.00003 -0.00014 -0.00011 -0.00001 0.00003 101 4YY 0.00000 0.00008 0.00008 0.00002 0.00001 102 4ZZ -0.00002 0.00008 -0.00000 0.00001 0.00008 103 4XY -0.00002 0.00008 0.00006 0.00001 -0.00003 104 4XZ 0.00002 -0.00002 -0.00004 -0.00002 0.00002 105 4YZ 0.00000 -0.00002 0.00002 0.00003 0.00012 106 8 C 1S -0.00006 0.00022 0.00016 0.00004 0.00002 107 2S 0.00007 -0.00037 -0.00032 -0.00005 0.00002 108 2PX -0.00034 0.00124 0.00075 0.00018 0.00007 109 2PY -0.00002 -0.00029 -0.00026 0.00010 0.00005 110 2PZ -0.00000 0.00033 0.00015 0.00000 0.00016 111 3S 0.00067 -0.00171 -0.00020 -0.00108 -0.00040 112 3PX -0.00037 0.00129 0.00030 0.00053 0.00023 113 3PY 0.00010 -0.00026 -0.00023 0.00006 0.00003 114 3PZ -0.00008 0.00034 0.00003 0.00005 -0.00002 115 4XX -0.00000 -0.00005 -0.00002 -0.00001 -0.00002 116 4YY -0.00001 0.00005 0.00003 0.00001 0.00000 117 4ZZ -0.00000 0.00005 0.00001 0.00001 0.00004 118 4XY -0.00001 -0.00003 -0.00003 -0.00000 0.00003 119 4XZ 0.00001 0.00000 0.00002 -0.00000 0.00002 120 4YZ -0.00000 -0.00001 0.00001 0.00000 -0.00000 121 9 C 1S 0.00001 -0.00003 0.00011 -0.00005 -0.00001 122 2S 0.00002 0.00003 -0.00019 0.00006 0.00001 123 2PX 0.00002 -0.00013 0.00024 -0.00017 -0.00007 124 2PY 0.00027 0.00012 -0.00014 0.00005 -0.00010 125 2PZ -0.00025 -0.00025 0.00021 -0.00009 -0.00003 126 3S 0.00045 0.00011 -0.00057 0.00033 0.00003 127 3PX 0.00006 -0.00027 0.00020 -0.00023 -0.00005 128 3PY 0.00026 0.00020 -0.00010 0.00008 -0.00012 129 3PZ -0.00034 -0.00019 0.00032 -0.00019 -0.00001 130 4XX -0.00001 -0.00004 -0.00000 -0.00001 0.00002 131 4YY -0.00001 0.00001 0.00001 -0.00000 -0.00000 132 4ZZ 0.00002 0.00001 0.00001 0.00000 -0.00001 133 4XY 0.00001 0.00001 -0.00000 0.00000 -0.00002 134 4XZ -0.00000 0.00000 -0.00001 0.00000 -0.00000 135 4YZ -0.00000 -0.00003 0.00000 -0.00000 -0.00000 136 10 C 1S 0.00031 0.00016 -0.00003 -0.00002 -0.00009 137 2S -0.00049 -0.00021 0.00001 -0.00002 0.00013 138 2PX 0.00092 0.00074 0.00001 -0.00007 -0.00032 139 2PY -0.00043 -0.00028 0.00005 -0.00011 0.00014 140 2PZ -0.00022 -0.00005 -0.00023 0.00008 0.00028 141 3S -0.00147 -0.00102 0.00007 -0.00029 0.00038 142 3PX 0.00075 0.00069 0.00009 0.00004 0.00001 143 3PY -0.00002 -0.00051 -0.00029 0.00007 0.00032 144 3PZ -0.00058 -0.00008 -0.00007 -0.00010 0.00014 145 4XX 0.00001 -0.00001 0.00002 -0.00001 -0.00000 146 4YY 0.00002 0.00001 -0.00002 0.00002 -0.00001 147 4ZZ 0.00001 -0.00000 0.00001 0.00001 0.00001 148 4XY -0.00001 0.00000 0.00005 -0.00004 0.00001 149 4XZ 0.00004 0.00002 -0.00004 0.00003 -0.00001 150 4YZ -0.00002 -0.00003 0.00001 -0.00000 -0.00001 151 11 C 1S 0.00005 0.00001 -0.00001 0.00008 -0.00001 152 2S -0.00008 -0.00000 0.00003 -0.00017 0.00002 153 2PX 0.00019 -0.00013 -0.00014 0.00032 0.00001 154 2PY -0.00025 -0.00003 -0.00022 0.00000 0.00001 155 2PZ 0.00029 0.00003 0.00015 0.00004 -0.00010 156 3S -0.00047 0.00027 0.00015 -0.00049 -0.00016 157 3PX 0.00004 -0.00004 -0.00017 0.00023 0.00017 158 3PY -0.00015 -0.00010 -0.00022 0.00000 0.00003 159 3PZ 0.00036 -0.00006 0.00012 0.00005 -0.00020 160 4XX -0.00001 -0.00001 -0.00000 0.00002 0.00001 161 4YY 0.00001 0.00001 0.00000 -0.00000 -0.00001 162 4ZZ -0.00000 -0.00000 -0.00001 -0.00000 0.00001 163 4XY -0.00001 -0.00000 0.00001 -0.00001 -0.00001 164 4XZ 0.00001 0.00000 -0.00000 -0.00000 -0.00001 165 4YZ 0.00002 -0.00001 0.00001 0.00001 -0.00000 166 12 H 1S -0.00016 0.00005 -0.00009 -0.00010 0.00003 167 2S 0.00022 0.00002 0.00003 0.00005 -0.00004 168 13 H 1S 0.00007 -0.00000 0.00002 0.00001 -0.00003 169 2S 0.00009 0.00003 0.00005 0.00006 -0.00002 170 14 C 1S 0.00002 0.00004 0.00000 -0.00005 -0.00001 171 2S -0.00002 -0.00002 -0.00004 0.00007 0.00005 172 2PX -0.00001 0.00011 0.00006 -0.00015 -0.00007 173 2PY 0.00001 -0.00004 0.00006 0.00006 0.00002 174 2PZ -0.00001 -0.00006 -0.00006 0.00006 0.00003 175 3S 0.00010 -0.00027 -0.00005 0.00014 -0.00010 176 3PX -0.00000 0.00015 0.00006 -0.00009 -0.00000 177 3PY 0.00001 -0.00004 0.00004 0.00003 0.00000 178 3PZ 0.00005 -0.00007 -0.00001 0.00006 -0.00004 179 4XX 0.00001 -0.00000 0.00001 -0.00001 0.00000 180 4YY -0.00001 0.00000 -0.00000 0.00000 0.00000 181 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XY 0.00001 0.00001 0.00001 -0.00000 -0.00000 183 4XZ -0.00001 0.00000 -0.00001 -0.00000 0.00000 184 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 185 15 H 1S 0.00002 0.00004 0.00008 -0.00003 -0.00002 186 2S 0.00005 0.00008 0.00011 -0.00006 -0.00005 187 16 H 1S 0.00001 0.00001 -0.00001 0.00000 -0.00001 188 2S 0.00006 0.00002 0.00001 0.00001 -0.00002 189 17 C 1S 0.00004 -0.00000 0.00001 0.00000 -0.00001 190 2S -0.00008 0.00001 0.00000 -0.00000 0.00002 191 2PX 0.00013 -0.00002 -0.00001 0.00001 -0.00001 192 2PY -0.00001 -0.00002 -0.00008 -0.00005 0.00000 193 2PZ 0.00000 0.00002 0.00007 0.00002 -0.00000 194 3S -0.00021 0.00005 -0.00002 -0.00007 0.00002 195 3PX 0.00009 -0.00003 -0.00000 0.00002 0.00000 196 3PY -0.00004 0.00000 -0.00006 -0.00003 0.00007 197 3PZ 0.00002 0.00002 0.00005 0.00003 -0.00001 198 4XX 0.00001 -0.00000 0.00000 0.00000 0.00000 199 4YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 200 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 201 4XY -0.00001 0.00000 0.00000 -0.00001 -0.00000 202 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 203 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 204 18 C 1S 0.00003 0.00005 -0.00000 0.00001 -0.00002 205 2S -0.00003 -0.00010 -0.00000 -0.00004 0.00006 206 2PX 0.00004 0.00015 -0.00002 0.00010 -0.00008 207 2PY -0.00009 -0.00004 0.00010 -0.00004 0.00002 208 2PZ 0.00002 -0.00008 -0.00004 0.00004 -0.00001 209 3S -0.00028 -0.00018 0.00003 -0.00012 0.00011 210 3PX 0.00011 0.00012 -0.00007 0.00010 0.00004 211 3PY -0.00009 -0.00002 0.00006 0.00002 0.00003 212 3PZ -0.00001 -0.00004 -0.00005 0.00002 -0.00004 213 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 214 4YY 0.00000 0.00001 -0.00000 0.00000 -0.00000 215 4ZZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 216 4XY -0.00001 -0.00000 0.00001 -0.00000 0.00001 217 4XZ 0.00002 0.00000 -0.00001 0.00000 -0.00000 218 4YZ -0.00001 -0.00001 0.00000 -0.00001 0.00000 219 19 H 1S -0.00000 -0.00003 -0.00000 -0.00004 0.00002 220 2S 0.00002 -0.00000 0.00000 0.00001 -0.00004 221 20 H 1S 0.00008 0.00002 -0.00008 0.00006 -0.00002 222 2S 0.00016 0.00010 -0.00007 0.00009 -0.00007 223 21 H 1S -0.00001 0.00001 0.00001 -0.00001 0.00000 224 2S 0.00003 0.00001 0.00001 -0.00002 -0.00003 225 22 H 1S 0.00005 -0.00003 0.00000 0.00002 0.00000 226 2S 0.00007 -0.00005 0.00001 0.00003 0.00000 227 23 H 1S -0.00002 -0.00009 0.00009 0.00002 -0.00007 228 2S 0.00015 -0.00024 -0.00003 0.00007 -0.00023 229 24 H 1S 0.00002 -0.00009 0.00002 -0.00001 -0.00009 230 2S 0.00004 -0.00007 0.00002 0.00001 -0.00010 231 25 H 1S 0.00000 0.00024 0.00018 -0.00002 -0.00017 232 2S 0.00004 0.00042 0.00026 0.00019 -0.00029 233 26 H 1S 0.00003 0.00024 0.00008 0.00000 0.00018 234 2S 0.00004 0.00042 0.00018 0.00015 0.00032 235 27 H 1S -0.00034 0.00021 0.00004 0.00019 -0.00025 236 2S 0.00005 0.00007 0.00041 -0.00019 -0.00046 237 28 Br 1S 0.00022 -0.00007 -0.00018 -0.00004 0.00006 238 2S -0.00107 0.00032 0.00085 0.00013 -0.00029 239 3S 0.00076 -0.00017 -0.00059 0.00005 0.00019 240 4S 0.00111 -0.00027 -0.00089 0.00012 0.00022 241 5S -0.00051 -0.00045 -0.00003 -0.00063 -0.00063 242 6S 0.00089 0.00072 0.00015 0.00029 0.00197 243 7PX -0.00012 0.00046 0.00016 0.00026 -0.00009 244 7PY 0.00044 -0.00027 -0.00058 -0.00045 0.00028 245 7PZ 0.00039 0.00010 -0.00014 0.00015 0.00035 246 8PX 0.00018 -0.00033 -0.00012 -0.00072 0.00024 247 8PY -0.00020 0.00012 0.00064 0.00096 -0.00078 248 8PZ -0.00019 -0.00044 -0.00020 -0.00003 -0.00108 249 9PX -0.00018 0.00030 0.00009 0.00134 -0.00035 250 9PY -0.00007 -0.00003 -0.00077 -0.00167 0.00133 251 9PZ -0.00001 0.00090 0.00060 -0.00007 0.00209 252 10PX -0.00015 -0.00008 -0.00006 0.00095 -0.00051 253 10PY -0.00002 0.00037 -0.00043 -0.00117 0.00184 254 10PZ 0.00010 0.00063 0.00046 -0.00007 0.00185 255 11XX -0.00050 0.00012 0.00034 0.00001 -0.00015 256 11YY -0.00048 0.00012 0.00040 -0.00004 -0.00006 257 11ZZ -0.00040 0.00011 0.00033 0.00008 -0.00016 258 11XY 0.00003 0.00012 0.00006 0.00008 0.00004 259 11XZ 0.00000 -0.00004 0.00002 -0.00010 -0.00003 260 11YZ 0.00001 -0.00012 -0.00001 0.00006 0.00007 261 12XX -0.00024 -0.00018 0.00014 -0.00009 -0.00035 262 12YY -0.00028 -0.00013 -0.00001 -0.00012 -0.00031 263 12ZZ -0.00045 0.00006 0.00014 -0.00009 -0.00027 264 12XY -0.00013 0.00005 0.00009 -0.00011 -0.00016 265 12XZ -0.00008 0.00022 0.00008 0.00008 0.00022 266 12YZ -0.00001 0.00004 -0.00011 -0.00006 -0.00012 267 29 C 1S -0.00004 0.00016 0.00015 0.00010 0.00030 268 2S 0.00024 -0.00017 -0.00029 -0.00028 -0.00073 269 2PX -0.00051 0.00002 0.00040 0.00063 0.00089 270 2PY -0.00053 0.00012 -0.00010 -0.00038 0.00019 271 2PZ -0.00048 -0.00048 0.00006 -0.00006 0.00004 272 3S 0.00027 0.00008 -0.00084 -0.00053 -0.00060 273 3PX -0.00034 -0.00027 0.00020 0.00038 0.00037 274 3PY -0.00020 -0.00024 -0.00006 -0.00034 -0.00040 275 3PZ -0.00046 -0.00034 -0.00003 -0.00031 -0.00068 276 4XX -0.00003 0.00000 0.00000 -0.00001 0.00002 277 4YY -0.00000 -0.00002 0.00005 -0.00002 0.00003 278 4ZZ 0.00001 0.00001 -0.00003 0.00004 -0.00005 279 4XY -0.00001 0.00005 0.00004 0.00001 0.00007 280 4XZ 0.00003 0.00001 0.00002 0.00002 0.00002 281 4YZ 0.00002 0.00002 -0.00000 -0.00004 -0.00001 282 30 H 1S 0.00015 -0.00008 -0.00024 -0.00040 -0.00030 283 2S 0.00007 -0.00007 0.00008 0.00011 0.00056 284 31 H 1S -0.00004 -0.00027 -0.00004 0.00021 -0.00014 285 2S 0.00005 -0.00001 0.00007 0.00042 0.00017 286 32 H 1S -0.00029 0.00014 0.00015 -0.00002 0.00038 287 2S -0.00018 0.00035 0.00043 0.00000 0.00080 288 33 H 1S 0.00067 -0.00003 -0.00088 0.00002 0.00089 289 2S 0.00151 0.00040 -0.00064 0.00073 0.00208 290 34 H 1S 0.00099 -0.00019 0.00019 0.00092 -0.00021 291 2S 0.00134 -0.00039 0.00079 0.00092 -0.00041 292 35 H 1S 0.00646 -0.00103 0.00232 0.00323 0.00550 293 2S 0.00462 0.00072 0.00057 0.00338 0.00689 294 36 H 1S 0.00296 0.00335 -0.00148 -0.00078 -0.00737 295 2S 0.00111 0.00352 -0.00300 0.00041 -0.00602 296 37 H 1S 0.00179 0.00637 0.00132 0.00214 0.01496 297 2S 0.00252 0.00610 0.00181 0.00251 0.01233 298 38 H 1S -0.00705 -0.00609 -0.00683 -0.00762 0.00244 299 2S -0.00536 -0.00478 -0.00520 -0.00591 0.00110 300 39 H 1S -0.00273 0.00804 0.00177 0.00224 0.00205 301 2S -0.00141 0.00616 0.00221 0.00120 0.00476 302 40 H 1S 0.00523 -0.00073 0.00191 -0.00248 -0.00492 303 2S 0.00409 -0.00231 0.00302 -0.00314 -0.00265 31 32 33 34 35 31 3 C 1S 2.05107 32 2S -0.05248 0.30211 33 2PX 0.00211 -0.00361 0.37977 34 2PY -0.00529 0.00379 -0.00545 0.39331 35 2PZ 0.00093 -0.00425 0.00894 0.00151 0.41279 36 3S -0.18753 0.28198 0.00440 0.01613 0.00775 37 3PX -0.00246 0.00065 0.16537 -0.00545 0.01219 38 3PY 0.00153 0.00173 -0.00600 0.17084 -0.00387 39 3PZ -0.00234 0.00109 0.00917 0.00507 0.19707 40 4XX -0.01491 -0.00645 0.01193 -0.00900 -0.00481 41 4YY -0.01676 -0.00288 -0.00699 -0.00052 0.00749 42 4ZZ -0.01805 0.00032 -0.00718 0.01526 -0.00367 43 4XY 0.00105 -0.00191 -0.00831 -0.00855 0.00678 44 4XZ -0.00109 0.00236 -0.00467 0.00670 -0.00892 45 4YZ -0.00023 0.00028 0.00685 0.00949 0.02017 46 4 C 1S 0.01047 -0.01955 -0.06154 0.01945 0.00863 47 2S -0.01963 0.03191 0.12737 -0.03830 -0.02047 48 2PX 0.06036 -0.12095 -0.28582 0.08317 0.05608 49 2PY -0.01344 0.02808 0.07317 -0.01267 -0.01848 50 2PZ -0.01544 0.03101 0.06764 -0.01929 0.00063 51 3S 0.00954 -0.00147 0.11859 -0.05445 -0.00189 52 3PX 0.01147 -0.03566 -0.13005 0.03325 0.04052 53 3PY -0.00242 0.00788 0.03259 -0.00376 -0.01700 54 3PZ -0.00375 0.00945 0.03229 -0.01004 0.00532 55 4XX -0.00575 0.01015 0.00417 -0.00543 -0.00489 56 4YY 0.00156 -0.00380 -0.00546 0.00523 0.00136 57 4ZZ 0.00174 -0.00434 -0.00615 0.00366 0.00385 58 4XY 0.00250 -0.00446 -0.00514 -0.00882 0.00196 59 4XZ 0.00165 -0.00305 -0.00515 0.00245 -0.00914 60 4YZ -0.00034 0.00057 0.00279 0.00215 0.00480 61 5 C 1S -0.00199 0.00351 0.00940 -0.00471 0.00539 62 2S 0.00422 -0.00934 -0.02522 0.01170 -0.00956 63 2PX -0.00749 0.01884 0.03490 -0.01572 0.00488 64 2PY 0.00561 -0.01538 -0.02840 0.01255 -0.01383 65 2PZ -0.00451 0.00968 0.02322 -0.01772 0.00952 66 3S 0.00106 -0.00107 -0.02516 0.02643 -0.04800 67 3PX -0.00367 0.00116 0.00120 -0.01322 -0.00417 68 3PY 0.00406 -0.00588 -0.01901 -0.00385 -0.03212 69 3PZ -0.00083 0.00471 0.01600 -0.02707 0.02321 70 4XX -0.00122 0.00220 0.00666 -0.00158 0.00036 71 4YY -0.00018 0.00002 -0.00005 -0.00037 -0.00022 72 4ZZ 0.00056 -0.00152 -0.00409 0.00158 0.00068 73 4XY 0.00100 -0.00168 -0.00568 0.00228 0.00032 74 4XZ -0.00034 0.00068 0.00243 -0.00055 -0.00038 75 4YZ -0.00025 0.00050 0.00079 -0.00030 -0.00077 76 6 C 1S -0.00199 0.00432 0.00259 -0.00653 0.00206 77 2S 0.00444 -0.00798 -0.00696 0.01613 -0.00255 78 2PX -0.00252 0.00458 -0.01436 -0.01586 0.00944 79 2PY 0.00555 -0.01057 -0.01166 0.01279 0.00307 80 2PZ -0.00111 0.00135 0.01306 -0.00791 0.01222 81 3S 0.00822 -0.02112 -0.00741 0.03600 -0.02821 82 3PX -0.00121 0.00605 -0.02157 -0.01313 0.00999 83 3PY 0.00132 -0.00806 -0.00926 -0.01225 -0.00648 84 3PZ 0.00035 -0.00053 0.01121 0.01390 0.00964 85 4XX -0.00015 0.00058 0.00128 -0.00005 -0.00002 86 4YY -0.00002 -0.00035 -0.00116 0.00051 -0.00015 87 4ZZ -0.00003 0.00022 -0.00031 -0.00016 0.00060 88 4XY -0.00006 0.00039 -0.00147 -0.00089 0.00078 89 4XZ -0.00007 -0.00007 0.00028 0.00033 -0.00005 90 4YZ 0.00015 -0.00025 0.00049 0.00051 0.00013 91 7 C 1S 0.00010 -0.00014 -0.00127 0.00020 0.00148 92 2S -0.00005 -0.00037 0.00159 0.00266 -0.00378 93 2PX -0.00059 0.00171 -0.00122 -0.00297 0.00244 94 2PY -0.00183 0.00239 0.00012 -0.00491 -0.00125 95 2PZ 0.00041 0.00015 -0.00029 0.00309 -0.00113 96 3S -0.00003 -0.00293 0.00945 -0.00980 -0.01311 97 3PX 0.00104 -0.00226 0.01030 0.01306 -0.00004 98 3PY -0.00222 0.00278 -0.00005 -0.01660 -0.00268 99 3PZ 0.00089 -0.00101 -0.00084 0.00755 -0.00047 100 4XX 0.00001 -0.00002 -0.00008 0.00033 -0.00005 101 4YY 0.00006 -0.00019 -0.00013 -0.00002 0.00025 102 4ZZ 0.00010 -0.00031 -0.00020 0.00053 -0.00003 103 4XY 0.00005 -0.00013 -0.00026 0.00033 0.00010 104 4XZ -0.00001 -0.00004 0.00006 -0.00002 -0.00016 105 4YZ 0.00002 -0.00011 0.00017 0.00006 0.00072 106 8 C 1S -0.00002 0.00007 0.00068 0.00004 0.00007 107 2S 0.00022 -0.00038 -0.00053 0.00082 -0.00052 108 2PX 0.00014 -0.00079 0.00055 0.00060 0.00004 109 2PY 0.00057 -0.00133 -0.00212 0.00188 -0.00060 110 2PZ -0.00016 -0.00021 0.00092 -0.00069 0.00023 111 3S -0.00108 0.00281 -0.01193 -0.00981 0.00246 112 3PX 0.00112 -0.00263 0.00287 0.00746 -0.00113 113 3PY 0.00071 -0.00131 -0.00262 0.00481 0.00111 114 3PZ 0.00021 -0.00063 0.00139 0.00099 0.00001 115 4XX -0.00009 0.00023 0.00035 -0.00020 -0.00014 116 4YY 0.00007 -0.00014 -0.00023 0.00012 0.00007 117 4ZZ 0.00007 -0.00016 -0.00014 0.00015 0.00004 118 4XY 0.00007 -0.00012 0.00004 0.00013 -0.00003 119 4XZ -0.00001 0.00004 -0.00000 -0.00019 0.00012 120 4YZ -0.00005 0.00013 0.00028 -0.00011 0.00003 121 9 C 1S -0.00081 0.00162 0.00358 -0.00178 0.00040 122 2S 0.00151 -0.00341 -0.00680 0.00276 -0.00100 123 2PX -0.00279 0.00525 0.01118 -0.00527 -0.00038 124 2PY 0.00230 -0.00460 -0.01204 0.00288 -0.00025 125 2PZ -0.00197 0.00410 0.01192 -0.00533 -0.00193 126 3S 0.00456 -0.00916 -0.02741 0.01427 0.00231 127 3PX -0.00133 0.00285 0.00494 -0.00602 0.00113 128 3PY 0.00202 -0.00406 -0.01285 0.00491 -0.00098 129 3PZ -0.00261 0.00474 0.01481 -0.01122 -0.00385 130 4XX -0.00022 0.00043 0.00104 -0.00041 0.00016 131 4YY -0.00003 0.00003 0.00010 -0.00008 0.00005 132 4ZZ 0.00012 -0.00026 -0.00070 0.00014 -0.00013 133 4XY 0.00014 -0.00031 -0.00077 0.00019 -0.00027 134 4XZ 0.00003 -0.00005 -0.00005 0.00001 -0.00017 135 4YZ -0.00014 0.00024 0.00056 -0.00030 -0.00006 136 10 C 1S 0.00144 -0.00387 -0.00971 0.00329 0.00117 137 2S -0.00352 0.00673 0.01840 -0.00637 -0.00267 138 2PX 0.00656 -0.01554 -0.03726 0.01230 0.00278 139 2PY -0.00370 0.00737 0.01895 -0.00498 -0.00065 140 2PZ 0.00051 0.00083 0.00292 -0.00031 0.00316 141 3S -0.00491 0.01784 0.05877 -0.02367 -0.00051 142 3PX 0.00138 -0.00838 -0.02370 0.01060 -0.00161 143 3PY -0.00048 0.00353 0.00927 0.00585 0.01013 144 3PZ -0.00131 0.00369 0.01750 -0.00591 -0.00070 145 4XX 0.00012 -0.00000 -0.00048 -0.00005 0.00004 146 4YY 0.00005 -0.00046 -0.00089 0.00039 -0.00000 147 4ZZ -0.00008 -0.00016 -0.00004 -0.00013 0.00028 148 4XY -0.00028 0.00036 0.00119 -0.00058 0.00009 149 4XZ 0.00037 -0.00098 -0.00240 0.00094 -0.00005 150 4YZ -0.00026 0.00068 0.00161 -0.00053 -0.00014 151 11 C 1S 0.00051 -0.00076 -0.00292 0.00039 0.00060 152 2S -0.00091 0.00143 0.00503 -0.00058 -0.00078 153 2PX 0.00240 -0.00193 -0.00964 0.00192 0.00150 154 2PY -0.00118 0.00191 0.00684 0.00005 -0.00284 155 2PZ 0.00191 -0.00290 -0.00925 0.00065 0.00151 156 3S -0.00278 0.00291 0.01765 -0.00381 -0.00755 157 3PX 0.00043 -0.00051 -0.00088 0.00382 0.00185 158 3PY -0.00089 0.00185 0.00631 0.00063 -0.00252 159 3PZ 0.00230 -0.00354 -0.01486 -0.00077 0.00227 160 4XX -0.00013 0.00017 0.00029 -0.00026 -0.00003 161 4YY 0.00010 -0.00022 -0.00058 0.00014 -0.00007 162 4ZZ -0.00004 0.00006 0.00016 0.00012 0.00003 163 4XY -0.00003 0.00010 0.00035 -0.00019 -0.00015 164 4XZ 0.00004 -0.00013 -0.00031 0.00012 -0.00002 165 4YZ 0.00006 -0.00006 -0.00040 -0.00003 0.00012 166 12 H 1S -0.00143 0.00111 0.00536 -0.00026 -0.00110 167 2S 0.00085 -0.00210 -0.01108 -0.00023 0.00315 168 13 H 1S 0.00056 -0.00052 -0.00200 0.00070 0.00009 169 2S 0.00064 -0.00073 -0.00268 0.00083 0.00027 170 14 C 1S -0.00017 -0.00014 0.00039 0.00011 -0.00021 171 2S -0.00007 -0.00001 0.00014 0.00003 0.00017 172 2PX -0.00063 -0.00041 0.00164 0.00007 -0.00077 173 2PY 0.00040 0.00030 -0.00127 -0.00008 0.00086 174 2PZ -0.00014 0.00003 0.00030 -0.00008 0.00023 175 3S 0.00204 -0.00077 -0.00781 -0.00255 0.00175 176 3PX -0.00062 -0.00041 0.00159 0.00073 -0.00102 177 3PY -0.00000 0.00029 -0.00104 -0.00067 0.00008 178 3PZ 0.00047 -0.00026 -0.00242 -0.00075 0.00027 179 4XX -0.00002 0.00002 0.00000 -0.00000 0.00006 180 4YY -0.00007 0.00004 0.00020 -0.00000 -0.00009 181 4ZZ -0.00001 -0.00004 -0.00007 0.00005 -0.00002 182 4XY 0.00002 -0.00011 -0.00030 0.00007 0.00005 183 4XZ -0.00009 0.00009 0.00040 -0.00004 -0.00009 184 4YZ 0.00004 -0.00002 -0.00017 0.00001 -0.00000 185 15 H 1S 0.00005 -0.00028 -0.00085 0.00009 0.00038 186 2S 0.00015 -0.00047 -0.00136 0.00022 0.00047 187 16 H 1S 0.00017 -0.00022 -0.00071 0.00005 -0.00025 188 2S 0.00025 -0.00041 -0.00168 0.00007 -0.00035 189 17 C 1S 0.00022 -0.00024 -0.00118 0.00012 0.00017 190 2S -0.00027 0.00047 0.00192 -0.00016 -0.00018 191 2PX 0.00055 -0.00045 -0.00266 0.00028 0.00059 192 2PY -0.00047 0.00014 0.00174 -0.00026 -0.00054 193 2PZ 0.00053 -0.00008 -0.00190 0.00032 0.00031 194 3S -0.00172 0.00175 0.00682 -0.00040 -0.00156 195 3PX 0.00063 -0.00057 -0.00246 0.00023 0.00100 196 3PY -0.00046 0.00034 0.00289 0.00037 -0.00000 197 3PZ 0.00052 -0.00027 -0.00183 -0.00027 0.00037 198 4XX -0.00001 0.00004 -0.00005 -0.00002 0.00007 199 4YY 0.00005 -0.00009 -0.00021 0.00007 -0.00000 200 4ZZ 0.00001 -0.00001 0.00001 -0.00000 -0.00001 201 4XY -0.00003 0.00005 0.00016 -0.00005 -0.00004 202 4XZ -0.00000 -0.00004 -0.00001 0.00007 -0.00006 203 4YZ 0.00002 0.00002 -0.00006 -0.00001 -0.00000 204 18 C 1S 0.00035 -0.00083 -0.00198 0.00062 -0.00025 205 2S -0.00082 0.00148 0.00368 -0.00111 0.00056 206 2PX 0.00183 -0.00333 -0.00819 0.00272 -0.00060 207 2PY -0.00114 0.00226 0.00494 -0.00141 0.00023 208 2PZ -0.00030 0.00055 0.00147 -0.00050 0.00087 209 3S -0.00173 0.00413 0.01337 -0.00425 0.00013 210 3PX 0.00146 -0.00309 -0.00763 0.00398 0.00040 211 3PY -0.00058 0.00161 0.00490 -0.00119 0.00024 212 3PZ -0.00053 0.00073 0.00202 0.00020 -0.00033 213 4XX 0.00002 -0.00005 -0.00019 0.00008 -0.00004 214 4YY 0.00004 -0.00012 -0.00028 0.00008 -0.00003 215 4ZZ -0.00004 0.00001 0.00011 -0.00005 -0.00004 216 4XY -0.00006 0.00014 0.00041 -0.00011 0.00004 217 4XZ 0.00011 -0.00024 -0.00068 0.00018 0.00005 218 4YZ -0.00007 0.00017 0.00041 -0.00021 -0.00008 219 19 H 1S -0.00010 0.00016 0.00066 -0.00056 -0.00037 220 2S -0.00001 0.00008 0.00045 -0.00037 -0.00117 221 20 H 1S 0.00078 -0.00163 -0.00384 0.00138 0.00030 222 2S 0.00131 -0.00270 -0.00773 0.00244 0.00027 223 21 H 1S 0.00013 0.00006 -0.00019 0.00007 -0.00017 224 2S 0.00019 -0.00014 -0.00119 0.00007 -0.00046 225 22 H 1S 0.00011 0.00012 -0.00052 -0.00011 0.00050 226 2S 0.00012 0.00031 -0.00061 -0.00053 0.00065 227 23 H 1S -0.00108 0.00149 0.00464 -0.00225 -0.00117 228 2S -0.00011 -0.00034 0.00032 0.00077 0.00356 229 24 H 1S -0.00002 -0.00007 -0.00016 -0.00074 -0.00142 230 2S -0.00014 0.00042 0.00081 0.00017 -0.00129 231 25 H 1S -0.00015 0.00041 -0.00003 -0.00038 0.00004 232 2S 0.00017 -0.00028 -0.00095 0.00127 0.00041 233 26 H 1S 0.00007 -0.00054 -0.00044 -0.00009 0.00041 234 2S 0.00025 -0.00092 -0.00154 0.00080 0.00078 235 27 H 1S 0.00079 -0.00101 -0.00062 0.00279 -0.00133 236 2S -0.00028 0.00079 -0.00256 -0.00402 0.00195 237 28 Br 1S -0.00021 -0.00113 -0.00009 0.00045 0.00005 238 2S 0.00097 0.00546 0.00054 -0.00272 -0.00024 239 3S -0.00061 -0.00386 -0.00061 0.00296 0.00020 240 4S -0.00070 -0.00560 -0.00103 0.00440 -0.00004 241 5S -0.00075 0.00172 0.00116 -0.00956 -0.00366 242 6S 0.00005 -0.00395 0.00010 0.01342 0.01016 243 7PX 0.00009 0.00006 0.00025 0.00056 0.00029 244 7PY -0.00015 -0.00113 0.00036 -0.00062 0.00100 245 7PZ 0.00012 -0.00071 0.00021 -0.00003 0.00102 246 8PX -0.00009 0.00053 -0.00095 -0.00201 -0.00086 247 8PY -0.00022 0.00065 -0.00127 0.00240 -0.00260 248 8PZ -0.00049 0.00166 -0.00019 0.00006 -0.00328 249 9PX 0.00015 -0.00143 0.00201 0.00437 0.00188 250 9PY 0.00059 0.00017 0.00248 -0.00558 0.00438 251 9PZ 0.00100 -0.00298 0.00020 0.00008 0.00633 252 10PX 0.00004 -0.00073 0.00045 0.00270 0.00089 253 10PY 0.00056 -0.00096 0.00283 -0.00116 0.00642 254 10PZ 0.00087 -0.00272 0.00037 0.00166 0.00639 255 11XX 0.00050 0.00227 0.00011 -0.00133 -0.00052 256 11YY 0.00035 0.00238 0.00050 -0.00186 0.00005 257 11ZZ 0.00047 0.00238 0.00028 -0.00129 0.00002 258 11XY 0.00009 -0.00004 0.00014 0.00047 0.00009 259 11XZ -0.00005 0.00012 -0.00027 -0.00013 0.00012 260 11YZ 0.00007 0.00002 0.00006 0.00005 0.00070 261 12XX -0.00001 0.00182 0.00058 -0.00413 -0.00101 262 12YY 0.00025 0.00126 -0.00035 -0.00207 -0.00186 263 12ZZ 0.00021 0.00111 0.00038 -0.00320 -0.00223 264 12XY -0.00014 0.00028 -0.00041 -0.00130 -0.00051 265 12XZ 0.00014 -0.00040 0.00041 0.00067 -0.00000 266 12YZ -0.00008 0.00011 -0.00004 0.00044 -0.00207 267 29 C 1S -0.00104 0.00227 0.00323 0.00164 0.00483 268 2S 0.00176 -0.00354 -0.00674 -0.00556 -0.01068 269 2PX -0.00463 0.01261 0.01237 0.01227 0.02253 270 2PY 0.00187 -0.00304 0.00302 -0.00797 -0.01015 271 2PZ -0.00147 0.00394 0.00844 -0.00200 0.00156 272 3S 0.00374 -0.00982 -0.01381 0.00383 -0.01958 273 3PX -0.00428 0.01018 0.01419 0.00653 0.01801 274 3PY 0.00094 -0.00149 0.00216 -0.00825 -0.00924 275 3PZ 0.00062 0.00056 -0.00008 -0.01246 -0.01597 276 4XX -0.00005 -0.00009 0.00052 -0.00076 -0.00023 277 4YY -0.00019 0.00045 0.00058 -0.00050 0.00050 278 4ZZ -0.00008 -0.00009 -0.00099 0.00068 -0.00015 279 4XY 0.00002 -0.00012 -0.00086 0.00073 0.00071 280 4XZ -0.00020 0.00007 -0.00031 0.00107 0.00118 281 4YZ 0.00019 -0.00036 -0.00034 -0.00035 -0.00084 282 30 H 1S 0.00231 -0.00605 -0.00197 -0.00842 -0.01059 283 2S -0.00186 0.00262 0.01176 0.00024 0.01257 284 31 H 1S -0.00144 0.00342 0.00120 0.00487 0.00495 285 2S -0.00151 0.00299 0.00099 0.00963 0.00992 286 32 H 1S 0.00004 0.00158 0.00174 -0.00010 0.00265 287 2S 0.00020 0.00067 -0.00084 0.00052 0.00665 288 33 H 1S 0.00791 -0.01989 -0.02118 0.01695 0.02306 289 2S 0.00941 -0.02094 -0.03554 0.03991 0.04587 290 34 H 1S 0.00847 -0.01865 -0.03012 -0.01151 0.00601 291 2S 0.00910 -0.01812 -0.05363 -0.02291 0.00970 292 35 H 1S -0.05317 0.09978 -0.00884 0.17919 0.19950 293 2S -0.00521 0.01801 -0.00682 0.14855 0.16882 294 36 H 1S -0.05395 0.10508 -0.10016 0.11265 -0.22242 295 2S -0.00849 0.02585 -0.07988 0.08823 -0.17601 296 37 H 1S 0.00768 -0.01958 0.01465 0.03040 0.01318 297 2S 0.00905 -0.02017 0.02051 0.06175 0.03270 298 38 H 1S 0.00824 -0.01822 0.02981 0.00961 -0.01082 299 2S 0.00862 -0.01691 0.05608 0.01583 -0.02026 300 39 H 1S 0.00292 -0.00657 0.00648 0.00874 -0.01199 301 2S 0.00232 -0.00655 0.00531 0.01803 -0.00103 302 40 H 1S -0.00737 0.01596 -0.01710 -0.02778 0.01572 303 2S -0.00771 0.01917 -0.02203 -0.04406 0.03200 36 37 38 39 40 36 3S 0.28792 37 3PX 0.00729 0.07589 38 3PY 0.00218 -0.00442 0.07752 39 3PZ 0.00687 0.00719 -0.00026 0.09502 40 4XX -0.00612 0.00466 -0.00403 -0.00230 0.00139 41 4YY -0.00178 -0.00265 0.00017 0.00341 -0.00033 42 4ZZ 0.00195 -0.00318 0.00661 -0.00167 -0.00050 43 4XY -0.00255 -0.00284 -0.00360 0.00282 0.00005 44 4XZ 0.00270 -0.00227 0.00305 -0.00423 -0.00031 45 4YZ 0.00117 0.00310 0.00371 0.00996 -0.00028 46 4 C 1S 0.00795 -0.01218 0.00502 0.00216 -0.00607 47 2S 0.00101 0.03717 -0.01269 -0.00594 0.01070 48 2PX -0.12963 -0.12964 0.04187 0.02118 -0.00547 49 2PY 0.02507 0.04550 -0.00842 -0.01131 0.00708 50 2PZ 0.04414 0.02677 -0.00752 -0.00123 0.00389 51 3S -0.03744 0.02910 -0.01764 0.00280 0.01175 52 3PX -0.03583 -0.05688 0.01560 0.01684 -0.00321 53 3PY 0.00610 0.02030 -0.00361 -0.00947 0.00365 54 3PZ 0.01357 0.01168 -0.00305 0.00148 0.00194 55 4XX 0.01073 0.00272 -0.00250 -0.00256 0.00005 56 4YY -0.00444 -0.00235 0.00262 0.00054 -0.00005 57 4ZZ -0.00417 -0.00325 0.00130 0.00204 -0.00043 58 4XY -0.00572 -0.00215 -0.00378 0.00081 0.00036 59 4XZ -0.00287 -0.00266 0.00118 -0.00458 -0.00005 60 4YZ 0.00032 0.00125 0.00059 0.00250 -0.00022 61 5 C 1S 0.00400 0.00711 -0.00245 0.00411 -0.00050 62 2S -0.00630 -0.01497 0.00560 -0.00703 0.00026 63 2PX 0.03164 0.03390 -0.00950 -0.00797 -0.00114 64 2PY -0.01435 -0.02286 0.00104 -0.00653 0.00071 65 2PZ 0.01525 0.01724 -0.01901 0.00928 -0.00134 66 3S 0.00637 -0.01544 0.01004 -0.02594 0.00021 67 3PX 0.00190 0.00750 -0.00441 -0.00651 -0.00025 68 3PY -0.00559 -0.01067 -0.00242 -0.01519 0.00036 69 3PZ 0.00842 0.00951 -0.01729 0.01288 0.00003 70 4XX 0.00217 0.00334 -0.00035 0.00023 0.00013 71 4YY -0.00034 0.00011 -0.00034 -0.00022 0.00012 72 4ZZ -0.00167 -0.00225 0.00047 0.00053 -0.00016 73 4XY -0.00198 -0.00251 0.00133 0.00046 -0.00025 74 4XZ -0.00052 -0.00021 0.00030 -0.00008 0.00014 75 4YZ 0.00151 0.00104 -0.00064 -0.00050 -0.00023 76 6 C 1S 0.00197 0.00050 -0.00332 0.00064 -0.00018 77 2S -0.01030 -0.00247 0.00899 -0.00046 0.00052 78 2PX 0.00870 -0.00707 -0.01217 0.00471 -0.00146 79 2PY -0.02248 -0.00614 0.01196 0.00920 0.00018 80 2PZ 0.00835 0.00849 -0.01102 0.00386 0.00042 81 3S -0.03084 -0.00261 0.02292 -0.01163 0.00193 82 3PX 0.00639 -0.00665 -0.00652 0.00392 -0.00143 83 3PY -0.01347 -0.00438 -0.00257 0.00017 0.00017 84 3PZ 0.00359 0.00619 0.00197 0.00479 -0.00003 85 4XX 0.00106 0.00115 0.00011 -0.00017 -0.00005 86 4YY -0.00004 -0.00084 -0.00031 0.00001 -0.00006 87 4ZZ -0.00008 -0.00045 0.00005 0.00022 -0.00000 88 4XY 0.00060 -0.00096 -0.00067 0.00063 0.00011 89 4XZ -0.00000 0.00026 0.00030 0.00000 -0.00017 90 4YZ -0.00006 0.00053 -0.00023 0.00016 0.00002 91 7 C 1S -0.00071 -0.00016 0.00072 0.00203 0.00014 92 2S 0.00117 0.00089 0.00049 -0.00485 -0.00043 93 2PX 0.00348 -0.00199 0.00041 0.00433 0.00047 94 2PY 0.01168 -0.00006 -0.00716 -0.00476 -0.00054 95 2PZ -0.00832 -0.00168 0.00695 -0.00256 0.00002 96 3S -0.00065 0.00494 -0.00435 -0.00815 -0.00091 97 3PX -0.00126 0.00477 0.00670 0.00135 -0.00001 98 3PY 0.00609 -0.00176 -0.00954 -0.00297 -0.00007 99 3PZ -0.00507 -0.00096 0.00704 -0.00189 -0.00016 100 4XX -0.00026 -0.00016 0.00035 -0.00004 0.00004 101 4YY -0.00003 0.00007 -0.00014 0.00008 -0.00004 102 4ZZ -0.00020 -0.00001 0.00008 0.00025 -0.00001 103 4XY -0.00063 -0.00003 0.00039 0.00013 -0.00006 104 4XZ 0.00049 0.00003 -0.00032 0.00001 0.00001 105 4YZ 0.00026 0.00019 -0.00015 0.00063 0.00001 106 8 C 1S -0.00008 0.00079 -0.00018 -0.00024 -0.00007 107 2S -0.00078 -0.00080 0.00090 0.00000 0.00012 108 2PX 0.00020 0.00338 -0.00120 -0.00134 -0.00040 109 2PY -0.00124 0.00092 0.00202 -0.00071 0.00004 110 2PZ 0.00263 0.00106 -0.00288 0.00126 -0.00007 111 3S 0.00208 -0.00667 -0.00426 0.00117 0.00066 112 3PX -0.00204 0.00344 0.00330 -0.00109 -0.00055 113 3PY -0.00084 0.00009 0.00297 0.00081 -0.00009 114 3PZ 0.00111 0.00079 -0.00139 0.00074 -0.00016 115 4XX 0.00052 0.00039 0.00005 -0.00017 0.00002 116 4YY -0.00047 -0.00031 0.00007 -0.00007 -0.00002 117 4ZZ -0.00012 -0.00011 -0.00014 0.00018 -0.00001 118 4XY -0.00020 0.00017 0.00015 0.00005 0.00002 119 4XZ 0.00026 0.00001 -0.00020 0.00012 0.00000 120 4YZ 0.00038 0.00023 -0.00004 0.00001 0.00000 121 9 C 1S 0.00401 0.00332 -0.00063 -0.00016 0.00002 122 2S -0.00669 -0.00520 0.00146 -0.00034 0.00004 123 2PX 0.01948 0.01219 -0.00402 -0.00048 0.00005 124 2PY -0.01369 -0.01408 0.00085 0.00156 -0.00007 125 2PZ 0.01443 0.01312 -0.00237 -0.00406 0.00015 126 3S -0.01394 -0.01643 0.00653 0.00134 -0.00077 127 3PX 0.00894 0.00577 -0.00369 0.00033 0.00022 128 3PY -0.00775 -0.00952 0.00239 -0.00003 -0.00025 129 3PZ 0.01000 0.01129 -0.00550 -0.00344 0.00055 130 4XX 0.00075 0.00078 -0.00017 -0.00008 0.00001 131 4YY -0.00018 0.00003 0.00004 0.00002 -0.00001 132 4ZZ -0.00007 -0.00044 -0.00006 0.00006 -0.00000 133 4XY -0.00036 -0.00041 0.00014 -0.00007 0.00000 134 4XZ -0.00028 -0.00023 -0.00003 -0.00014 0.00001 135 4YZ 0.00089 0.00055 -0.00014 -0.00019 0.00002 136 10 C 1S -0.00394 -0.00575 0.00162 0.00188 -0.00015 137 2S 0.01132 0.01233 -0.00388 -0.00244 0.00024 138 2PX -0.02888 -0.03032 0.00474 0.01111 -0.00046 139 2PY 0.01989 0.01945 -0.00184 -0.00239 -0.00016 140 2PZ -0.01678 -0.00499 0.00200 0.00004 -0.00010 141 3S 0.02585 0.03334 -0.01413 -0.00077 0.00124 142 3PX -0.01502 -0.01765 0.00497 0.00339 -0.00043 143 3PY 0.00912 0.00831 0.00255 0.00468 -0.00073 144 3PZ -0.00476 0.00522 -0.00188 -0.00072 0.00052 145 4XX -0.00039 -0.00013 0.00032 -0.00020 0.00000 146 4YY -0.00018 -0.00055 0.00006 0.00013 0.00000 147 4ZZ -0.00008 -0.00017 -0.00022 0.00022 0.00001 148 4XY 0.00042 0.00062 -0.00029 0.00033 0.00002 149 4XZ -0.00142 -0.00166 0.00055 0.00012 -0.00001 150 4YZ 0.00123 0.00109 -0.00029 -0.00019 0.00002 151 11 C 1S -0.00400 -0.00200 0.00088 0.00007 0.00002 152 2S 0.00688 0.00343 -0.00162 0.00017 -0.00009 153 2PX -0.02670 -0.01263 0.00615 -0.00158 0.00013 154 2PY 0.01378 0.00503 -0.00273 -0.00419 0.00001 155 2PZ -0.01817 -0.00959 0.00429 0.00349 -0.00002 156 3S 0.00835 0.00947 -0.00290 -0.00290 0.00041 157 3PX -0.01145 -0.00427 0.00401 0.00016 -0.00015 158 3PY 0.00871 0.00386 -0.00156 -0.00244 0.00004 159 3PZ -0.01088 -0.00918 0.00160 0.00211 -0.00004 160 4XX 0.00034 0.00055 -0.00003 -0.00024 0.00002 161 4YY -0.00016 -0.00047 -0.00003 0.00013 -0.00000 162 4ZZ -0.00005 -0.00012 0.00006 -0.00000 -0.00001 163 4XY -0.00001 0.00016 -0.00003 0.00009 0.00001 164 4XZ 0.00087 0.00003 -0.00020 -0.00001 -0.00001 165 4YZ -0.00123 -0.00051 0.00032 0.00004 0.00001 166 12 H 1S 0.02009 0.00755 -0.00492 -0.00184 -0.00009 167 2S 0.01035 -0.00213 -0.00371 0.00061 -0.00029 168 13 H 1S -0.00579 -0.00399 0.00176 0.00035 -0.00003 169 2S -0.00677 -0.00442 0.00216 0.00042 -0.00003 170 14 C 1S 0.00254 0.00071 -0.00054 0.00042 -0.00003 171 2S -0.00234 -0.00012 0.00045 -0.00049 0.00005 172 2PX 0.01425 0.00474 -0.00294 0.00096 -0.00006 173 2PY -0.00819 -0.00266 0.00219 -0.00050 0.00002 174 2PZ 0.00298 0.00215 -0.00041 -0.00107 0.00007 175 3S -0.00487 -0.00361 -0.00017 -0.00043 0.00018 176 3PX 0.00606 0.00224 -0.00100 0.00048 -0.00003 177 3PY -0.00308 -0.00081 0.00078 -0.00078 0.00002 178 3PZ 0.00140 0.00014 -0.00065 -0.00056 0.00006 179 4XX 0.00013 0.00004 -0.00003 0.00006 -0.00000 180 4YY 0.00035 0.00017 -0.00006 -0.00009 -0.00000 181 4ZZ -0.00023 -0.00012 0.00006 0.00005 -0.00000 182 4XY -0.00030 -0.00021 0.00007 0.00018 -0.00001 183 4XZ 0.00074 0.00039 -0.00017 -0.00009 0.00000 184 4YZ -0.00077 -0.00036 0.00016 -0.00000 0.00000 185 15 H 1S 0.00041 -0.00013 0.00006 0.00061 -0.00003 186 2S 0.00065 -0.00048 -0.00009 0.00113 -0.00007 187 16 H 1S -0.00294 -0.00174 0.00031 0.00042 -0.00001 188 2S -0.00272 -0.00210 0.00021 0.00041 -0.00004 189 17 C 1S -0.00229 -0.00134 0.00046 0.00038 -0.00001 190 2S 0.00355 0.00226 -0.00060 -0.00055 -0.00001 191 2PX -0.00663 -0.00348 0.00186 0.00044 0.00005 192 2PY 0.00805 0.00350 -0.00193 0.00002 0.00005 193 2PZ -0.00909 -0.00386 0.00193 0.00035 -0.00006 194 3S 0.00646 0.00514 -0.00090 -0.00182 0.00001 195 3PX -0.00327 -0.00212 0.00084 0.00078 0.00000 196 3PY 0.00506 0.00261 -0.00102 0.00035 -0.00001 197 3PZ -0.00586 -0.00274 0.00092 0.00051 0.00000 198 4XX -0.00019 -0.00004 0.00007 0.00002 -0.00000 199 4YY -0.00030 -0.00019 0.00006 -0.00001 -0.00000 200 4ZZ 0.00017 0.00003 -0.00005 0.00003 0.00000 201 4XY 0.00026 0.00012 -0.00009 0.00002 -0.00000 202 4XZ -0.00004 -0.00002 -0.00000 -0.00001 -0.00000 203 4YZ -0.00038 -0.00014 0.00009 0.00002 -0.00000 204 18 C 1S -0.00171 -0.00161 0.00037 0.00015 -0.00003 205 2S 0.00429 0.00327 -0.00097 -0.00002 0.00002 206 2PX -0.01191 -0.00876 0.00224 -0.00053 -0.00007 207 2PY 0.00624 0.00475 -0.00101 -0.00007 -0.00005 208 2PZ 0.00291 0.00183 0.00003 -0.00057 0.00012 209 3S 0.00927 0.00934 -0.00237 -0.00042 0.00018 210 3PX -0.00766 -0.00645 0.00222 0.00043 -0.00015 211 3PY 0.00444 0.00384 -0.00092 0.00019 -0.00001 212 3PZ 0.00210 0.00175 0.00029 -0.00091 0.00005 213 4XX -0.00038 -0.00017 0.00014 -0.00001 0.00000 214 4YY -0.00022 -0.00027 0.00001 0.00002 -0.00000 215 4ZZ 0.00018 0.00013 -0.00004 -0.00006 0.00001 216 4XY 0.00018 0.00033 -0.00002 -0.00004 -0.00000 217 4XZ -0.00073 -0.00068 0.00009 0.00012 -0.00000 218 4YZ 0.00028 0.00031 -0.00010 -0.00003 0.00000 219 19 H 1S 0.00002 0.00026 -0.00059 0.00024 -0.00001 220 2S -0.00017 0.00004 -0.00048 -0.00018 -0.00002 221 20 H 1S -0.00356 -0.00355 0.00079 -0.00012 0.00004 222 2S -0.00515 -0.00628 0.00101 0.00037 -0.00004 223 21 H 1S -0.00202 -0.00076 0.00043 0.00009 -0.00001 224 2S -0.00262 -0.00147 0.00043 0.00003 -0.00002 225 22 H 1S -0.00242 -0.00088 0.00091 -0.00009 0.00003 226 2S -0.00319 -0.00112 0.00089 0.00004 0.00005 227 23 H 1S 0.00905 0.00417 -0.00280 -0.00044 0.00019 228 2S 0.00345 -0.00007 -0.00088 0.00244 -0.00008 229 24 H 1S 0.00305 0.00059 -0.00044 -0.00157 0.00007 230 2S 0.00372 0.00064 0.00030 -0.00115 0.00005 231 25 H 1S -0.00042 -0.00132 -0.00039 -0.00040 -0.00009 232 2S -0.00093 -0.00172 0.00041 -0.00023 -0.00029 233 26 H 1S 0.00088 -0.00026 -0.00194 0.00129 -0.00003 234 2S 0.00003 -0.00094 -0.00126 0.00158 -0.00007 235 27 H 1S -0.00773 -0.00020 0.00423 -0.00215 -0.00022 236 2S -0.00520 -0.00161 0.00039 0.00040 0.00001 237 28 Br 1S 0.00713 0.00120 -0.00418 0.00086 -0.00042 238 2S -0.03323 -0.00580 0.01943 -0.00418 0.00198 239 3S 0.02066 0.00397 -0.01200 0.00294 -0.00128 240 4S 0.03047 0.00609 -0.01780 0.00432 -0.00190 241 5S 0.00628 -0.00004 -0.00653 -0.00210 0.00037 242 6S 0.00036 -0.00086 0.00492 0.00516 -0.00097 243 7PX -0.00185 -0.00011 0.00036 0.00019 0.00006 244 7PY 0.00709 0.00002 -0.00379 0.00005 -0.00026 245 7PZ 0.00262 -0.00136 -0.00225 0.00159 -0.00014 246 8PX 0.00003 -0.00154 -0.00041 -0.00264 0.00010 247 8PY 0.00049 0.00187 0.00211 0.00054 -0.00028 248 8PZ -0.00355 -0.00084 0.00401 -0.00397 0.00002 249 9PX 0.00183 0.00372 0.00062 0.00582 -0.00029 250 9PY -0.00882 -0.00422 -0.00072 -0.00147 0.00087 251 9PZ 0.00470 0.00335 -0.00634 0.00721 0.00005 252 10PX 0.00168 0.00215 0.00035 0.00411 -0.00013 253 10PY -0.00792 -0.00284 0.00060 0.00062 0.00048 254 10PZ 0.00294 0.00233 -0.00375 0.00637 0.00006 255 11XX -0.01374 -0.00270 0.00801 -0.00179 0.00080 256 11YY -0.01254 -0.00151 0.00685 -0.00184 0.00081 257 11ZZ -0.01352 -0.00296 0.00825 -0.00167 0.00083 258 11XY -0.00099 0.00002 0.00092 0.00002 0.00001 259 11XZ 0.00016 0.00033 -0.00029 -0.00039 0.00000 260 11YZ -0.00158 -0.00039 0.00065 0.00067 -0.00002 261 12XX -0.00261 -0.00037 0.00049 -0.00095 0.00045 262 12YY -0.00420 -0.00116 0.00192 -0.00162 0.00034 263 12ZZ -0.00289 -0.00025 0.00026 -0.00147 0.00041 264 12XY 0.00064 -0.00018 -0.00087 -0.00027 0.00007 265 12XZ -0.00020 0.00033 0.00018 0.00028 -0.00003 266 12YZ 0.00059 -0.00014 -0.00009 -0.00128 0.00005 267 29 C 1S 0.00125 -0.00026 0.00337 0.00254 0.00006 268 2S -0.00304 -0.00099 -0.00688 -0.00512 -0.00040 269 2PX -0.00066 -0.00294 0.02306 0.00900 -0.00010 270 2PY -0.01010 0.00599 -0.00584 -0.00771 0.00069 271 2PZ 0.00098 0.00344 0.00947 0.00145 0.00117 272 3S -0.00963 -0.00480 -0.00341 -0.00895 -0.00110 273 3PX 0.00352 0.00200 0.01175 0.00799 -0.00012 274 3PY -0.00457 0.00300 -0.00433 -0.00611 0.00069 275 3PZ -0.00101 -0.00006 -0.00043 -0.00751 0.00111 276 4XX -0.00016 0.00062 -0.00071 -0.00013 0.00002 277 4YY 0.00019 0.00038 -0.00004 0.00026 -0.00001 278 4ZZ 0.00010 -0.00095 0.00074 -0.00014 0.00005 279 4XY -0.00091 -0.00087 0.00078 0.00041 -0.00003 280 4XZ -0.00010 -0.00077 0.00086 0.00082 0.00002 281 4YZ 0.00018 0.00020 -0.00101 -0.00041 -0.00006 282 30 H 1S -0.00050 0.00700 -0.01431 -0.00528 0.00002 283 2S 0.00724 0.01239 -0.00720 0.00540 -0.00033 284 31 H 1S 0.00179 -0.00316 0.01052 0.00327 0.00032 285 2S 0.00182 -0.00408 0.01212 0.00530 0.00047 286 32 H 1S -0.00740 -0.00023 0.00375 -0.00038 -0.00005 287 2S -0.00661 -0.00150 0.00350 0.00259 0.00009 288 33 H 1S -0.03585 -0.01892 0.00835 0.01433 -0.00152 289 2S -0.02651 -0.01927 0.01615 0.02410 -0.00412 290 34 H 1S -0.03657 -0.01376 -0.00273 0.00109 0.00538 291 2S -0.02675 -0.01995 -0.00824 0.00258 0.00222 292 35 H 1S 0.10612 -0.00039 0.07568 0.09845 -0.00915 293 2S 0.02434 -0.00048 0.06231 0.08279 -0.00697 294 36 H 1S 0.09687 -0.04818 0.05249 -0.10520 -0.00512 295 2S 0.02180 -0.03915 0.04145 -0.08380 -0.00331 296 37 H 1S -0.03400 0.01045 0.02181 0.00557 -0.00109 297 2S -0.02554 0.00988 0.03068 0.01608 -0.00211 298 38 H 1S -0.03216 0.01218 0.00494 -0.00660 0.00788 299 2S -0.02214 0.02169 0.00556 -0.00922 0.00672 300 39 H 1S -0.00926 0.00169 0.00085 -0.00838 -0.00016 301 2S -0.00956 0.00166 0.00591 -0.00200 -0.00050 302 40 H 1S 0.03134 -0.01351 -0.02041 0.00820 0.00068 303 2S 0.02958 -0.01385 -0.02631 0.01679 0.00072 41 42 43 44 45 41 4YY 0.00069 42 4ZZ 0.00019 0.00099 43 4XY 0.00030 -0.00032 0.00088 44 4XZ -0.00002 0.00035 -0.00025 0.00071 45 4YZ 0.00028 0.00003 -0.00004 -0.00036 0.00167 46 4 C 1S 0.00170 0.00194 0.00227 0.00207 -0.00049 47 2S -0.00416 -0.00456 -0.00438 -0.00357 0.00086 48 2PX 0.00664 0.00609 0.00777 0.00354 -0.00185 49 2PY -0.00434 -0.00323 0.00813 -0.00142 -0.00304 50 2PZ -0.00173 -0.00479 -0.00178 0.00857 -0.00379 51 3S -0.00380 -0.00558 -0.00364 -0.00458 0.00117 52 3PX 0.00337 0.00264 0.00386 0.00136 -0.00030 53 3PY -0.00231 -0.00138 0.00379 -0.00038 -0.00186 54 3PZ -0.00052 -0.00246 -0.00065 0.00377 -0.00112 55 4XX -0.00022 -0.00022 0.00009 0.00017 -0.00038 56 4YY 0.00011 0.00022 0.00030 0.00000 0.00006 57 4ZZ 0.00029 0.00033 -0.00021 -0.00009 0.00033 58 4XY 0.00009 -0.00034 0.00072 -0.00032 -0.00028 59 4XZ -0.00003 0.00023 -0.00020 0.00045 -0.00053 60 4YZ 0.00008 0.00017 -0.00018 -0.00055 0.00065 61 5 C 1S -0.00027 -0.00025 0.00078 -0.00126 0.00052 62 2S 0.00047 0.00045 -0.00135 0.00280 -0.00119 63 2PX -0.00031 0.00038 0.00277 -0.00401 0.00155 64 2PY 0.00034 0.00037 -0.00313 0.00431 -0.00233 65 2PZ -0.00064 0.00048 0.00301 -0.00468 0.00169 66 3S -0.00073 0.00143 -0.00267 0.00389 -0.00299 67 3PX 0.00042 -0.00003 0.00195 -0.00163 0.00006 68 3PY -0.00020 0.00007 -0.00073 0.00270 -0.00319 69 3PZ -0.00015 -0.00091 0.00157 -0.00289 0.00099 70 4XX -0.00012 -0.00018 -0.00009 -0.00010 0.00011 71 4YY -0.00004 -0.00005 0.00023 0.00001 -0.00010 72 4ZZ 0.00012 0.00019 -0.00008 -0.00012 0.00013 73 4XY 0.00012 0.00019 0.00015 -0.00006 0.00002 74 4XZ -0.00001 -0.00010 -0.00036 0.00009 0.00001 75 4YZ 0.00000 0.00011 -0.00004 -0.00007 0.00004 76 6 C 1S 0.00008 -0.00009 -0.00010 0.00004 0.00009 77 2S -0.00026 0.00035 0.00038 -0.00013 -0.00006 78 2PX 0.00131 -0.00003 0.00145 -0.00051 -0.00015 79 2PY -0.00025 0.00032 0.00137 -0.00062 0.00066 80 2PZ -0.00009 -0.00039 0.00016 -0.00071 0.00191 81 3S -0.00145 0.00105 0.00124 -0.00053 -0.00119 82 3PX 0.00118 -0.00008 0.00236 -0.00021 0.00013 83 3PY 0.00052 -0.00054 0.00074 0.00026 -0.00060 84 3PZ -0.00003 0.00044 -0.00045 -0.00057 0.00193 85 4XX -0.00001 0.00002 0.00010 -0.00017 0.00001 86 4YY 0.00006 0.00006 -0.00014 0.00015 -0.00010 87 4ZZ 0.00002 -0.00003 -0.00004 0.00008 0.00011 88 4XY -0.00009 -0.00008 0.00013 -0.00007 0.00017 89 4XZ 0.00011 0.00008 -0.00008 -0.00006 -0.00014 90 4YZ -0.00008 0.00005 0.00016 -0.00016 0.00012 91 7 C 1S -0.00021 -0.00018 0.00026 -0.00018 0.00026 92 2S 0.00038 0.00040 -0.00063 0.00045 -0.00059 93 2PX -0.00047 -0.00032 0.00058 -0.00033 0.00053 94 2PY 0.00068 0.00001 -0.00100 0.00074 -0.00085 95 2PZ -0.00019 0.00016 0.00004 -0.00001 -0.00028 96 3S 0.00113 0.00001 -0.00188 0.00129 -0.00197 97 3PX -0.00017 0.00035 -0.00010 -0.00036 0.00066 98 3PY 0.00040 -0.00058 -0.00077 0.00071 -0.00108 99 3PZ -0.00000 0.00029 0.00003 0.00012 -0.00005 100 4XX -0.00005 -0.00000 -0.00002 0.00001 0.00004 101 4YY 0.00004 0.00001 0.00003 -0.00003 0.00001 102 4ZZ 0.00001 0.00001 0.00002 0.00000 0.00003 103 4XY 0.00003 0.00004 0.00004 -0.00004 -0.00001 104 4XZ -0.00001 -0.00000 -0.00003 -0.00000 -0.00001 105 4YZ 0.00001 -0.00002 -0.00000 -0.00002 0.00011 106 8 C 1S 0.00009 0.00002 0.00002 -0.00001 -0.00001 107 2S -0.00014 -0.00000 -0.00008 0.00004 0.00005 108 2PX 0.00036 0.00013 -0.00005 -0.00004 -0.00017 109 2PY -0.00003 0.00005 -0.00012 0.00015 0.00000 110 2PZ 0.00009 -0.00009 0.00007 -0.00010 0.00006 111 3S -0.00057 -0.00040 0.00046 -0.00003 -0.00004 112 3PX 0.00040 0.00038 -0.00021 0.00003 -0.00002 113 3PY -0.00000 0.00019 -0.00008 0.00003 0.00017 114 3PZ 0.00008 0.00008 -0.00013 -0.00015 -0.00000 115 4XX -0.00002 -0.00000 0.00002 -0.00003 -0.00000 116 4YY 0.00002 0.00001 -0.00002 0.00003 -0.00002 117 4ZZ 0.00002 -0.00000 -0.00001 0.00001 0.00001 118 4XY -0.00002 -0.00000 0.00002 -0.00001 0.00002 119 4XZ -0.00000 -0.00001 0.00001 -0.00000 0.00002 120 4YZ -0.00001 -0.00001 0.00001 -0.00001 0.00001 121 9 C 1S -0.00011 -0.00008 0.00015 -0.00023 0.00006 122 2S 0.00009 0.00010 -0.00029 0.00044 -0.00017 123 2PX -0.00023 -0.00028 0.00054 -0.00080 0.00027 124 2PY 0.00020 0.00021 -0.00045 0.00083 -0.00032 125 2PZ -0.00043 -0.00010 0.00054 -0.00057 0.00002 126 3S 0.00066 0.00086 -0.00070 0.00084 -0.00003 127 3PX -0.00021 -0.00032 0.00047 -0.00027 0.00010 128 3PY 0.00025 0.00033 -0.00021 0.00049 -0.00025 129 3PZ -0.00051 -0.00051 0.00059 -0.00053 -0.00015 130 4XX -0.00002 -0.00002 0.00004 -0.00006 0.00004 131 4YY 0.00000 -0.00000 0.00000 -0.00001 0.00001 132 4ZZ 0.00001 0.00001 -0.00001 0.00005 -0.00003 133 4XY -0.00000 0.00001 -0.00002 0.00005 -0.00004 134 4XZ -0.00000 0.00001 -0.00001 0.00002 -0.00002 135 4YZ -0.00002 -0.00001 0.00003 -0.00002 0.00000 136 10 C 1S 0.00015 0.00006 -0.00019 0.00027 -0.00003 137 2S -0.00041 -0.00038 0.00033 -0.00051 0.00007 138 2PX 0.00065 0.00039 -0.00118 0.00148 -0.00050 139 2PY -0.00037 -0.00026 0.00032 -0.00108 0.00067 140 2PZ 0.00020 0.00012 -0.00009 -0.00038 0.00058 141 3S -0.00151 -0.00167 0.00010 -0.00080 0.00017 142 3PX 0.00058 0.00046 -0.00062 0.00085 -0.00013 143 3PY 0.00004 0.00029 -0.00049 -0.00084 0.00128 144 3PZ -0.00037 -0.00037 -0.00023 -0.00031 0.00029 145 4XX 0.00002 -0.00000 0.00004 0.00001 -0.00000 146 4YY 0.00002 0.00001 -0.00005 0.00008 -0.00003 147 4ZZ 0.00000 0.00001 0.00001 -0.00004 0.00001 148 4XY -0.00004 -0.00004 0.00005 -0.00008 0.00003 149 4XZ 0.00005 0.00004 -0.00007 0.00014 -0.00006 150 4YZ -0.00004 -0.00001 0.00005 -0.00007 0.00000 151 11 C 1S 0.00007 0.00006 0.00013 0.00003 -0.00004 152 2S -0.00012 -0.00014 -0.00029 -0.00005 0.00011 153 2PX 0.00028 0.00041 0.00069 -0.00002 -0.00014 154 2PY -0.00005 0.00007 -0.00057 0.00034 -0.00013 155 2PZ 0.00012 0.00023 0.00052 -0.00002 -0.00014 156 3S -0.00054 -0.00044 -0.00038 0.00004 -0.00018 157 3PX 0.00016 0.00033 -0.00002 -0.00005 0.00021 158 3PY -0.00011 -0.00002 -0.00049 0.00036 -0.00011 159 3PZ 0.00023 0.00015 0.00066 0.00001 -0.00028 160 4XX -0.00001 -0.00001 0.00006 -0.00004 0.00000 161 4YY 0.00001 0.00000 -0.00003 0.00004 -0.00002 162 4ZZ 0.00001 0.00001 -0.00004 0.00001 0.00001 163 4XY -0.00002 -0.00001 0.00001 -0.00001 -0.00001 164 4XZ 0.00000 0.00000 -0.00003 0.00003 -0.00001 165 4YZ 0.00001 0.00002 0.00006 -0.00002 -0.00001 166 12 H 1S -0.00008 -0.00018 -0.00059 0.00017 0.00004 167 2S 0.00029 0.00004 -0.00010 0.00009 -0.00002 168 13 H 1S 0.00006 0.00017 0.00007 0.00009 -0.00008 169 2S 0.00011 0.00020 0.00010 0.00006 -0.00008 170 14 C 1S -0.00004 -0.00006 -0.00009 0.00003 -0.00000 171 2S 0.00002 0.00000 0.00013 -0.00009 0.00004 172 2PX -0.00010 -0.00011 -0.00048 0.00023 -0.00006 173 2PY 0.00005 0.00009 0.00030 -0.00014 0.00002 174 2PZ -0.00004 -0.00005 0.00008 -0.00008 0.00002 175 3S 0.00007 -0.00008 0.00059 -0.00004 -0.00022 176 3PX -0.00006 -0.00003 -0.00030 0.00012 0.00001 177 3PY 0.00004 0.00004 0.00026 -0.00015 0.00001 178 3PZ -0.00001 -0.00003 0.00021 -0.00003 -0.00010 179 4XX -0.00000 -0.00001 -0.00000 -0.00001 0.00001 180 4YY -0.00000 0.00000 -0.00001 0.00000 -0.00000 181 4ZZ 0.00000 0.00001 0.00000 0.00000 -0.00000 182 4XY 0.00001 0.00000 0.00000 0.00001 -0.00000 183 4XZ -0.00001 -0.00001 -0.00002 0.00000 0.00000 184 4YZ 0.00001 0.00001 0.00002 -0.00000 -0.00000 185 15 H 1S 0.00001 0.00001 -0.00001 0.00001 -0.00001 186 2S 0.00001 -0.00000 -0.00005 0.00005 -0.00003 187 16 H 1S 0.00003 0.00004 0.00001 0.00004 -0.00003 188 2S 0.00005 0.00008 0.00007 0.00005 -0.00007 189 17 C 1S 0.00003 0.00003 0.00005 0.00002 -0.00001 190 2S -0.00004 -0.00002 -0.00007 -0.00001 0.00001 191 2PX 0.00006 0.00005 0.00016 -0.00002 0.00003 192 2PY -0.00006 -0.00010 -0.00021 0.00008 0.00002 193 2PZ 0.00009 0.00014 0.00014 0.00002 -0.00004 194 3S -0.00009 -0.00007 -0.00028 -0.00005 0.00008 195 3PX 0.00005 0.00002 0.00011 -0.00003 0.00003 196 3PY -0.00004 -0.00007 -0.00025 0.00007 0.00010 197 3PZ 0.00005 0.00003 0.00010 0.00007 -0.00006 198 4XX 0.00000 0.00000 0.00003 -0.00002 0.00001 199 4YY 0.00000 0.00001 -0.00000 0.00001 -0.00001 200 4ZZ -0.00000 -0.00000 -0.00001 0.00001 -0.00000 201 4XY -0.00000 -0.00000 -0.00001 0.00000 -0.00000 202 4XZ 0.00000 0.00000 -0.00001 0.00001 -0.00000 203 4YZ 0.00000 0.00001 0.00001 -0.00000 0.00000 204 18 C 1S 0.00001 0.00002 -0.00005 0.00012 -0.00008 205 2S -0.00005 -0.00009 0.00009 -0.00023 0.00016 206 2PX 0.00012 0.00024 -0.00029 0.00061 -0.00035 207 2PY -0.00004 -0.00008 0.00016 -0.00035 0.00015 208 2PZ -0.00002 -0.00007 -0.00002 -0.00011 0.00010 209 3S -0.00026 -0.00028 0.00017 -0.00076 0.00031 210 3PX 0.00016 0.00024 -0.00024 0.00048 -0.00013 211 3PY -0.00004 -0.00008 0.00007 -0.00024 0.00011 212 3PZ -0.00002 0.00001 0.00002 -0.00018 0.00006 213 4XX 0.00001 0.00000 0.00000 0.00001 -0.00000 214 4YY 0.00001 0.00000 -0.00001 0.00003 -0.00001 215 4ZZ -0.00001 -0.00000 0.00001 0.00000 -0.00000 216 4XY -0.00001 -0.00000 0.00001 -0.00002 0.00001 217 4XZ 0.00001 0.00001 -0.00002 0.00004 -0.00001 218 4YZ -0.00001 -0.00001 0.00002 -0.00002 0.00001 219 19 H 1S -0.00004 -0.00001 0.00006 -0.00002 -0.00000 220 2S -0.00004 0.00002 0.00007 0.00006 -0.00009 221 20 H 1S 0.00006 0.00005 -0.00020 0.00027 -0.00009 222 2S 0.00015 0.00010 -0.00032 0.00050 -0.00018 223 21 H 1S 0.00002 0.00004 -0.00001 0.00005 -0.00001 224 2S 0.00002 0.00007 0.00005 0.00004 -0.00005 225 22 H 1S 0.00001 0.00001 0.00014 -0.00010 0.00005 226 2S 0.00002 -0.00001 0.00022 -0.00013 0.00005 227 23 H 1S -0.00021 -0.00010 0.00020 -0.00001 -0.00028 228 2S -0.00005 0.00022 -0.00005 -0.00029 0.00011 229 24 H 1S -0.00013 0.00004 0.00006 0.00015 -0.00018 230 2S -0.00011 0.00003 0.00002 0.00020 -0.00021 231 25 H 1S 0.00006 0.00005 -0.00007 0.00004 -0.00013 232 2S 0.00024 0.00016 -0.00024 0.00018 -0.00019 233 26 H 1S 0.00008 -0.00007 -0.00001 -0.00000 0.00008 234 2S 0.00020 -0.00008 -0.00001 0.00015 0.00013 235 27 H 1S 0.00008 0.00026 0.00014 -0.00005 -0.00027 236 2S -0.00001 -0.00010 0.00062 -0.00034 -0.00008 237 28 Br 1S 0.00005 -0.00047 -0.00023 -0.00004 -0.00010 238 2S -0.00032 0.00218 0.00109 0.00018 0.00046 239 3S 0.00033 -0.00129 -0.00073 -0.00008 -0.00023 240 4S 0.00052 -0.00189 -0.00111 -0.00009 -0.00037 241 5S -0.00070 -0.00058 0.00015 -0.00018 -0.00094 242 6S 0.00066 -0.00001 -0.00009 -0.00011 0.00175 243 7PX 0.00019 0.00006 0.00002 0.00016 0.00018 244 7PY -0.00020 -0.00064 0.00006 -0.00017 -0.00004 245 7PZ 0.00004 -0.00002 0.00005 -0.00012 0.00013 246 8PX -0.00031 0.00016 0.00005 -0.00023 -0.00033 247 8PY 0.00048 0.00033 -0.00054 0.00036 -0.00033 248 8PZ -0.00011 0.00005 -0.00015 0.00031 -0.00055 249 9PX 0.00052 -0.00038 -0.00014 0.00034 0.00061 250 9PY -0.00094 -0.00013 0.00114 -0.00061 0.00068 251 9PZ 0.00022 -0.00008 0.00026 -0.00056 0.00110 252 10PX 0.00030 -0.00034 -0.00014 0.00031 0.00034 253 10PY -0.00055 -0.00004 0.00089 -0.00058 0.00115 254 10PZ 0.00014 -0.00009 0.00033 -0.00048 0.00109 255 11XX -0.00015 0.00094 0.00042 0.00006 0.00012 256 11YY -0.00020 0.00074 0.00046 0.00005 0.00016 257 11ZZ -0.00015 0.00088 0.00047 0.00009 0.00021 258 11XY 0.00003 0.00006 -0.00000 0.00003 0.00007 259 11XZ 0.00001 -0.00001 -0.00002 -0.00003 -0.00002 260 11YZ -0.00002 0.00002 0.00004 -0.00006 0.00010 261 12XX -0.00023 0.00009 0.00025 0.00002 -0.00024 262 12YY -0.00018 0.00025 0.00010 0.00001 -0.00024 263 12ZZ -0.00024 0.00022 0.00013 0.00001 -0.00032 264 12XY -0.00008 -0.00001 0.00002 -0.00003 -0.00014 265 12XZ 0.00005 0.00000 0.00000 0.00005 0.00008 266 12YZ -0.00006 0.00003 -0.00005 0.00013 -0.00021 267 29 C 1S 0.00004 -0.00031 0.00003 -0.00006 0.00028 268 2S -0.00012 0.00055 -0.00008 -0.00010 -0.00059 269 2PX 0.00099 -0.00066 -0.00062 -0.00086 0.00186 270 2PY -0.00041 -0.00028 0.00052 0.00049 -0.00039 271 2PZ -0.00022 -0.00124 0.00010 0.00065 -0.00047 272 3S -0.00005 0.00155 -0.00063 -0.00065 -0.00014 273 3PX 0.00047 -0.00045 -0.00067 -0.00056 0.00131 274 3PY -0.00029 -0.00046 0.00030 0.00051 -0.00080 275 3PZ -0.00043 -0.00094 0.00025 0.00073 -0.00165 276 4XX -0.00003 -0.00001 0.00002 0.00001 -0.00001 277 4YY 0.00001 -0.00001 0.00009 -0.00015 0.00008 278 4ZZ 0.00003 -0.00003 -0.00011 0.00020 -0.00011 279 4XY 0.00006 0.00001 -0.00002 -0.00001 0.00008 280 4XZ 0.00003 -0.00003 -0.00008 0.00010 0.00002 281 4YZ -0.00002 0.00008 0.00002 -0.00005 -0.00000 282 30 H 1S -0.00063 0.00039 0.00059 0.00025 -0.00068 283 2S -0.00028 0.00024 0.00049 -0.00044 0.00102 284 31 H 1S 0.00022 -0.00051 -0.00050 0.00048 -0.00014 285 2S 0.00033 -0.00063 -0.00061 0.00118 -0.00006 286 32 H 1S 0.00027 -0.00005 0.00010 -0.00043 0.00063 287 2S 0.00026 -0.00017 0.00051 -0.00043 0.00077 288 33 H 1S 0.00155 0.00261 -0.00321 -0.00571 0.00500 289 2S 0.00252 0.00350 -0.00184 -0.00418 0.00598 290 34 H 1S -0.00100 -0.00153 0.00645 -0.00193 -0.00207 291 2S 0.00027 -0.00110 0.00654 -0.00100 -0.00229 292 35 H 1S 0.00343 0.00574 -0.00123 -0.00048 0.01486 293 2S 0.00381 0.00456 -0.00067 -0.00120 0.01345 294 36 H 1S -0.00297 0.00851 -0.00509 0.00900 -0.01030 295 2S -0.00187 0.00657 -0.00409 0.00712 -0.00900 296 37 H 1S 0.00521 -0.00144 0.00273 0.00264 0.00629 297 2S 0.00380 0.00028 0.00054 0.00228 0.00781 298 38 H 1S -0.00406 -0.00097 0.00181 -0.00332 -0.00098 299 2S -0.00461 -0.00073 -0.00074 -0.00237 -0.00018 300 39 H 1S -0.00007 0.00081 -0.00031 0.00123 0.00042 301 2S 0.00049 0.00066 -0.00011 0.00143 0.00195 302 40 H 1S -0.00055 -0.00160 0.00089 -0.00045 0.00152 303 2S -0.00037 -0.00218 0.00177 -0.00106 0.00165 46 47 48 49 50 46 4 C 1S 2.05193 47 2S -0.05335 0.30343 48 2PX -0.00041 -0.00454 0.39501 49 2PY -0.00306 0.00805 0.01558 0.40415 50 2PZ 0.00568 -0.00592 -0.01113 0.01675 0.38532 51 3S -0.19518 0.29581 0.01284 -0.01170 -0.00532 52 3PX 0.00116 -0.00195 0.17526 0.01827 -0.00758 53 3PY 0.00192 0.00141 0.00923 0.18725 0.01415 54 3PZ -0.00290 0.00120 -0.00208 0.00502 0.17289 55 4XX -0.01551 -0.00493 -0.00983 0.00875 0.00659 56 4YY -0.01744 -0.00096 0.01050 0.00771 -0.00401 57 4ZZ -0.01660 -0.00301 0.00314 -0.01523 -0.00724 58 4XY -0.00161 0.00344 0.00966 0.01455 -0.00580 59 4XZ 0.00062 -0.00116 0.00520 -0.00584 0.00591 60 4YZ -0.00090 0.00208 -0.00610 -0.00695 -0.01834 61 5 C 1S 0.01045 -0.01976 -0.02568 0.03356 -0.04798 62 2S -0.01753 0.02946 0.05561 -0.06785 0.09962 63 2PX 0.02658 -0.05121 -0.04585 0.07813 -0.10827 64 2PY -0.03264 0.06490 0.07472 -0.08673 0.13718 65 2PZ 0.04299 -0.08411 -0.09710 0.12106 -0.16207 66 3S -0.00232 0.01491 0.04063 -0.08117 0.11535 67 3PX 0.00438 -0.01196 0.00271 0.04470 -0.05271 68 3PY -0.00180 0.00938 0.03058 -0.00697 0.06810 69 3PZ 0.00624 -0.02192 -0.04102 0.05081 -0.06337 70 4XX 0.00032 -0.00111 -0.00810 0.00101 0.00071 71 4YY -0.00013 -0.00037 0.00176 0.00912 0.00049 72 4ZZ -0.00214 0.00300 0.00379 -0.00545 -0.00790 73 4XY 0.00245 -0.00494 0.00234 0.00115 -0.00726 74 4XZ -0.00372 0.00701 -0.00060 -0.00885 0.00584 75 4YZ 0.00377 -0.00689 -0.00618 -0.00201 -0.00419 76 6 C 1S -0.00306 0.00497 0.00003 -0.01011 0.00780 77 2S 0.00521 -0.01228 0.00158 0.02249 -0.01870 78 2PX 0.00422 -0.00866 0.00360 0.01984 -0.01645 79 2PY 0.01041 -0.02493 -0.00686 0.03906 -0.04330 80 2PZ -0.00355 0.00984 -0.00934 -0.00465 -0.02000 81 3S 0.01350 -0.02100 0.00595 0.07251 -0.04544 82 3PX 0.00761 -0.01774 0.01912 0.04970 -0.02522 83 3PY 0.00336 -0.00086 0.00566 0.01405 -0.00693 84 3PZ -0.00485 0.00724 -0.00869 -0.01338 -0.02311 85 4XX 0.00082 -0.00196 -0.00158 0.00430 -0.00509 86 4YY -0.00109 0.00183 0.00196 -0.00399 0.00490 87 4ZZ -0.00098 0.00147 0.00091 -0.00342 0.00226 88 4XY 0.00045 -0.00110 -0.00050 0.00158 -0.00184 89 4XZ 0.00014 -0.00023 -0.00041 -0.00011 -0.00181 90 4YZ 0.00121 -0.00260 -0.00183 0.00585 -0.00642 91 7 C 1S 0.00118 -0.00334 -0.00147 0.00600 -0.00627 92 2S -0.00275 0.00622 0.00540 -0.01347 0.01383 93 2PX 0.00161 -0.00506 -0.00264 0.00954 -0.00811 94 2PY -0.00767 0.01723 0.01236 -0.02951 0.03108 95 2PZ 0.00092 -0.00351 0.00028 0.00348 0.00024 96 3S -0.00668 0.02040 0.00241 -0.04590 0.04318 97 3PX 0.00137 -0.00343 -0.00808 0.00799 -0.01516 98 3PY -0.00584 0.01479 0.00458 -0.02692 0.03463 99 3PZ 0.00127 -0.00316 0.00480 0.00360 0.00179 100 4XX -0.00004 -0.00006 -0.00000 -0.00054 0.00031 101 4YY 0.00015 -0.00021 0.00005 0.00064 -0.00138 102 4ZZ 0.00023 -0.00049 -0.00002 0.00088 -0.00076 103 4XY 0.00038 -0.00092 -0.00027 0.00151 -0.00179 104 4XZ -0.00012 0.00031 -0.00005 -0.00056 0.00022 105 4YZ -0.00024 0.00040 -0.00015 -0.00091 -0.00089 106 8 C 1S 0.00021 -0.00034 -0.00028 0.00119 -0.00084 107 2S -0.00037 0.00045 0.00007 -0.00244 0.00121 108 2PX 0.00081 -0.00053 -0.00029 0.00278 -0.00409 109 2PY -0.00052 -0.00019 0.00174 -0.00305 0.00152 110 2PZ 0.00064 -0.00038 -0.00174 0.00217 -0.00289 111 3S -0.00048 -0.00144 0.00570 -0.00043 0.00677 112 3PX 0.00084 -0.00057 0.00055 0.00106 -0.00610 113 3PY -0.00017 -0.00164 0.00206 -0.00239 -0.00252 114 3PZ 0.00014 0.00021 -0.00291 -0.00166 -0.00488 115 4XX 0.00020 -0.00042 -0.00042 0.00067 -0.00039 116 4YY -0.00020 0.00032 0.00047 -0.00048 0.00062 117 4ZZ -0.00010 0.00023 0.00019 -0.00022 0.00010 118 4XY 0.00022 -0.00044 -0.00035 0.00071 -0.00068 119 4XZ 0.00004 -0.00005 -0.00007 0.00005 -0.00008 120 4YZ 0.00012 -0.00017 -0.00028 0.00030 -0.00023 121 9 C 1S 0.00128 -0.00351 -0.00452 0.00537 -0.00343 122 2S -0.00347 0.00600 0.00861 -0.01018 0.00882 123 2PX 0.00516 -0.00851 -0.01174 0.01560 -0.01319 124 2PY -0.00529 0.00996 0.01375 -0.01771 0.01588 125 2PZ 0.00617 -0.01245 -0.01473 0.01961 -0.01154 126 3S -0.00390 0.01251 0.03147 -0.03773 0.00629 127 3PX 0.00199 -0.00600 -0.00563 0.00973 0.00038 128 3PY -0.00253 0.00669 0.01616 -0.01175 0.00521 129 3PZ 0.00383 -0.00790 -0.01775 0.02504 -0.00721 130 4XX 0.00020 -0.00065 -0.00111 0.00096 -0.00094 131 4YY -0.00009 -0.00003 -0.00013 -0.00003 -0.00027 132 4ZZ -0.00014 0.00009 0.00066 -0.00030 0.00101 133 4XY -0.00017 0.00026 0.00080 -0.00045 0.00097 134 4XZ 0.00001 0.00012 0.00006 -0.00005 0.00035 135 4YZ 0.00016 -0.00043 -0.00047 0.00070 -0.00002 136 10 C 1S -0.00310 0.00553 0.01025 -0.00763 0.00150 137 2S 0.00531 -0.01007 -0.01913 0.01712 -0.00536 138 2PX -0.00978 0.01997 0.02920 -0.03036 0.01420 139 2PY 0.00573 -0.01228 -0.01891 0.00783 -0.01899 140 2PZ -0.00435 0.00714 0.00016 -0.01175 -0.00840 141 3S 0.01204 -0.02361 -0.07032 0.03637 0.01361 142 3PX -0.00695 0.01288 0.02317 -0.02042 0.00506 143 3PY 0.00358 -0.00640 -0.01513 -0.01964 -0.02121 144 3PZ -0.00283 0.00259 -0.01889 0.00068 0.00052 145 4XX -0.00049 0.00062 0.00173 -0.00085 0.00123 146 4YY -0.00046 0.00077 0.00125 -0.00117 0.00188 147 4ZZ -0.00000 -0.00014 -0.00071 0.00101 -0.00167 148 4XY 0.00072 -0.00133 -0.00288 0.00292 -0.00289 149 4XZ -0.00093 0.00187 0.00345 -0.00338 0.00299 150 4YZ 0.00073 -0.00126 -0.00208 0.00249 -0.00110 151 11 C 1S -0.00144 0.00286 0.00610 0.00166 0.00010 152 2S 0.00264 -0.00507 -0.01161 -0.00462 -0.00093 153 2PX -0.00635 0.01224 0.02225 0.00579 0.00123 154 2PY 0.00213 -0.00362 -0.00948 -0.01493 0.01127 155 2PZ -0.00265 0.00690 0.01242 0.00979 -0.00787 156 3S 0.00444 -0.00841 -0.02648 0.00444 0.00587 157 3PX -0.00257 0.00492 0.00467 -0.00665 -0.00193 158 3PY 0.00168 -0.00265 -0.00768 -0.00999 0.01321 159 3PZ -0.00333 0.00596 0.02018 0.00868 -0.00488 160 4XX -0.00013 0.00004 0.00057 0.00147 -0.00069 161 4YY -0.00009 0.00021 0.00030 -0.00063 0.00068 162 4ZZ -0.00001 0.00004 -0.00049 -0.00119 0.00007 163 4XY 0.00017 -0.00026 -0.00071 0.00062 -0.00049 164 4XZ 0.00008 -0.00015 -0.00004 -0.00086 0.00048 165 4YZ -0.00024 0.00040 0.00091 0.00136 -0.00066 166 12 H 1S 0.00329 -0.00688 -0.01121 -0.01172 0.00603 167 2S -0.00127 0.00020 0.00948 -0.01045 -0.00229 168 13 H 1S -0.00027 0.00173 0.00152 -0.00066 -0.00048 169 2S -0.00031 0.00205 0.00257 0.00070 -0.00148 170 14 C 1S 0.00048 -0.00081 -0.00183 -0.00126 0.00017 171 2S -0.00085 0.00163 0.00245 0.00239 -0.00113 172 2PX 0.00266 -0.00430 -0.00835 -0.00641 0.00206 173 2PY -0.00100 0.00143 0.00395 0.00558 -0.00282 174 2PZ -0.00016 -0.00001 0.00119 0.00151 0.00004 175 3S -0.00256 0.00444 0.01562 0.00998 0.00266 176 3PX 0.00121 -0.00170 -0.00560 -0.00377 -0.00036 177 3PY -0.00031 0.00050 0.00315 0.00477 -0.00354 178 3PZ -0.00019 0.00040 0.00442 0.00472 0.00004 179 4XX 0.00008 -0.00017 -0.00024 0.00000 -0.00013 180 4YY 0.00007 -0.00013 -0.00030 -0.00017 0.00004 181 4ZZ -0.00001 0.00008 0.00011 -0.00006 -0.00008 182 4XY -0.00001 0.00005 0.00022 0.00027 -0.00025 183 4XZ 0.00009 -0.00022 -0.00057 -0.00040 0.00022 184 4YZ -0.00012 0.00025 0.00040 0.00018 -0.00004 185 15 H 1S 0.00038 -0.00059 -0.00028 0.00120 -0.00143 186 2S 0.00066 -0.00117 -0.00085 0.00079 -0.00084 187 16 H 1S -0.00047 0.00122 0.00141 -0.00042 0.00029 188 2S -0.00015 0.00079 0.00212 0.00081 -0.00094 189 17 C 1S -0.00039 0.00077 0.00164 0.00041 -0.00016 190 2S 0.00074 -0.00160 -0.00274 -0.00081 0.00024 191 2PX -0.00124 0.00248 0.00391 0.00164 -0.00090 192 2PY 0.00085 -0.00138 -0.00341 -0.00387 0.00205 193 2PZ -0.00075 0.00093 0.00305 0.00190 -0.00096 194 3S 0.00165 -0.00339 -0.00947 -0.00446 0.00103 195 3PX -0.00076 0.00133 0.00320 0.00113 -0.00098 196 3PY 0.00076 -0.00156 -0.00494 -0.00505 0.00232 197 3PZ -0.00091 0.00133 0.00298 0.00171 0.00155 198 4XX -0.00004 0.00010 0.00027 0.00039 -0.00041 199 4YY -0.00005 0.00008 0.00022 -0.00005 0.00012 200 4ZZ 0.00003 -0.00005 -0.00014 -0.00021 0.00013 201 4XY 0.00010 -0.00020 -0.00035 -0.00010 0.00002 202 4XZ -0.00001 0.00002 -0.00000 -0.00023 0.00017 203 4YZ -0.00004 0.00005 0.00017 0.00020 -0.00014 204 18 C 1S -0.00055 0.00100 0.00216 -0.00138 0.00211 205 2S 0.00107 -0.00221 -0.00381 0.00264 -0.00373 206 2PX -0.00240 0.00372 0.00755 -0.00716 0.00974 207 2PY 0.00177 -0.00295 -0.00472 0.00448 -0.00545 208 2PZ 0.00017 0.00000 -0.00195 0.00127 -0.00102 209 3S 0.00254 -0.00453 -0.01546 0.01167 -0.01450 210 3PX -0.00174 0.00253 0.00760 -0.00879 0.00726 211 3PY 0.00163 -0.00249 -0.00558 0.00424 -0.00421 212 3PZ 0.00048 -0.00016 -0.00203 0.00267 -0.00449 213 4XX -0.00010 0.00023 0.00034 0.00002 0.00013 214 4YY -0.00012 0.00017 0.00031 -0.00047 0.00050 215 4ZZ 0.00008 -0.00017 -0.00017 0.00027 -0.00005 216 4XY 0.00016 -0.00037 -0.00046 0.00046 -0.00040 217 4XZ -0.00026 0.00041 0.00070 -0.00076 0.00076 218 4YZ 0.00014 -0.00025 -0.00037 0.00057 -0.00044 219 19 H 1S 0.00026 -0.00080 -0.00067 0.00093 -0.00093 220 2S 0.00073 -0.00111 -0.00034 0.00223 0.00016 221 20 H 1S -0.00147 0.00252 0.00343 -0.00475 0.00500 222 2S -0.00216 0.00411 0.00750 -0.00946 0.00950 223 21 H 1S -0.00003 -0.00014 0.00003 -0.00062 0.00038 224 2S -0.00011 0.00024 0.00143 0.00044 -0.00052 225 22 H 1S -0.00050 0.00102 0.00167 0.00228 -0.00160 226 2S -0.00070 0.00148 0.00261 0.00386 -0.00189 227 23 H 1S 0.00425 -0.00685 -0.00849 0.01477 0.00037 228 2S 0.00148 -0.00332 -0.00724 0.00390 -0.01089 229 24 H 1S 0.00051 -0.00122 0.00069 0.00154 0.00414 230 2S 0.00107 -0.00244 -0.00045 0.00247 0.00655 231 25 H 1S -0.00048 0.00144 0.00108 -0.00159 0.00213 232 2S -0.00138 0.00271 0.00298 -0.00637 0.00408 233 26 H 1S -0.00010 0.00092 -0.00002 -0.00070 -0.00070 234 2S -0.00076 0.00215 0.00296 -0.00149 0.00228 235 27 H 1S 0.00236 -0.00503 -0.00110 0.00853 -0.00523 236 2S 0.00290 -0.00635 -0.00270 0.01735 -0.01077 237 28 Br 1S 0.00004 0.00054 0.00016 -0.00141 0.00029 238 2S -0.00011 -0.00279 -0.00108 0.00791 -0.00115 239 3S -0.00011 0.00224 0.00133 -0.00757 0.00020 240 4S -0.00047 0.00353 0.00207 -0.01194 0.00087 241 5S 0.00114 -0.00110 -0.00304 0.01286 0.00841 242 6S 0.00023 -0.00079 0.00224 -0.00840 -0.01853 243 7PX 0.00011 0.00049 0.00026 -0.00043 0.00011 244 7PY 0.00134 -0.00280 -0.00213 0.00505 -0.00121 245 7PZ 0.00016 0.00044 -0.00103 -0.00004 -0.00399 246 8PX -0.00031 -0.00146 -0.00063 0.00112 -0.00009 247 8PY -0.00417 0.00815 0.00661 -0.01786 0.00458 248 8PZ -0.00018 -0.00014 0.00310 -0.00068 0.01206 249 9PX 0.00058 0.00267 0.00112 -0.00202 -0.00033 250 9PY 0.00778 -0.01492 -0.01234 0.03514 -0.00776 251 9PZ 0.00013 -0.00004 -0.00574 0.00109 -0.02282 252 10PX 0.00035 0.00237 0.00177 -0.00270 0.00264 253 10PY 0.00549 -0.01136 -0.01073 0.02431 -0.01454 254 10PZ 0.00055 -0.00105 -0.00400 0.00403 -0.02024 255 11XX -0.00009 -0.00084 -0.00048 0.00318 -0.00031 256 11YY -0.00012 -0.00164 -0.00086 0.00448 0.00008 257 11ZZ 0.00006 -0.00130 -0.00059 0.00411 -0.00049 258 11XY -0.00005 -0.00025 0.00005 -0.00028 -0.00010 259 11XZ -0.00003 -0.00012 0.00007 -0.00006 0.00002 260 11YZ -0.00003 -0.00025 -0.00040 -0.00022 -0.00204 261 12XX 0.00030 -0.00082 -0.00086 0.00610 0.00444 262 12YY -0.00033 -0.00037 -0.00070 0.00157 0.00213 263 12ZZ -0.00008 0.00004 -0.00086 0.00373 0.00321 264 12XY 0.00002 0.00011 -0.00018 0.00050 0.00072 265 12XZ 0.00002 0.00010 0.00022 -0.00018 0.00033 266 12YZ -0.00004 0.00017 0.00109 0.00126 0.00450 267 29 C 1S -0.00319 0.00499 0.00423 0.00319 0.00976 268 2S 0.00512 -0.01180 -0.00951 -0.00646 -0.01981 269 2PX -0.00329 0.00582 -0.00669 -0.00672 0.01102 270 2PY 0.00253 -0.00381 -0.00555 0.00245 0.00168 271 2PZ -0.01051 0.02235 0.01825 0.00374 0.03366 272 3S 0.01272 -0.01895 -0.01810 -0.02874 -0.06223 273 3PX -0.00256 0.00383 -0.01273 -0.01072 0.01047 274 3PY 0.00098 -0.00009 0.00018 0.00564 0.01641 275 3PZ -0.00694 0.01047 0.01156 0.00898 0.02811 276 4XX 0.00001 -0.00044 -0.00118 -0.00015 -0.00082 277 4YY 0.00040 -0.00132 -0.00201 0.00257 -0.00458 278 4ZZ -0.00169 0.00294 0.00409 -0.00311 0.00820 279 4XY 0.00010 -0.00043 -0.00008 -0.00072 -0.00047 280 4XZ -0.00084 0.00179 0.00176 -0.00145 0.00469 281 4YZ 0.00088 -0.00178 -0.00164 -0.00019 -0.00329 282 30 H 1S 0.00434 -0.00813 -0.00381 0.00465 -0.01765 283 2S 0.00309 -0.00642 -0.01193 0.00607 -0.01906 284 31 H 1S -0.00794 0.01547 0.01532 -0.00784 0.03015 285 2S -0.01057 0.02249 0.02690 -0.00968 0.05747 286 32 H 1S 0.00381 -0.00786 -0.01199 -0.00085 -0.01343 287 2S 0.00132 -0.00463 -0.00419 0.01054 -0.01407 288 33 H 1S -0.05327 0.10044 0.00860 -0.14889 -0.22295 289 2S -0.00467 0.01778 0.00408 -0.12397 -0.18707 290 34 H 1S -0.05439 0.10487 0.14573 0.22453 -0.03590 291 2S -0.00627 0.02182 0.11254 0.17844 -0.02744 292 35 H 1S 0.00756 -0.01973 0.02470 -0.02336 -0.01754 293 2S 0.00926 -0.02125 0.04121 -0.04046 -0.04647 294 36 H 1S 0.00965 -0.02087 0.02465 -0.01001 0.00686 295 2S 0.01078 -0.02115 0.04708 -0.02114 0.01782 296 37 H 1S 0.00289 -0.00611 0.01462 0.00052 0.00550 297 2S 0.00170 -0.00452 0.01560 -0.01065 -0.00545 298 38 H 1S -0.00781 0.01720 -0.03693 0.00327 0.00467 299 2S -0.00845 0.02032 -0.05757 -0.00241 0.00722 300 39 H 1S -0.00044 0.00366 0.00288 -0.00570 0.00870 301 2S -0.00035 0.00256 0.00779 -0.00789 0.00812 302 40 H 1S -0.00090 0.00084 -0.00170 0.00054 0.00058 303 2S -0.00041 -0.00178 -0.00179 0.00597 -0.00157 51 52 53 54 55 51 3S 0.32961 52 3PX 0.00409 0.08378 53 3PY -0.01120 0.00706 0.09065 54 3PZ 0.00845 -0.00181 0.00364 0.08155 55 4XX -0.00543 -0.00364 0.00402 0.00271 0.00114 56 4YY 0.00016 0.00447 0.00360 -0.00176 -0.00010 57 4ZZ -0.00116 0.00102 -0.00691 -0.00337 -0.00051 58 4XY 0.00420 0.00481 0.00639 -0.00239 -0.00013 59 4XZ -0.00128 0.00153 -0.00209 0.00246 -0.00005 60 4YZ 0.00229 -0.00234 -0.00368 -0.00787 -0.00035 61 5 C 1S 0.00732 -0.00364 0.00344 -0.00994 0.00003 62 2S 0.00092 0.01263 -0.01715 0.02871 -0.00084 63 2PX -0.06126 -0.01521 0.03685 -0.04776 0.00836 64 2PY 0.07529 0.03627 -0.03777 0.06564 -0.00214 65 2PZ -0.09864 -0.03562 0.05665 -0.08185 0.00093 66 3S -0.00647 0.00463 -0.01927 0.03443 0.00050 67 3PX -0.01099 0.00269 0.01905 -0.02246 0.00298 68 3PY 0.00478 0.01322 -0.00255 0.02902 0.00021 69 3PZ -0.01884 -0.01147 0.02018 -0.03100 0.00037 70 4XX -0.00092 -0.00384 -0.00002 0.00029 0.00034 71 4YY -0.00082 0.00102 0.00423 0.00058 0.00007 72 4ZZ 0.00403 0.00236 -0.00267 -0.00314 -0.00040 73 4XY -0.00550 0.00064 0.00027 -0.00385 -0.00032 74 4XZ 0.00943 -0.00081 -0.00462 0.00351 -0.00021 75 4YZ -0.00877 -0.00287 -0.00051 -0.00229 0.00021 76 6 C 1S 0.01182 -0.00038 -0.00642 0.00745 0.00041 77 2S -0.01706 -0.00019 0.01261 -0.01451 -0.00129 78 2PX -0.01697 0.00541 0.01265 -0.00725 -0.00153 79 2PY -0.04700 -0.01598 0.01960 -0.03619 -0.00309 80 2PZ 0.02458 0.00786 -0.00195 -0.00103 0.00117 81 3S -0.02797 -0.00556 0.03268 -0.02633 -0.00159 82 3PX -0.02750 0.01123 0.02271 -0.01136 0.00040 83 3PY -0.00570 0.00065 0.00494 -0.00753 -0.00131 84 3PZ 0.01370 0.00222 -0.00438 -0.00803 -0.00019 85 4XX -0.00249 -0.00062 0.00185 -0.00267 0.00025 86 4YY 0.00142 0.00118 -0.00136 0.00200 -0.00016 87 4ZZ 0.00165 0.00007 -0.00164 0.00166 -0.00003 88 4XY -0.00180 -0.00072 0.00107 -0.00147 -0.00009 89 4XZ 0.00083 0.00054 -0.00062 -0.00056 -0.00003 90 4YZ -0.00360 -0.00085 0.00288 -0.00325 0.00009 91 7 C 1S -0.00376 -0.00241 0.00096 -0.00459 -0.00019 92 2S 0.00785 0.00636 -0.00484 0.01012 0.00036 93 2PX -0.00117 -0.00550 0.00022 -0.00557 0.00020 94 2PY 0.03778 0.01742 -0.01619 0.02564 0.00067 95 2PZ -0.00141 -0.00436 -0.00102 0.00589 -0.00018 96 3S 0.02179 0.00741 -0.02073 0.02151 0.00006 97 3PX -0.00565 -0.00594 0.00276 -0.00773 -0.00004 98 3PY 0.02742 0.00742 -0.01445 0.02228 0.00029 99 3PZ -0.00304 -0.00081 0.00017 0.00483 0.00007 100 4XX 0.00045 -0.00029 -0.00052 0.00024 0.00001 101 4YY -0.00004 0.00043 0.00038 -0.00055 -0.00004 102 4ZZ -0.00208 -0.00034 0.00086 -0.00111 -0.00004 103 4XY -0.00152 -0.00040 0.00061 -0.00120 -0.00009 104 4XZ 0.00099 0.00023 -0.00035 -0.00013 0.00001 105 4YZ 0.00091 0.00018 -0.00052 -0.00076 -0.00002 106 8 C 1S -0.00093 0.00022 0.00083 -0.00024 -0.00000 107 2S 0.00232 -0.00078 -0.00214 0.00025 -0.00004 108 2PX -0.00824 0.00346 0.00398 -0.00408 -0.00016 109 2PY 0.00694 0.00283 -0.00653 0.00010 -0.00037 110 2PZ -0.00362 -0.00016 0.00364 -0.00345 -0.00000 111 3S 0.00438 0.00045 -0.00166 0.00229 0.00018 112 3PX -0.00636 0.00181 0.00144 -0.00411 -0.00021 113 3PY 0.00138 0.00186 -0.00330 -0.00275 -0.00036 114 3PZ -0.00027 -0.00040 0.00032 -0.00357 -0.00021 115 4XX -0.00126 -0.00027 0.00036 -0.00043 0.00007 116 4YY 0.00095 0.00039 -0.00025 0.00079 -0.00004 117 4ZZ 0.00011 0.00001 0.00006 -0.00015 -0.00004 118 4XY -0.00126 -0.00030 0.00044 -0.00071 -0.00002 119 4XZ -0.00015 0.00011 0.00014 -0.00010 0.00001 120 4YZ -0.00089 -0.00006 0.00042 -0.00023 0.00005 121 9 C 1S -0.00311 -0.00042 0.00159 -0.00175 0.00037 122 2S 0.01195 0.00379 -0.00660 0.00550 -0.00104 123 2PX -0.04254 -0.00540 0.01623 -0.01700 0.00183 124 2PY 0.03353 0.00617 -0.01044 0.01772 -0.00152 125 2PZ -0.03472 0.00078 0.01480 -0.00897 0.00173 126 3S 0.02443 0.01466 -0.02097 0.00589 -0.00259 127 3PX -0.02510 -0.00415 0.01062 -0.00611 0.00103 128 3PY 0.02042 0.00839 -0.00858 0.00792 -0.00099 129 3PZ -0.02114 -0.00427 0.01516 -0.00528 0.00156 130 4XX -0.00111 -0.00061 0.00040 -0.00060 0.00014 131 4YY 0.00022 -0.00020 -0.00008 -0.00019 0.00003 132 4ZZ -0.00047 0.00053 0.00026 0.00054 -0.00007 133 4XY -0.00002 0.00048 -0.00009 0.00042 -0.00009 134 4XZ 0.00053 0.00017 -0.00000 0.00066 -0.00001 135 4YZ -0.00179 0.00006 0.00072 -0.00018 0.00009 136 10 C 1S 0.01069 0.00534 -0.00514 0.00011 -0.00149 137 2S -0.01856 -0.00850 0.01071 -0.00277 0.00272 138 2PX 0.05107 0.01269 -0.02274 0.01040 -0.00608 139 2PY -0.02967 -0.00867 0.00179 -0.02163 0.00351 140 2PZ 0.04620 -0.00894 -0.01527 0.00263 0.00017 141 3S -0.03739 -0.03002 0.02123 0.00365 0.00464 142 3PX 0.02884 0.00930 -0.01192 0.00363 -0.00297 143 3PY -0.01036 -0.00640 -0.01019 -0.01521 0.00078 144 3PZ 0.01378 -0.01419 -0.00251 0.00248 0.00065 145 4XX 0.00013 -0.00006 0.00025 -0.00007 0.00006 146 4YY 0.00080 0.00082 -0.00110 0.00087 -0.00010 147 4ZZ 0.00000 0.00035 0.00044 -0.00028 -0.00011 148 4XY -0.00179 -0.00102 0.00127 -0.00133 -0.00003 149 4XZ 0.00246 0.00146 -0.00158 0.00192 -0.00024 150 4YZ -0.00394 -0.00102 0.00236 -0.00087 0.00018 151 11 C 1S 0.00447 0.00033 0.00261 0.00053 -0.00034 152 2S -0.00692 -0.00184 -0.00510 -0.00166 0.00036 153 2PX 0.03276 -0.00301 0.01940 0.00630 -0.00102 154 2PY -0.01682 0.00147 -0.01645 0.00862 0.00088 155 2PZ -0.00002 -0.00990 0.01277 -0.00840 -0.00091 156 3S -0.01209 -0.00961 -0.00109 0.00089 0.00075 157 3PX 0.01479 -0.00393 0.00582 0.00130 -0.00056 158 3PY -0.00828 -0.00032 -0.00872 0.00748 0.00067 159 3PZ 0.00336 0.00242 0.00702 -0.00404 -0.00066 160 4XX -0.00040 0.00032 0.00106 -0.00055 0.00014 161 4YY 0.00017 0.00026 -0.00046 0.00048 -0.00010 162 4ZZ 0.00013 -0.00038 -0.00083 0.00019 -0.00001 163 4XY -0.00110 -0.00067 0.00068 -0.00060 0.00002 164 4XZ -0.00109 0.00069 -0.00096 0.00034 -0.00004 165 4YZ -0.00027 -0.00061 0.00182 -0.00048 -0.00003 166 12 H 1S -0.01231 0.00922 -0.01953 0.00523 0.00074 167 2S -0.00007 0.01580 -0.01730 0.00251 -0.00027 168 13 H 1S -0.00624 -0.00605 0.00271 -0.00083 -0.00026 169 2S -0.00628 -0.00560 0.00475 -0.00080 -0.00042 170 14 C 1S -0.00349 0.00005 -0.00188 -0.00049 -0.00006 171 2S 0.00423 0.00001 0.00345 0.00029 0.00004 172 2PX -0.02285 0.00300 -0.01413 -0.00252 0.00005 173 2PY 0.01068 -0.00135 0.00908 -0.00172 -0.00009 174 2PZ 0.00219 0.00479 -0.00028 0.00178 0.00001 175 3S 0.00865 0.00555 0.00643 0.00245 0.00017 176 3PX -0.00985 0.00070 -0.00660 -0.00174 -0.00015 177 3PY 0.00430 0.00025 0.00499 -0.00181 0.00018 178 3PZ 0.00054 0.00460 0.00191 0.00083 0.00003 179 4XX 0.00021 0.00014 -0.00000 -0.00014 -0.00001 180 4YY -0.00057 0.00001 -0.00024 0.00004 0.00002 181 4ZZ -0.00013 -0.00024 -0.00006 -0.00006 -0.00000 182 4XY -0.00023 -0.00013 0.00021 -0.00035 -0.00004 183 4XZ -0.00065 0.00012 -0.00067 0.00017 0.00004 184 4YZ 0.00054 -0.00040 0.00060 0.00001 -0.00001 185 15 H 1S -0.00340 0.00011 0.00010 -0.00256 -0.00011 186 2S -0.00433 0.00004 -0.00035 -0.00247 -0.00024 187 16 H 1S 0.00018 -0.00287 0.00109 0.00010 0.00001 188 2S -0.00184 -0.00228 0.00178 -0.00075 -0.00002 189 17 C 1S 0.00205 -0.00074 0.00149 -0.00030 -0.00010 190 2S -0.00312 0.00103 -0.00334 0.00069 0.00019 191 2PX 0.00745 -0.00191 0.00458 -0.00254 -0.00034 192 2PY -0.00760 0.00265 -0.00855 0.00004 0.00017 193 2PZ 0.01004 -0.00336 0.00381 0.00044 -0.00012 194 3S -0.00396 -0.00099 -0.00660 0.00157 0.00053 195 3PX 0.00348 -0.00023 0.00241 -0.00171 -0.00025 196 3PY -0.00449 0.00013 -0.00609 0.00058 0.00008 197 3PZ 0.00668 -0.00160 0.00271 0.00109 -0.00018 198 4XX 0.00005 -0.00017 0.00067 -0.00038 0.00001 199 4YY 0.00056 0.00017 -0.00003 0.00021 -0.00003 200 4ZZ -0.00036 -0.00001 -0.00034 0.00002 0.00000 201 4XY -0.00042 -0.00010 -0.00025 -0.00002 0.00002 202 4XZ 0.00027 0.00007 -0.00032 0.00021 -0.00001 203 4YZ 0.00032 -0.00022 0.00035 -0.00018 0.00000 204 18 C 1S 0.00354 0.00119 -0.00086 0.00226 -0.00027 205 2S -0.00650 -0.00189 0.00204 -0.00370 0.00052 206 2PX 0.02338 0.00583 -0.00642 0.01410 -0.00112 207 2PY -0.01537 -0.00415 0.00517 -0.00609 0.00073 208 2PZ -0.00417 0.00096 -0.00106 -0.00058 0.00007 209 3S -0.00810 -0.00571 0.00374 -0.00909 0.00121 210 3PX 0.01095 0.00397 -0.00490 0.00754 -0.00094 211 3PY -0.00994 -0.00291 0.00343 -0.00387 0.00046 212 3PZ -0.00152 0.00020 -0.00022 -0.00169 0.00022 213 4XX 0.00035 -0.00012 0.00011 -0.00007 -0.00003 214 4YY 0.00068 0.00024 -0.00043 0.00051 -0.00003 215 4ZZ -0.00033 0.00014 0.00013 0.00003 0.00002 216 4XY -0.00057 -0.00021 0.00029 -0.00024 0.00006 217 4XZ 0.00166 0.00027 -0.00061 0.00074 -0.00008 218 4YZ -0.00087 -0.00037 0.00067 -0.00058 0.00006 219 19 H 1S 0.00053 -0.00070 0.00131 -0.00125 0.00014 220 2S -0.00154 -0.00024 0.00265 -0.00029 0.00014 221 20 H 1S 0.01075 0.00393 -0.00561 0.00624 -0.00059 222 2S 0.01403 0.00572 -0.00827 0.00908 -0.00097 223 21 H 1S 0.00265 -0.00110 -0.00137 0.00007 0.00000 224 2S 0.00194 -0.00107 0.00024 -0.00048 -0.00000 225 22 H 1S 0.00233 -0.00093 0.00426 -0.00193 -0.00007 226 2S 0.00285 -0.00149 0.00628 -0.00231 -0.00002 227 23 H 1S -0.03038 0.00078 0.01555 0.00102 0.00030 228 2S -0.02343 -0.00052 0.00966 -0.00404 -0.00069 229 24 H 1S -0.00789 0.00410 0.00419 0.00312 0.00015 230 2S -0.01048 0.00275 0.00549 0.00405 0.00022 231 25 H 1S 0.00022 0.00043 0.00126 0.00279 0.00010 232 2S 0.00499 0.00308 -0.00203 0.00482 -0.00017 233 26 H 1S -0.00003 0.00004 0.00119 -0.00197 -0.00013 234 2S 0.00184 0.00150 0.00048 -0.00014 -0.00020 235 27 H 1S -0.01356 -0.00340 0.00573 -0.00225 -0.00033 236 2S -0.01314 -0.00432 0.00864 -0.00468 -0.00039 237 28 Br 1S 0.00005 0.00319 0.00165 -0.00247 0.00014 238 2S -0.00065 -0.01537 -0.00721 0.01209 -0.00057 239 3S 0.00137 0.01057 0.00356 -0.00868 0.00019 240 4S 0.00219 0.01585 0.00504 -0.01314 0.00025 241 5S -0.00012 -0.00128 0.00622 0.00363 0.00081 242 6S -0.00136 0.00204 -0.00333 -0.00439 -0.00060 243 7PX -0.00236 -0.00106 0.00245 0.00018 -0.00000 244 7PY -0.00426 0.00046 0.00215 -0.00301 0.00002 245 7PZ -0.00025 0.00061 0.00340 -0.00246 0.00013 246 8PX 0.01351 0.00111 -0.00529 0.00317 -0.00003 247 8PY 0.01953 0.00776 -0.00979 0.00036 -0.00023 248 8PZ 0.00028 -0.00149 -0.00307 0.01203 0.00024 249 9PX -0.02723 -0.00128 0.00892 -0.00743 0.00003 250 9PY -0.03818 -0.01785 0.01960 0.00329 0.00054 251 9PZ -0.00073 0.00242 0.00306 -0.02438 -0.00066 252 10PX -0.02058 -0.00088 0.00665 -0.00397 0.00008 253 10PY -0.03030 -0.01427 0.01406 -0.00101 0.00017 254 10PZ -0.00005 0.00169 0.00326 -0.01871 -0.00054 255 11XX -0.00141 -0.00698 -0.00261 0.00603 -0.00012 256 11YY 0.00177 -0.00546 -0.00328 0.00416 -0.00030 257 11ZZ -0.00185 -0.00682 -0.00195 0.00523 -0.00013 258 11XY 0.00297 0.00041 -0.00096 0.00081 -0.00004 259 11XZ 0.00108 0.00038 -0.00066 0.00057 -0.00003 260 11YZ 0.00055 -0.00082 -0.00040 -0.00031 -0.00007 261 12XX -0.00042 -0.00218 0.00144 0.00329 0.00020 262 12YY -0.00033 -0.00299 -0.00083 0.00251 0.00001 263 12ZZ 0.00023 -0.00182 0.00082 0.00141 0.00014 264 12XY -0.00124 -0.00011 0.00092 0.00020 0.00002 265 12XZ -0.00131 -0.00007 0.00038 -0.00038 -0.00000 266 12YZ 0.00001 0.00058 0.00084 0.00221 0.00015 267 29 C 1S 0.01379 0.00190 0.00194 0.00792 -0.00010 268 2S -0.02029 -0.00465 -0.00327 -0.01157 -0.00025 269 2PX 0.03216 -0.01219 -0.01443 0.01759 0.00051 270 2PY -0.02940 -0.01105 0.00176 0.00009 0.00007 271 2PZ 0.05962 0.01260 -0.00891 0.02636 0.00068 272 3S -0.02914 -0.00929 -0.01177 -0.02907 -0.00129 273 3PX 0.01645 -0.01056 -0.01042 0.01048 0.00028 274 3PY -0.00963 -0.00396 0.00274 0.00665 0.00034 275 3PZ 0.02662 0.00585 -0.00032 0.01552 0.00087 276 4XX -0.00172 -0.00061 -0.00001 -0.00058 -0.00001 277 4YY -0.00162 -0.00103 0.00104 -0.00214 0.00002 278 4ZZ 0.00435 0.00188 -0.00140 0.00386 0.00002 279 4XY -0.00082 -0.00075 -0.00048 -0.00012 -0.00015 280 4XZ 0.00333 0.00092 -0.00085 0.00240 -0.00015 281 4YZ -0.00452 -0.00090 0.00085 -0.00260 -0.00001 282 30 H 1S -0.02860 0.00165 0.00671 -0.01434 0.00007 283 2S -0.02208 -0.00238 0.00598 -0.01297 0.00057 284 31 H 1S 0.04680 0.01013 -0.01152 0.02182 0.00019 285 2S 0.05191 0.01542 -0.01077 0.03438 0.00006 286 32 H 1S -0.01670 -0.01404 -0.00394 -0.00352 -0.00024 287 2S -0.01185 -0.00814 0.00198 -0.00447 -0.00047 288 33 H 1S 0.10680 0.00216 -0.07324 -0.09740 -0.00888 289 2S 0.01873 0.00132 -0.05994 -0.08185 -0.00696 290 34 H 1S 0.10125 0.07136 0.10206 -0.01482 -0.00074 291 2S 0.01712 0.05549 0.07970 -0.01214 0.00036 292 35 H 1S -0.03056 0.02325 -0.01615 -0.00699 -0.00189 293 2S -0.02494 0.02459 -0.02221 -0.01848 -0.00438 294 36 H 1S -0.04485 0.00894 -0.00104 -0.00252 0.00357 295 2S -0.03311 0.01624 -0.00604 0.00392 0.00076 296 37 H 1S -0.01100 0.00571 -0.00037 0.01221 -0.00091 297 2S -0.00954 0.00634 -0.00646 0.00619 -0.00184 298 38 H 1S 0.03572 -0.02876 0.00950 0.00116 -0.00084 299 2S 0.03318 -0.03672 0.00433 0.00191 -0.00042 300 39 H 1S -0.00648 -0.00175 0.00203 0.00590 0.00017 301 2S -0.00386 0.00120 -0.00114 0.00711 -0.00026 302 40 H 1S 0.00607 0.00392 0.00070 0.00237 0.00004 303 2S 0.00291 0.00344 0.00243 -0.00000 -0.00009 56 57 58 59 60 56 4YY 0.00081 57 4ZZ -0.00007 0.00119 58 4XY 0.00049 -0.00034 0.00128 59 4XZ -0.00011 0.00018 -0.00032 0.00063 60 4YZ -0.00018 0.00060 -0.00013 -0.00038 0.00131 61 5 C 1S -0.00015 -0.00210 0.00254 -0.00357 0.00383 62 2S -0.00018 0.00335 -0.00506 0.00680 -0.00749 63 2PX -0.00123 -0.00404 -0.00193 0.00022 0.00700 64 2PY -0.00746 0.00632 -0.00192 0.00756 -0.00150 65 2PZ -0.00156 0.00532 0.00670 -0.00502 0.00753 66 3S -0.00173 0.00315 -0.00760 0.00885 -0.00786 67 3PX 0.00063 -0.00219 0.00082 0.00003 0.00221 68 3PY -0.00210 0.00100 0.00039 0.00309 -0.00271 69 3PZ -0.00110 0.00222 0.00351 -0.00254 0.00317 70 4XX -0.00006 -0.00039 -0.00022 -0.00023 0.00004 71 4YY 0.00032 -0.00036 0.00046 -0.00021 -0.00018 72 4ZZ -0.00019 0.00061 0.00012 0.00004 0.00062 73 4XY 0.00038 0.00019 0.00033 -0.00024 0.00002 74 4XZ -0.00028 0.00016 -0.00027 0.00021 -0.00003 75 4YZ -0.00033 0.00030 -0.00027 0.00007 0.00043 76 6 C 1S -0.00190 0.00016 -0.00049 0.00068 0.00095 77 2S 0.00334 -0.00046 0.00135 -0.00163 -0.00200 78 2PX 0.00328 0.00068 0.00209 -0.00181 -0.00236 79 2PY 0.00464 0.00060 0.00307 -0.00338 -0.00337 80 2PZ -0.00440 0.00246 -0.00048 0.00066 0.00469 81 3S 0.00629 -0.00296 0.00370 -0.00302 -0.00259 82 3PX 0.00300 -0.00154 0.00303 -0.00182 -0.00118 83 3PY 0.00114 0.00024 0.00229 -0.00123 -0.00157 84 3PZ -0.00235 0.00236 -0.00113 0.00026 0.00323 85 4XX 0.00006 -0.00020 0.00002 -0.00008 0.00018 86 4YY -0.00023 0.00038 -0.00007 0.00024 -0.00009 87 4ZZ -0.00005 -0.00001 -0.00014 0.00008 0.00002 88 4XY 0.00015 0.00011 0.00010 -0.00006 -0.00014 89 4XZ -0.00019 0.00018 0.00008 0.00001 0.00021 90 4YZ 0.00005 0.00004 0.00027 -0.00016 0.00034 91 7 C 1S 0.00057 -0.00026 0.00030 -0.00041 -0.00029 92 2S -0.00107 0.00039 -0.00087 0.00101 0.00045 93 2PX 0.00033 -0.00058 0.00021 -0.00047 -0.00013 94 2PY -0.00224 0.00075 -0.00145 0.00180 0.00095 95 2PZ 0.00062 -0.00072 -0.00006 -0.00030 -0.00083 96 3S -0.00288 0.00130 -0.00186 0.00200 -0.00028 97 3PX 0.00072 -0.00036 -0.00020 -0.00055 0.00054 98 3PY -0.00194 0.00056 -0.00079 0.00130 -0.00017 99 3PZ 0.00071 -0.00080 -0.00019 -0.00001 -0.00049 100 4XX -0.00006 -0.00001 -0.00005 0.00004 0.00002 101 4YY 0.00007 0.00003 0.00005 -0.00007 -0.00001 102 4ZZ 0.00009 0.00003 0.00007 -0.00003 -0.00000 103 4XY 0.00017 -0.00001 0.00010 -0.00012 -0.00010 104 4XZ -0.00006 0.00004 -0.00002 0.00005 0.00005 105 4YZ -0.00014 0.00011 -0.00003 -0.00000 0.00012 106 8 C 1S 0.00010 -0.00004 0.00000 -0.00004 -0.00002 107 2S -0.00017 0.00003 -0.00005 0.00007 0.00003 108 2PX 0.00037 0.00021 0.00030 -0.00023 -0.00005 109 2PY -0.00008 0.00023 -0.00009 0.00007 -0.00030 110 2PZ 0.00021 0.00010 0.00018 -0.00003 0.00016 111 3S -0.00042 -0.00003 0.00027 0.00030 -0.00035 112 3PX 0.00051 0.00006 0.00001 -0.00020 0.00006 113 3PY 0.00004 0.00028 -0.00014 -0.00005 -0.00012 114 3PZ 0.00007 0.00036 0.00007 -0.00008 0.00028 115 4XX 0.00001 -0.00007 -0.00005 0.00000 -0.00000 116 4YY -0.00000 0.00003 0.00002 0.00000 -0.00001 117 4ZZ 0.00002 0.00004 0.00003 0.00000 0.00001 118 4XY 0.00006 -0.00002 0.00003 -0.00004 -0.00003 119 4XZ -0.00002 0.00002 -0.00000 0.00000 0.00003 120 4YZ -0.00001 -0.00003 -0.00002 -0.00001 0.00002 121 9 C 1S 0.00001 -0.00041 -0.00032 -0.00002 0.00000 122 2S -0.00012 0.00055 0.00047 0.00019 -0.00034 123 2PX 0.00020 -0.00131 -0.00097 0.00001 0.00053 124 2PY -0.00042 0.00119 0.00085 0.00020 -0.00014 125 2PZ 0.00020 -0.00125 -0.00089 -0.00030 0.00036 126 3S -0.00002 0.00181 0.00029 0.00072 -0.00011 127 3PX 0.00018 -0.00082 -0.00053 0.00009 -0.00011 128 3PY 0.00006 0.00054 0.00050 0.00021 -0.00017 129 3PZ 0.00008 -0.00126 -0.00005 -0.00047 0.00016 130 4XX 0.00001 -0.00010 -0.00009 0.00001 0.00003 131 4YY 0.00001 -0.00002 -0.00000 0.00000 -0.00000 132 4ZZ -0.00001 0.00007 0.00004 -0.00001 -0.00002 133 4XY -0.00000 0.00006 0.00005 -0.00001 -0.00005 134 4XZ -0.00001 0.00001 0.00001 0.00000 0.00002 135 4YZ -0.00001 -0.00007 -0.00007 0.00001 0.00002 136 10 C 1S -0.00016 0.00077 0.00079 -0.00011 0.00003 137 2S 0.00010 -0.00172 -0.00136 -0.00003 0.00012 138 2PX -0.00068 0.00472 0.00481 -0.00152 -0.00035 139 2PY -0.00000 -0.00227 -0.00228 0.00067 0.00002 140 2PZ 0.00007 -0.00029 -0.00023 0.00096 0.00012 141 3S -0.00117 -0.00310 -0.00207 -0.00108 0.00019 142 3PX -0.00037 0.00271 0.00186 0.00005 -0.00024 143 3PY -0.00057 0.00019 -0.00187 0.00005 0.00137 144 3PZ -0.00026 -0.00062 -0.00033 0.00007 0.00020 145 4XX 0.00019 -0.00018 -0.00019 0.00014 -0.00024 146 4YY -0.00010 0.00014 0.00008 0.00003 -0.00003 147 4ZZ -0.00007 0.00016 0.00017 -0.00011 0.00015 148 4XY 0.00010 -0.00006 0.00021 -0.00029 0.00009 149 4XZ -0.00000 0.00009 0.00003 0.00005 -0.00006 150 4YZ -0.00005 -0.00002 -0.00009 0.00000 0.00012 151 11 C 1S 0.00027 -0.00006 0.00008 0.00014 -0.00006 152 2S -0.00043 0.00015 -0.00011 -0.00038 0.00003 153 2PX 0.00105 -0.00022 -0.00026 0.00133 0.00011 154 2PY -0.00111 0.00014 -0.00114 0.00040 0.00039 155 2PZ 0.00123 0.00002 0.00104 -0.00021 0.00004 156 3S -0.00009 -0.00078 -0.00018 -0.00078 -0.00064 157 3PX 0.00027 0.00020 -0.00078 0.00063 0.00042 158 3PY -0.00105 0.00020 -0.00093 0.00050 0.00011 159 3PZ 0.00104 -0.00011 0.00114 -0.00006 -0.00026 160 4XX 0.00005 -0.00013 -0.00007 0.00005 -0.00001 161 4YY -0.00002 0.00009 0.00007 -0.00003 -0.00002 162 4ZZ -0.00004 0.00005 -0.00004 0.00001 0.00004 163 4XY 0.00002 -0.00001 0.00001 -0.00005 0.00002 164 4XZ -0.00005 0.00007 0.00002 -0.00004 0.00001 165 4YZ 0.00009 -0.00003 0.00002 0.00002 0.00003 166 12 H 1S -0.00116 0.00028 -0.00031 -0.00032 0.00001 167 2S -0.00043 0.00066 0.00066 -0.00029 0.00011 168 13 H 1S 0.00025 0.00017 0.00009 0.00000 0.00027 169 2S 0.00027 0.00029 0.00014 -0.00001 0.00037 170 14 C 1S -0.00011 0.00014 0.00006 -0.00016 0.00001 171 2S 0.00024 -0.00022 -0.00015 0.00025 -0.00001 172 2PX -0.00056 0.00056 0.00035 -0.00077 0.00006 173 2PY 0.00038 -0.00023 -0.00007 0.00021 -0.00004 174 2PZ 0.00003 -0.00007 -0.00018 0.00021 -0.00000 175 3S 0.00045 -0.00052 0.00039 0.00056 -0.00039 176 3PX -0.00021 0.00034 0.00020 -0.00050 0.00006 177 3PY 0.00020 -0.00027 -0.00005 0.00017 0.00006 178 3PZ 0.00008 -0.00007 0.00016 0.00011 -0.00006 179 4XX -0.00001 0.00002 0.00002 -0.00002 -0.00000 180 4YY -0.00002 0.00000 -0.00002 -0.00000 0.00001 181 4ZZ 0.00001 -0.00000 0.00001 -0.00000 0.00000 182 4XY 0.00002 0.00002 0.00006 -0.00004 -0.00001 183 4XZ -0.00004 -0.00000 -0.00003 -0.00000 0.00001 184 4YZ 0.00003 -0.00002 -0.00001 0.00003 0.00001 185 15 H 1S 0.00006 0.00012 0.00024 -0.00025 -0.00004 186 2S 0.00004 0.00025 0.00038 -0.00038 -0.00010 187 16 H 1S 0.00008 -0.00006 0.00004 0.00005 0.00002 188 2S 0.00007 0.00003 0.00012 -0.00000 0.00012 189 17 C 1S 0.00010 -0.00001 0.00008 -0.00000 -0.00002 190 2S -0.00015 -0.00001 -0.00014 -0.00006 -0.00001 191 2PX 0.00031 -0.00003 0.00014 0.00013 -0.00002 192 2PY -0.00026 0.00007 -0.00009 -0.00013 0.00003 193 2PZ 0.00023 -0.00007 0.00010 -0.00000 -0.00011 194 3S -0.00042 -0.00012 -0.00058 0.00003 0.00007 195 3PX 0.00018 0.00005 0.00017 0.00002 -0.00002 196 3PY -0.00030 0.00015 -0.00021 -0.00008 0.00006 197 3PZ 0.00018 -0.00003 0.00019 0.00000 -0.00020 198 4XX 0.00003 -0.00003 -0.00001 0.00002 0.00001 199 4YY 0.00001 0.00002 0.00002 -0.00000 -0.00001 200 4ZZ -0.00001 0.00001 0.00001 -0.00001 0.00000 201 4XY -0.00002 0.00000 -0.00000 -0.00002 -0.00000 202 4XZ -0.00001 0.00001 -0.00000 -0.00000 -0.00000 203 4YZ 0.00002 -0.00002 -0.00000 0.00001 -0.00000 204 18 C 1S -0.00002 0.00021 0.00015 -0.00000 -0.00009 205 2S -0.00001 -0.00037 -0.00033 0.00006 0.00010 206 2PX -0.00017 0.00096 0.00070 -0.00009 -0.00032 207 2PY -0.00000 -0.00045 -0.00042 0.00001 0.00014 208 2PZ 0.00002 -0.00000 -0.00004 0.00004 0.00007 209 3S -0.00001 -0.00091 -0.00034 -0.00036 0.00048 210 3PX -0.00009 0.00081 0.00032 0.00005 -0.00021 211 3PY -0.00010 -0.00020 -0.00019 -0.00012 0.00021 212 3PZ 0.00002 -0.00012 -0.00006 0.00000 0.00021 213 4XX 0.00001 0.00000 0.00002 0.00001 -0.00002 214 4YY -0.00001 0.00003 0.00002 0.00000 -0.00001 215 4ZZ 0.00000 -0.00001 -0.00001 -0.00001 0.00001 216 4XY 0.00001 -0.00004 -0.00003 -0.00001 0.00001 217 4XZ -0.00001 0.00007 0.00005 0.00000 -0.00002 218 4YZ 0.00001 -0.00006 -0.00004 0.00000 0.00001 219 19 H 1S 0.00002 -0.00017 -0.00007 -0.00002 0.00005 220 2S -0.00004 -0.00010 -0.00002 -0.00003 0.00009 221 20 H 1S -0.00011 0.00050 0.00033 0.00004 -0.00012 222 2S -0.00021 0.00085 0.00048 0.00011 -0.00025 223 21 H 1S 0.00002 -0.00002 -0.00000 -0.00005 -0.00005 224 2S 0.00008 -0.00005 0.00005 -0.00003 0.00001 225 22 H 1S 0.00019 -0.00012 -0.00004 0.00015 0.00003 226 2S 0.00027 -0.00023 -0.00004 0.00021 0.00002 227 23 H 1S -0.00024 0.00031 0.00007 -0.00069 0.00072 228 2S -0.00073 0.00164 0.00042 -0.00065 0.00169 229 24 H 1S -0.00009 -0.00017 -0.00013 0.00000 0.00002 230 2S -0.00013 -0.00013 -0.00025 -0.00002 -0.00002 231 25 H 1S -0.00012 -0.00001 0.00001 0.00003 0.00012 232 2S -0.00026 0.00026 -0.00011 0.00007 0.00009 233 26 H 1S 0.00006 0.00021 0.00019 0.00002 0.00013 234 2S 0.00005 0.00022 0.00022 0.00007 -0.00000 235 27 H 1S 0.00101 -0.00037 0.00050 -0.00052 -0.00072 236 2S 0.00156 -0.00066 0.00122 -0.00110 -0.00086 237 28 Br 1S 0.00051 -0.00001 0.00006 -0.00002 -0.00001 238 2S -0.00239 0.00002 -0.00021 0.00010 0.00004 239 3S 0.00149 -0.00000 -0.00000 -0.00003 0.00000 240 4S 0.00218 -0.00001 -0.00005 -0.00002 -0.00004 241 5S 0.00016 -0.00047 0.00064 0.00004 -0.00061 242 6S 0.00050 0.00084 -0.00018 -0.00046 0.00142 243 7PX -0.00009 0.00018 0.00012 -0.00005 0.00016 244 7PY 0.00114 -0.00067 0.00032 -0.00018 0.00002 245 7PZ 0.00011 0.00042 0.00015 -0.00008 0.00024 246 8PX 0.00004 -0.00019 -0.00013 0.00011 -0.00034 247 8PY -0.00138 0.00053 -0.00114 0.00025 -0.00040 248 8PZ 0.00007 -0.00082 -0.00029 0.00029 -0.00053 249 9PX -0.00000 0.00026 0.00020 -0.00020 0.00061 250 9PY 0.00180 -0.00054 0.00222 -0.00037 0.00078 251 9PZ -0.00028 0.00143 0.00051 -0.00057 0.00098 252 10PX -0.00004 0.00011 0.00008 -0.00006 0.00037 253 10PY 0.00128 0.00008 0.00167 -0.00042 0.00126 254 10PZ -0.00006 0.00101 0.00049 -0.00061 0.00079 255 11XX -0.00097 0.00019 -0.00008 0.00007 -0.00001 256 11YY -0.00102 -0.00018 -0.00003 0.00004 0.00002 257 11ZZ -0.00089 0.00000 -0.00004 -0.00002 -0.00000 258 11XY -0.00002 0.00001 -0.00003 0.00004 -0.00002 259 11XZ 0.00000 -0.00000 -0.00000 0.00002 -0.00002 260 11YZ -0.00004 0.00004 -0.00000 -0.00008 0.00005 261 12XX -0.00039 -0.00021 0.00015 0.00004 -0.00031 262 12YY -0.00013 -0.00019 0.00003 0.00005 -0.00024 263 12ZZ -0.00049 0.00000 0.00011 0.00016 -0.00016 264 12XY 0.00006 -0.00003 0.00001 -0.00002 -0.00006 265 12XZ 0.00001 0.00002 -0.00001 0.00000 0.00001 266 12YZ 0.00000 -0.00015 0.00000 0.00019 -0.00012 267 29 C 1S 0.00048 -0.00166 -0.00007 -0.00051 -0.00090 268 2S -0.00145 0.00291 0.00014 0.00105 0.00177 269 2PX 0.00090 -0.00205 -0.00024 -0.00085 -0.00082 270 2PY 0.00261 -0.00326 0.00006 -0.00099 -0.00019 271 2PZ 0.00443 -0.00818 -0.00066 -0.00296 -0.00386 272 3S -0.00207 0.00477 -0.00033 0.00094 0.00491 273 3PX 0.00015 -0.00093 -0.00072 -0.00058 -0.00036 274 3PY 0.00128 -0.00204 0.00003 -0.00004 -0.00134 275 3PZ 0.00220 -0.00433 -0.00003 -0.00070 -0.00328 276 4XX 0.00009 -0.00011 -0.00000 -0.00011 0.00006 277 4YY 0.00015 -0.00004 0.00013 -0.00019 0.00010 278 4ZZ -0.00013 0.00001 -0.00020 0.00032 -0.00039 279 4XY 0.00003 0.00019 0.00011 -0.00003 -0.00001 280 4XZ -0.00002 0.00006 0.00001 0.00002 -0.00026 281 4YZ -0.00016 0.00039 -0.00004 0.00014 0.00018 282 30 H 1S 0.00050 -0.00018 -0.00020 -0.00022 0.00116 283 2S 0.00068 -0.00097 -0.00081 -0.00101 0.00148 284 31 H 1S 0.00087 -0.00249 -0.00057 -0.00047 -0.00219 285 2S 0.00078 -0.00279 -0.00078 0.00004 -0.00333 286 32 H 1S 0.00083 -0.00016 0.00053 -0.00054 0.00080 287 2S 0.00151 -0.00069 0.00125 -0.00123 0.00021 288 33 H 1S -0.00047 0.00956 -0.00059 -0.00190 0.01388 289 2S -0.00070 0.00928 -0.00148 -0.00176 0.01211 290 34 H 1S 0.00838 -0.00740 0.01381 -0.00280 -0.00375 291 2S 0.00689 -0.00596 0.01107 -0.00256 -0.00392 292 35 H 1S 0.00162 0.00306 -0.00482 -0.00437 0.00470 293 2S 0.00197 0.00457 -0.00325 -0.00322 0.00551 294 36 H 1S 0.00044 -0.00093 -0.00426 0.00622 -0.00326 295 2S 0.00073 0.00025 -0.00281 0.00596 -0.00352 296 37 H 1S 0.00119 0.00024 -0.00008 -0.00004 0.00053 297 2S 0.00122 0.00125 -0.00097 -0.00040 0.00163 298 38 H 1S -0.00057 -0.00004 -0.00199 0.00029 0.00049 299 2S -0.00110 -0.00032 -0.00266 0.00015 0.00071 300 39 H 1S 0.00035 0.00007 -0.00054 0.00040 -0.00011 301 2S 0.00054 0.00022 -0.00070 0.00030 0.00009 302 40 H 1S 0.00001 0.00006 0.00092 -0.00058 -0.00031 303 2S 0.00021 0.00009 0.00176 -0.00141 -0.00053 61 62 63 64 65 61 5 C 1S 2.05307 62 2S -0.05262 0.31333 63 2PX -0.00675 0.01231 0.39916 64 2PY -0.00535 0.01143 -0.02745 0.37963 65 2PZ 0.00581 -0.01213 0.00384 -0.00426 0.38808 66 3S -0.22666 0.31164 0.05168 0.03075 -0.02671 67 3PX -0.00132 0.00796 0.15514 -0.02404 0.00200 68 3PY 0.00627 0.00388 -0.03096 0.13086 0.00211 69 3PZ -0.00013 -0.00456 0.00519 0.00622 0.16124 70 4XX -0.01412 -0.00554 0.00518 -0.00707 -0.00622 71 4YY -0.01350 -0.00674 -0.00445 -0.00521 0.00046 72 4ZZ -0.01381 -0.00569 -0.00130 0.01238 0.00755 73 4XY 0.00055 -0.00104 -0.01161 -0.00971 0.00824 74 4XZ 0.00009 -0.00002 -0.00410 0.00886 -0.00717 75 4YZ 0.00011 -0.00017 0.00900 0.00474 0.00822 76 6 C 1S 0.01217 -0.02199 0.04562 0.05930 -0.01627 77 2S -0.02333 0.03685 -0.09536 -0.12339 0.03177 78 2PX -0.03823 0.07537 -0.11415 -0.15812 0.06809 79 2PY -0.04192 0.08470 -0.14540 -0.15676 0.09833 80 2PZ 0.02087 -0.04376 0.07771 0.11269 0.05382 81 3S 0.01534 -0.00449 -0.12039 -0.17272 0.03580 82 3PX 0.00663 0.01406 -0.02262 -0.09249 0.02864 83 3PY 0.00564 0.00553 -0.07925 -0.03366 0.03517 84 3PZ -0.00232 -0.00938 0.03454 0.05253 0.04166 85 4XX -0.00088 0.00077 0.01196 -0.00421 0.00095 86 4YY -0.00186 0.00288 -0.00581 0.01111 0.00325 87 4ZZ 0.00078 -0.00190 0.00130 0.00350 -0.00615 88 4XY -0.00485 0.00908 -0.00341 -0.00653 0.00733 89 4XZ 0.00193 -0.00372 0.00032 0.00711 0.00556 90 4YZ 0.00198 -0.00348 0.00582 0.00233 0.00941 91 7 C 1S -0.00274 0.00605 -0.00311 -0.01402 0.00667 92 2S 0.00603 -0.01325 0.00929 0.03591 -0.01596 93 2PX 0.00132 0.00026 0.00516 -0.00766 0.00116 94 2PY 0.01138 -0.02842 0.01244 0.05397 -0.02985 95 2PZ -0.00484 0.00914 -0.00805 -0.02682 -0.00599 96 3S 0.00568 -0.01291 -0.01190 0.07658 -0.03563 97 3PX -0.00406 -0.00108 0.00723 -0.02319 0.00376 98 3PY 0.00667 -0.01599 -0.00424 0.05045 -0.02446 99 3PZ -0.00064 0.00311 0.00466 -0.01543 -0.01296 100 4XX 0.00048 -0.00076 0.00216 0.00329 -0.00120 101 4YY -0.00108 0.00148 -0.00310 -0.00526 0.00252 102 4ZZ -0.00032 0.00070 -0.00050 0.00014 0.00155 103 4XY -0.00117 0.00225 -0.00326 -0.00550 0.00240 104 4XZ 0.00041 -0.00089 0.00138 0.00285 -0.00021 105 4YZ 0.00043 -0.00059 0.00147 0.00352 0.00144 106 8 C 1S -0.00158 0.00294 0.00117 -0.00609 0.00128 107 2S 0.00285 -0.00608 -0.00232 0.01095 -0.00364 108 2PX -0.00297 0.00465 -0.01487 -0.01450 0.01076 109 2PY 0.00463 -0.00782 -0.01163 0.01455 -0.00410 110 2PZ -0.00278 0.00491 0.00699 -0.00911 0.00221 111 3S 0.00667 -0.00725 -0.00239 0.02889 -0.00428 112 3PX -0.00251 0.00173 -0.00910 -0.01500 0.00293 113 3PY 0.00149 -0.00248 -0.01129 0.00613 0.00108 114 3PZ -0.00237 0.00255 -0.00013 -0.00677 0.00538 115 4XX -0.00010 0.00056 0.00154 -0.00027 -0.00061 116 4YY -0.00009 -0.00031 -0.00149 -0.00040 0.00009 117 4ZZ -0.00012 0.00011 -0.00021 0.00003 0.00022 118 4XY -0.00012 0.00041 -0.00094 -0.00111 0.00053 119 4XZ 0.00021 -0.00040 0.00023 0.00084 0.00021 120 4YZ -0.00007 0.00022 0.00039 -0.00005 0.00019 121 9 C 1S -0.00227 0.00448 0.00991 -0.00468 0.00141 122 2S 0.00420 -0.00875 -0.02212 0.01030 -0.00376 123 2PX -0.00824 0.02056 0.03790 -0.01621 -0.00317 124 2PY 0.00826 -0.02002 -0.03283 0.01650 -0.00169 125 2PZ -0.00249 0.00779 0.01791 -0.01602 -0.00028 126 3S 0.00340 -0.00902 -0.04150 0.02248 -0.01757 127 3PX -0.00564 0.01190 0.01718 -0.00907 -0.00949 128 3PY 0.00610 -0.01120 -0.01910 0.00710 -0.00736 129 3PZ 0.00097 0.00328 0.02189 -0.01677 0.00754 130 4XX -0.00119 0.00218 0.00558 -0.00229 -0.00091 131 4YY -0.00047 0.00057 0.00123 -0.00065 -0.00031 132 4ZZ 0.00068 -0.00161 -0.00447 0.00202 0.00073 133 4XY 0.00113 -0.00208 -0.00575 0.00249 0.00039 134 4XZ 0.00006 -0.00045 0.00032 -0.00033 -0.00023 135 4YZ -0.00020 0.00066 0.00126 -0.00009 -0.00023 136 10 C 1S 0.01044 -0.01838 -0.05321 0.02145 0.01648 137 2S -0.02007 0.02988 0.10540 -0.04291 -0.03298 138 2PX 0.05536 -0.11204 -0.24332 0.10210 0.08018 139 2PY -0.02506 0.05254 0.11656 -0.03172 -0.03661 140 2PZ -0.02185 0.04374 0.09698 -0.03844 -0.01613 141 3S 0.01191 0.00097 0.11133 -0.04398 -0.02976 142 3PX 0.00540 -0.02717 -0.09866 0.05477 0.04222 143 3PY -0.00490 0.01458 0.04792 -0.00613 -0.01286 144 3PZ -0.00319 0.01161 0.04399 -0.02157 -0.00863 145 4XX -0.00464 0.00880 0.00472 -0.00715 -0.00618 146 4YY 0.00113 -0.00279 -0.00542 0.00644 0.00171 147 4ZZ 0.00173 -0.00397 -0.00528 0.00303 0.00621 148 4XY 0.00337 -0.00664 -0.00756 -0.00400 0.00393 149 4XZ 0.00251 -0.00491 -0.00741 0.00458 -0.00467 150 4YZ -0.00097 0.00184 0.00447 0.00111 0.00304 151 11 C 1S -0.00265 0.00520 0.00861 0.00123 -0.00283 152 2S 0.00505 -0.00971 -0.01899 -0.00178 0.00669 153 2PX -0.01260 0.02706 0.04145 -0.00457 -0.01532 154 2PY -0.00177 0.00734 0.01345 0.00039 -0.00522 155 2PZ 0.00488 -0.00928 -0.01841 0.00094 -0.00135 156 3S 0.00678 -0.01329 -0.03152 -0.02725 0.00276 157 3PX -0.00665 0.01486 0.02320 -0.00406 -0.01001 158 3PY -0.00084 0.00458 0.01199 0.01479 -0.00257 159 3PZ 0.00266 -0.00472 -0.01129 0.00052 -0.00440 160 4XX -0.00159 0.00285 0.00690 -0.00148 -0.00244 161 4YY 0.00083 -0.00172 -0.00482 0.00132 0.00143 162 4ZZ -0.00008 0.00012 -0.00018 -0.00000 0.00025 163 4XY 0.00032 -0.00099 -0.00078 0.00003 0.00023 164 4XZ 0.00089 -0.00162 -0.00423 0.00106 0.00112 165 4YZ -0.00018 0.00054 0.00065 -0.00005 -0.00002 166 12 H 1S 0.00387 -0.00684 -0.01246 0.00094 0.00723 167 2S 0.00304 -0.00698 -0.01749 0.00230 0.00776 168 13 H 1S 0.00326 -0.00440 -0.01229 0.00014 0.00053 169 2S 0.00248 -0.00456 -0.01457 0.00311 0.00437 170 14 C 1S 0.00180 -0.00430 -0.00805 0.00183 0.00283 171 2S -0.00479 0.00863 0.01811 -0.00573 -0.00594 172 2PX 0.01067 -0.02068 -0.03960 0.01123 0.01223 173 2PY -0.00247 0.00621 0.00975 -0.00057 -0.00224 174 2PZ -0.00303 0.00560 0.01123 -0.00202 -0.00174 175 3S -0.00435 0.01230 0.03053 0.00386 -0.01187 176 3PX 0.00541 -0.01262 -0.02670 0.00223 0.00786 177 3PY -0.00334 0.00521 0.01549 -0.00080 -0.00286 178 3PZ -0.00087 0.00225 0.00540 0.00252 0.00109 179 4XX 0.00027 -0.00060 -0.00137 0.00040 0.00079 180 4YY -0.00012 -0.00006 0.00012 0.00001 0.00002 181 4ZZ -0.00004 -0.00009 0.00000 -0.00025 -0.00023 182 4XY 0.00048 -0.00103 -0.00226 0.00056 0.00069 183 4XZ -0.00010 0.00014 0.00060 -0.00020 -0.00007 184 4YZ -0.00028 0.00057 0.00115 -0.00029 -0.00054 185 15 H 1S 0.00319 -0.00584 -0.01302 0.00403 0.00436 186 2S 0.00521 -0.00953 -0.02423 0.00547 0.00819 187 16 H 1S -0.00082 0.00119 0.00355 -0.00183 -0.00287 188 2S 0.00025 -0.00086 -0.00002 0.00062 0.00056 189 17 C 1S 0.00022 -0.00028 -0.00121 0.00056 -0.00017 190 2S 0.00009 -0.00007 0.00073 -0.00093 0.00054 191 2PX 0.00007 0.00168 -0.00048 0.00129 -0.00030 192 2PY 0.00084 -0.00149 -0.00080 0.00062 0.00080 193 2PZ -0.00005 0.00020 -0.00128 0.00016 -0.00022 194 3S -0.00355 0.00331 0.01079 -0.00459 -0.00158 195 3PX 0.00083 0.00011 -0.00284 0.00198 0.00134 196 3PY 0.00118 -0.00153 -0.00296 0.00133 0.00095 197 3PZ 0.00080 -0.00056 -0.00480 0.00138 -0.00015 198 4XX -0.00046 0.00085 0.00157 -0.00054 -0.00045 199 4YY 0.00022 -0.00038 -0.00079 0.00025 0.00011 200 4ZZ 0.00021 -0.00037 -0.00068 0.00019 0.00015 201 4XY 0.00015 -0.00038 -0.00064 0.00012 0.00025 202 4XZ -0.00003 -0.00009 -0.00008 0.00000 -0.00002 203 4YZ -0.00013 0.00030 0.00045 -0.00020 -0.00016 204 18 C 1S 0.00144 -0.00403 -0.00852 0.00348 0.00111 205 2S -0.00437 0.00814 0.01842 -0.00677 -0.00385 206 2PX 0.00859 -0.01960 -0.04024 0.01522 0.00714 207 2PY -0.00422 0.00897 0.01735 -0.00617 -0.00194 208 2PZ -0.00084 0.00297 0.00636 -0.00093 0.00161 209 3S -0.00085 0.00945 0.03891 -0.01987 0.00379 210 3PX 0.00385 -0.01131 -0.03129 0.01281 0.00160 211 3PY -0.00028 0.00300 0.00877 -0.00252 0.00390 212 3PZ -0.00200 0.00293 0.01258 -0.00387 0.00201 213 4XX 0.00002 0.00005 -0.00025 0.00031 -0.00001 214 4YY 0.00016 -0.00061 -0.00112 0.00049 -0.00007 215 4ZZ -0.00014 -0.00013 0.00007 -0.00014 0.00004 216 4XY -0.00030 0.00046 0.00110 -0.00079 -0.00018 217 4XZ 0.00042 -0.00099 -0.00215 0.00123 0.00030 218 4YZ -0.00030 0.00069 0.00170 -0.00081 -0.00052 219 19 H 1S -0.00068 0.00079 0.00393 -0.00272 -0.00219 220 2S 0.00035 -0.00157 -0.00023 0.00045 0.00050 221 20 H 1S 0.00310 -0.00679 -0.01413 0.00710 0.00303 222 2S 0.00529 -0.01065 -0.02688 0.01460 0.00415 223 21 H 1S 0.00043 -0.00047 -0.00155 0.00028 0.00029 224 2S 0.00044 -0.00071 -0.00078 -0.00026 -0.00040 225 22 H 1S -0.00148 0.00385 0.00585 -0.00153 -0.00158 226 2S -0.00227 0.00604 0.01072 -0.00254 -0.00311 227 23 H 1S 0.00863 -0.02153 -0.02497 0.01627 0.01923 228 2S 0.01244 -0.02637 -0.04309 0.03928 0.04604 229 24 H 1S 0.00321 -0.00573 -0.01174 0.00348 -0.00259 230 2S 0.00220 -0.00628 -0.01709 0.00817 0.00154 231 25 H 1S -0.00073 -0.00024 -0.00127 -0.00231 0.00093 232 2S -0.00011 -0.00165 -0.00918 -0.00150 0.00025 233 26 H 1S -0.00073 0.00081 0.00213 -0.00092 0.00130 234 2S -0.00077 0.00128 0.00108 0.00100 0.00040 235 27 H 1S -0.00572 0.01128 -0.01615 -0.02963 0.00600 236 2S -0.00640 0.01039 -0.02579 -0.05015 0.01347 237 28 Br 1S -0.00008 0.00012 -0.00063 -0.00108 -0.00163 238 2S 0.00055 -0.00078 0.00368 0.00651 0.00957 239 3S -0.00067 0.00088 -0.00364 -0.00704 -0.00982 240 4S -0.00139 0.00164 -0.00659 -0.01146 -0.01628 241 5S 0.00070 0.00054 0.00530 0.00986 0.01005 242 6S 0.00176 -0.00430 0.00421 0.00264 0.01380 243 7PX 0.00042 -0.00086 0.00057 0.00132 0.00013 244 7PY 0.00195 -0.00115 0.00340 0.00570 0.00645 245 7PZ -0.00028 -0.00040 -0.00088 -0.00003 0.00471 246 8PX -0.00123 0.00184 -0.00178 -0.00466 -0.00058 247 8PY -0.00495 0.00579 -0.01044 -0.02158 -0.02351 248 8PZ 0.00073 -0.00162 0.00226 -0.00198 -0.01503 249 9PX 0.00218 -0.00322 0.00367 0.00885 0.00151 250 9PY 0.00868 -0.01158 0.01946 0.04254 0.04593 251 9PZ -0.00137 0.00385 -0.00386 0.00498 0.02885 252 10PX 0.00179 -0.00291 0.00420 0.00926 -0.00256 253 10PY 0.00683 -0.00924 0.01869 0.03917 0.04581 254 10PZ -0.00149 0.00300 -0.00303 -0.00041 0.02628 255 11XX 0.00023 -0.00020 0.00153 0.00326 0.00380 256 11YY 0.00060 -0.00093 0.00281 0.00607 0.00645 257 11ZZ 0.00002 -0.00003 0.00089 0.00069 0.00426 258 11XY 0.00010 -0.00071 0.00070 0.00092 -0.00025 259 11XZ -0.00002 -0.00023 0.00011 0.00002 -0.00027 260 11YZ -0.00039 0.00057 -0.00053 -0.00136 0.00218 261 12XX -0.00010 0.00064 0.00072 0.00285 0.00309 262 12YY -0.00052 0.00047 -0.00137 -0.00229 -0.00234 263 12ZZ 0.00012 -0.00008 0.00290 0.00898 0.00400 264 12XY -0.00033 0.00029 -0.00217 -0.00215 -0.00050 265 12XZ 0.00009 0.00011 -0.00017 0.00075 -0.00022 266 12YZ 0.00109 -0.00268 0.00241 0.00662 -0.00345 267 29 C 1S 0.00975 -0.01467 -0.00790 -0.03463 -0.04675 268 2S -0.01782 0.02621 0.01501 0.06794 0.09030 269 2PX 0.00673 -0.01357 0.00728 -0.02145 -0.02742 270 2PY 0.03385 -0.07009 -0.02255 -0.09766 -0.14128 271 2PZ 0.04749 -0.09759 -0.02920 -0.14996 -0.19873 272 3S 0.01034 -0.00430 0.02468 0.08655 0.11162 273 3PX 0.00188 -0.00424 0.00028 -0.01457 -0.01915 274 3PY 0.00401 -0.01601 -0.01310 -0.05230 -0.07311 275 3PZ 0.00677 -0.02243 -0.01421 -0.07557 -0.09296 276 4XX 0.00204 -0.00441 -0.00183 -0.00487 -0.00544 277 4YY -0.00041 0.00039 -0.00013 -0.00755 0.00411 278 4ZZ -0.00371 0.00653 0.00069 0.00846 -0.00407 279 4XY -0.00056 0.00097 -0.00652 0.00040 0.00449 280 4XZ -0.00065 0.00134 -0.00800 0.00351 0.00117 281 4YZ -0.00440 0.00843 0.00328 0.00220 0.00962 282 30 H 1S 0.00685 -0.01834 0.01300 -0.02536 -0.02580 283 2S 0.00872 -0.01884 0.03477 -0.04759 -0.04254 284 31 H 1S 0.00690 -0.01791 -0.01005 -0.00595 -0.04065 285 2S 0.00743 -0.01675 -0.02451 0.00397 -0.07136 286 32 H 1S 0.00765 -0.01972 -0.01286 -0.02171 -0.00786 287 2S 0.01115 -0.02430 -0.03179 -0.04292 -0.00999 288 33 H 1S 0.00803 -0.02153 0.01033 -0.00708 0.03272 289 2S 0.01074 -0.02467 0.01932 -0.00321 0.06718 290 34 H 1S 0.00848 -0.01988 0.00505 -0.02676 0.01777 291 2S 0.01250 -0.02415 -0.00238 -0.05478 0.02956 292 35 H 1S 0.00261 -0.00396 0.00521 -0.00988 0.00333 293 2S 0.00180 -0.00344 0.00726 -0.00881 0.01054 294 36 H 1S -0.00773 0.01610 -0.01812 0.02442 -0.02264 295 2S -0.00755 0.01739 -0.03162 0.03696 -0.02851 296 37 H 1S 0.00064 0.00227 -0.00214 -0.00063 -0.00209 297 2S 0.00096 0.00223 -0.00223 0.00057 0.00106 298 38 H 1S -0.00072 -0.00056 -0.00169 -0.00148 -0.00191 299 2S -0.00066 -0.00180 0.00044 -0.00412 -0.00382 300 39 H 1S 0.00149 0.00005 0.00283 -0.00176 -0.01858 301 2S -0.00001 0.00197 0.00181 -0.00119 -0.01845 302 40 H 1S -0.00646 0.01128 -0.02284 -0.02069 0.01491 303 2S -0.00651 0.01190 -0.03933 -0.03337 0.02484 66 67 68 69 70 66 3S 0.37946 67 3PX 0.02415 0.07498 68 3PY -0.00458 -0.01408 0.06310 69 3PZ -0.00672 0.00213 0.00022 0.08119 70 4XX -0.00452 0.00166 -0.00180 -0.00212 0.00112 71 4YY -0.00647 -0.00133 -0.00100 0.00005 -0.00001 72 4ZZ -0.00469 -0.00085 0.00280 0.00276 -0.00046 73 4XY -0.00365 -0.00289 -0.00170 0.00257 -0.00008 74 4XZ 0.00101 -0.00120 0.00223 -0.00219 -0.00007 75 4YZ 0.00057 0.00175 0.00117 0.00270 -0.00010 76 6 C 1S 0.00456 0.01084 0.00250 -0.00817 -0.00123 77 2S 0.00451 -0.02250 -0.02082 0.01228 0.00185 78 2PX 0.06056 -0.02359 -0.05731 0.02243 -0.00869 79 2PY 0.04888 -0.05361 -0.03819 0.02779 0.00258 80 2PZ -0.02545 0.03124 0.02039 0.02034 -0.00272 81 3S -0.05941 -0.02444 -0.02093 0.00508 0.00394 82 3PX -0.00497 0.00313 -0.02691 0.00507 -0.00250 83 3PY -0.01410 -0.02310 -0.00083 0.00854 0.00043 84 3PZ 0.00483 0.00948 0.00269 0.01476 -0.00204 85 4XX 0.00243 0.00435 -0.00220 0.00072 0.00034 86 4YY 0.00329 -0.00277 0.00396 0.00156 -0.00057 87 4ZZ -0.00178 0.00013 0.00048 -0.00316 0.00000 88 4XY 0.01038 -0.00169 -0.00323 0.00363 -0.00016 89 4XZ -0.00301 0.00014 0.00212 0.00351 -0.00025 90 4YZ -0.00515 0.00159 0.00184 0.00357 0.00002 91 7 C 1S 0.00126 -0.00544 -0.00069 0.00365 0.00087 92 2S -0.01239 0.00740 0.01106 -0.00602 -0.00192 93 2PX -0.03072 0.00729 0.01364 -0.00112 0.00101 94 2PY -0.03342 0.02127 0.02053 -0.00553 -0.00452 95 2PZ 0.01686 0.00143 -0.02219 -0.00599 0.00101 96 3S -0.00604 0.00062 0.02545 -0.01499 -0.00222 97 3PX -0.01859 0.00677 0.00075 -0.00339 0.00056 98 3PY -0.01336 0.00458 0.01673 -0.00447 -0.00215 99 3PZ 0.00210 0.00708 -0.00866 -0.00995 0.00046 100 4XX -0.00046 0.00037 0.00090 0.00008 0.00020 101 4YY 0.00178 -0.00048 -0.00234 0.00089 -0.00016 102 4ZZ 0.00002 -0.00083 0.00101 -0.00013 0.00005 103 4XY 0.00207 -0.00117 -0.00222 0.00111 0.00001 104 4XZ -0.00060 0.00056 0.00144 0.00085 -0.00001 105 4YZ 0.00009 0.00016 0.00083 0.00068 0.00005 106 8 C 1S 0.00510 0.00022 -0.00340 0.00025 -0.00018 107 2S -0.00607 0.00084 0.00543 0.00087 0.00049 108 2PX 0.01926 -0.00544 -0.00986 0.00328 -0.00088 109 2PY -0.03639 0.00781 0.01756 0.00622 0.00037 110 2PZ 0.01883 0.00361 -0.01063 -0.00213 -0.00006 111 3S -0.00228 0.00129 0.01241 0.00539 0.00089 112 3PX 0.00198 0.00056 -0.00385 -0.00198 -0.00036 113 3PY -0.01565 0.00124 0.00747 0.00378 0.00021 114 3PZ 0.00940 -0.00051 -0.00632 0.00320 -0.00012 115 4XX -0.00016 0.00118 0.00050 -0.00087 -0.00001 116 4YY -0.00024 -0.00166 -0.00096 0.00056 -0.00003 117 4ZZ 0.00106 0.00014 -0.00000 -0.00010 0.00001 118 4XY -0.00002 -0.00081 -0.00022 -0.00005 0.00011 119 4XZ -0.00125 -0.00058 0.00037 0.00014 -0.00003 120 4YZ 0.00074 -0.00050 -0.00051 -0.00045 -0.00003 121 9 C 1S 0.00430 0.00726 -0.00147 0.00258 -0.00055 122 2S -0.01089 -0.01087 0.00535 -0.00086 0.00087 123 2PX 0.04374 0.02123 -0.00422 -0.02942 -0.00192 124 2PY -0.03193 -0.03755 -0.00805 0.01252 0.00161 125 2PZ -0.01054 -0.01278 -0.01625 -0.00645 -0.00153 126 3S -0.00528 -0.01754 0.00477 -0.00172 0.00030 127 3PX 0.02019 0.00779 0.00025 -0.01902 -0.00056 128 3PY -0.01665 -0.01412 -0.00335 0.00514 0.00054 129 3PZ -0.00366 -0.00160 -0.01090 -0.00074 -0.00033 130 4XX 0.00260 0.00318 -0.00047 -0.00046 -0.00000 131 4YY 0.00078 0.00052 -0.00024 0.00014 0.00020 132 4ZZ -0.00264 -0.00339 0.00021 -0.00006 -0.00014 133 4XY -0.00340 -0.00264 0.00115 0.00001 -0.00016 134 4XZ -0.00141 -0.00172 -0.00073 0.00041 0.00002 135 4YZ 0.00063 -0.00050 -0.00075 -0.00113 -0.00026 136 10 C 1S 0.00286 -0.00426 0.00418 0.00144 -0.00429 137 2S 0.01502 0.02154 -0.01435 -0.00620 0.00774 138 2PX -0.13419 -0.08439 0.05446 0.04092 0.00036 139 2PY 0.06074 0.06713 -0.00095 -0.01540 0.00710 140 2PZ 0.07089 0.05675 -0.02001 0.01525 0.00498 141 3S -0.01879 0.01168 -0.00960 -0.00428 0.00931 142 3PX -0.02505 -0.02878 0.02249 0.02078 -0.00084 143 3PY 0.01878 0.02484 -0.00149 -0.00350 0.00355 144 3PZ 0.01881 0.02142 -0.00714 0.00129 0.00280 145 4XX 0.01143 0.00354 -0.00308 -0.00325 0.00007 146 4YY -0.00413 -0.00186 0.00356 0.00083 -0.00013 147 4ZZ -0.00541 -0.00368 0.00027 0.00281 -0.00038 148 4XY -0.00945 -0.00350 -0.00058 0.00118 0.00011 149 4XZ -0.00638 -0.00431 0.00185 -0.00249 -0.00012 150 4YZ 0.00126 -0.00026 -0.00006 -0.00059 -0.00034 151 11 C 1S 0.00642 0.00647 0.00229 -0.00282 -0.00120 152 2S -0.01626 -0.00849 -0.00011 0.00569 0.00209 153 2PX 0.07577 0.01580 -0.03303 -0.01975 -0.00584 154 2PY -0.02040 -0.01252 0.00783 -0.00164 -0.00339 155 2PZ -0.03912 -0.01631 0.02039 -0.02442 0.00202 156 3S -0.02137 -0.00994 -0.00469 0.00079 0.00228 157 3PX 0.03810 0.00598 -0.01776 -0.01045 -0.00220 158 3PY -0.00442 -0.00489 0.00787 0.00045 -0.00133 159 3PZ -0.01926 -0.00633 0.01020 -0.01229 0.00054 160 4XX 0.00410 0.00309 -0.00113 -0.00090 0.00009 161 4YY -0.00277 -0.00240 0.00087 0.00062 -0.00006 162 4ZZ -0.00084 -0.00060 0.00032 -0.00001 -0.00006 163 4XY -0.00338 -0.00128 0.00125 -0.00064 0.00027 164 4XZ -0.00337 -0.00252 0.00080 0.00057 -0.00023 165 4YZ 0.00058 -0.00049 -0.00020 -0.00220 -0.00029 166 12 H 1S -0.01942 -0.00656 0.00264 0.02034 -0.00005 167 2S -0.01739 -0.00645 0.00201 0.01924 -0.00077 168 13 H 1S -0.02657 -0.01823 0.00835 -0.01500 -0.00095 169 2S -0.02408 -0.01936 0.00732 -0.01394 -0.00189 170 14 C 1S -0.00789 -0.00249 0.00415 0.00043 0.00025 171 2S 0.02416 0.01133 -0.00940 -0.00357 -0.00052 172 2PX -0.07694 -0.02790 0.03418 0.00820 0.00186 173 2PY 0.00469 -0.00085 -0.00512 0.00042 -0.00053 174 2PZ 0.02157 0.00664 -0.01281 0.00448 -0.00104 175 3S 0.02810 0.01812 -0.00507 -0.00405 -0.00043 176 3PX -0.03979 -0.01682 0.01455 0.00407 0.00096 177 3PY 0.00607 0.00478 -0.00321 -0.00020 -0.00019 178 3PZ 0.00830 0.00219 -0.00464 0.00309 -0.00078 179 4XX -0.00040 -0.00038 -0.00010 0.00078 0.00006 180 4YY -0.00122 -0.00051 0.00033 -0.00004 -0.00004 181 4ZZ -0.00055 -0.00001 0.00044 -0.00044 0.00004 182 4XY -0.00288 -0.00107 0.00139 0.00004 0.00011 183 4XZ -0.00015 0.00023 0.00021 0.00037 -0.00002 184 4YZ 0.00148 0.00038 -0.00049 -0.00100 -0.00006 185 15 H 1S -0.02758 -0.01040 0.01159 0.00254 0.00073 186 2S -0.03145 -0.01381 0.01268 0.00413 0.00084 187 16 H 1S 0.00469 0.00353 0.00143 -0.00651 0.00013 188 2S -0.00338 -0.00145 0.00396 -0.00556 -0.00016 189 17 C 1S -0.00002 -0.00074 0.00067 -0.00118 0.00009 190 2S -0.00418 0.00078 0.00106 0.00440 -0.00012 191 2PX -0.00073 -0.00317 0.00326 -0.00424 -0.00005 192 2PY -0.00691 0.00088 0.00853 0.00531 0.00032 193 2PZ -0.00350 -0.00087 0.00150 0.00374 0.00016 194 3S 0.00477 0.00669 -0.00211 0.00623 0.00009 195 3PX -0.00047 -0.00108 0.00237 -0.00175 -0.00006 196 3PY -0.00480 -0.00081 0.00473 0.00345 0.00030 197 3PZ -0.00097 -0.00117 0.00129 0.00144 0.00014 198 4XX 0.00274 0.00129 -0.00074 -0.00099 -0.00005 199 4YY -0.00114 -0.00085 -0.00012 0.00048 0.00001 200 4ZZ -0.00148 -0.00051 0.00082 0.00013 0.00004 201 4XY -0.00137 -0.00032 0.00059 0.00040 0.00005 202 4XZ 0.00017 0.00009 -0.00012 0.00045 0.00001 203 4YZ 0.00071 0.00026 -0.00010 -0.00023 -0.00002 204 18 C 1S -0.00384 -0.00429 -0.00056 0.00242 -0.00002 205 2S 0.01598 0.01297 -0.00260 -0.00544 0.00000 206 2PX -0.04698 -0.03423 -0.00271 0.02132 0.00033 207 2PY 0.02202 0.01769 0.00115 -0.01153 -0.00057 208 2PZ -0.00411 0.00134 0.00597 -0.00141 -0.00032 209 3S 0.01396 0.02500 -0.00521 0.00063 0.00072 210 3PX -0.02665 -0.02251 0.00198 0.00797 0.00006 211 3PY 0.00616 0.00761 0.00159 -0.00407 -0.00042 212 3PZ 0.00046 0.00515 0.00097 0.00076 -0.00011 213 4XX 0.00041 0.00053 0.00063 -0.00039 -0.00001 214 4YY -0.00111 -0.00094 -0.00004 0.00053 0.00003 215 4ZZ -0.00080 -0.00073 -0.00039 0.00014 -0.00001 216 4XY 0.00031 0.00048 -0.00042 0.00013 0.00000 217 4XZ -0.00172 -0.00126 0.00041 0.00099 0.00003 218 4YZ 0.00138 0.00068 -0.00043 -0.00089 0.00000 219 19 H 1S 0.00450 0.00061 -0.00468 -0.00022 0.00027 220 2S -0.00233 -0.00549 -0.00339 -0.00000 -0.00008 221 20 H 1S -0.01936 -0.01272 0.00206 0.00909 0.00016 222 2S -0.02190 -0.01782 0.00450 0.01030 -0.00006 223 21 H 1S -0.00608 -0.00105 0.00473 0.00412 0.00015 224 2S -0.00577 -0.00224 0.00350 0.00138 0.00008 225 22 H 1S 0.00856 0.00225 -0.00289 -0.00528 -0.00037 226 2S 0.01557 0.00546 -0.00461 -0.00763 -0.00044 227 23 H 1S -0.04675 -0.03979 0.00377 -0.00430 -0.00307 228 2S -0.04892 -0.04272 0.01089 0.00365 -0.00492 229 24 H 1S -0.01760 -0.02590 -0.00920 -0.00525 -0.00081 230 2S -0.01898 -0.02778 -0.00625 -0.00548 -0.00170 231 25 H 1S 0.01419 -0.00835 -0.00841 -0.00109 -0.00038 232 2S 0.00781 -0.01214 -0.00985 0.00072 -0.00072 233 26 H 1S 0.01218 0.00228 -0.00408 -0.00055 0.00007 234 2S 0.00960 0.00209 -0.00143 -0.00209 -0.00010 235 27 H 1S 0.02193 -0.00903 -0.01971 -0.00060 0.00064 236 2S 0.01116 -0.01040 -0.02154 0.00329 0.00060 237 28 Br 1S 0.00823 0.00058 -0.00147 0.00627 0.00026 238 2S -0.03957 -0.00183 0.00747 -0.02929 -0.00119 239 3S 0.02709 -0.00059 -0.00591 0.01853 0.00068 240 4S 0.04082 -0.00180 -0.00862 0.02716 0.00098 241 5S 0.00238 0.00816 0.00593 0.00616 0.00075 242 6S -0.00465 0.00171 -0.00891 0.00341 -0.00059 243 7PX 0.00055 0.00382 -0.00291 -0.00615 0.00027 244 7PY -0.01441 -0.00523 0.01608 0.01391 0.00076 245 7PZ 0.01691 0.00050 -0.00773 0.00762 0.00013 246 8PX 0.01052 -0.00115 -0.00741 0.01933 -0.00033 247 8PY 0.04049 0.00105 -0.02836 -0.01118 -0.00002 248 8PZ -0.01665 0.00591 0.00206 -0.01612 -0.00030 249 9PX -0.02210 -0.00092 0.01873 -0.03567 0.00051 250 9PY -0.07343 0.00366 0.04504 0.00962 -0.00063 251 9PZ 0.01956 -0.01330 0.00341 0.02643 0.00049 252 10PX -0.01614 -0.00051 0.01442 -0.02991 0.00052 253 10PY -0.05808 0.00334 0.03494 0.01015 -0.00070 254 10PZ 0.01511 -0.00872 -0.00105 0.02103 0.00033 255 11XX -0.01851 0.00133 0.00242 -0.01343 -0.00044 256 11YY -0.01451 -0.00175 0.00535 -0.00825 -0.00044 257 11ZZ -0.01623 -0.00049 0.00226 -0.01364 -0.00048 258 11XY 0.00542 0.00200 -0.00267 0.00387 0.00015 259 11XZ 0.00170 0.00037 -0.00164 0.00191 0.00001 260 11YZ 0.00363 -0.00073 -0.00173 0.00138 0.00002 261 12XX -0.00434 0.00063 0.00289 -0.00287 -0.00009 262 12YY -0.00708 0.00069 0.00264 -0.00501 0.00013 263 12ZZ -0.00238 0.00105 0.00557 -0.00131 -0.00002 264 12XY -0.00150 -0.00141 -0.00007 -0.00160 -0.00028 265 12XZ -0.00207 0.00005 0.00182 -0.00187 -0.00002 266 12YZ -0.00405 0.00103 0.00464 -0.00088 -0.00010 267 29 C 1S -0.00876 -0.00044 -0.00317 -0.01029 0.00233 268 2S 0.01217 0.00317 0.01410 0.02508 -0.00488 269 2PX -0.02122 0.02769 -0.01008 -0.01469 0.00183 270 2PY -0.07722 -0.01246 -0.02441 -0.06586 0.00531 271 2PZ -0.10751 -0.00120 -0.05889 -0.08801 0.00680 272 3S -0.01706 0.00156 0.01555 0.02794 -0.00616 273 3PX -0.00762 0.01032 -0.00717 -0.00869 0.00144 274 3PY -0.01154 -0.00355 -0.01460 -0.02919 0.00254 275 3PZ -0.02334 0.00322 -0.02504 -0.03951 0.00343 276 4XX -0.00518 -0.00141 -0.00129 -0.00265 0.00027 277 4YY -0.00030 0.00066 -0.00264 0.00151 0.00005 278 4ZZ 0.00769 0.00061 0.00267 -0.00119 -0.00017 279 4XY -0.00025 -0.00158 0.00086 0.00141 -0.00015 280 4XZ 0.00076 -0.00278 0.00120 0.00063 -0.00022 281 4YZ 0.00939 0.00039 0.00106 0.00432 -0.00025 282 30 H 1S -0.02217 -0.00931 -0.01082 -0.01632 0.00045 283 2S -0.02028 0.00203 -0.01859 -0.01989 0.00242 284 31 H 1S -0.02690 0.00558 -0.01250 -0.02186 0.00001 285 2S -0.02053 -0.00260 -0.00572 -0.02968 0.00061 286 32 H 1S -0.03476 0.00205 -0.00538 -0.01309 0.00045 287 2S -0.04148 -0.00642 -0.00826 -0.01149 0.00106 288 33 H 1S -0.03369 0.00596 -0.02805 0.01611 -0.00190 289 2S -0.03627 0.00453 -0.02138 0.02582 -0.00214 290 34 H 1S -0.04378 0.02210 0.00012 0.01291 -0.00249 291 2S -0.04750 0.01457 -0.00540 0.01498 -0.00128 292 35 H 1S -0.01484 -0.00555 -0.02234 0.00105 0.00011 293 2S -0.01631 -0.00163 -0.02138 0.00299 -0.00054 294 36 H 1S 0.04407 -0.00590 0.02417 -0.02579 -0.00165 295 2S 0.03824 -0.01118 0.02701 -0.02400 -0.00198 296 37 H 1S -0.01577 0.01021 -0.00330 -0.01003 -0.00007 297 2S -0.01707 0.00679 -0.00459 -0.00834 -0.00028 298 38 H 1S 0.01631 -0.00807 -0.00708 -0.00193 0.00142 299 2S 0.01190 -0.00850 -0.00570 -0.00223 0.00222 300 39 H 1S -0.02176 0.00796 0.00618 -0.02836 0.00030 301 2S -0.01773 0.00682 0.00317 -0.02226 -0.00023 302 40 H 1S 0.03968 -0.01535 -0.02479 0.01825 -0.00209 303 2S 0.02683 -0.02026 -0.02411 0.02175 -0.00202 71 72 73 74 75 71 4YY 0.00097 72 4ZZ -0.00020 0.00144 73 4XY 0.00027 -0.00011 0.00141 74 4XZ -0.00011 0.00015 -0.00028 0.00098 75 4YZ -0.00019 0.00034 -0.00024 -0.00016 0.00103 76 6 C 1S -0.00254 0.00206 -0.00597 0.00253 0.00305 77 2S 0.00460 -0.00522 0.01169 -0.00525 -0.00634 78 2PX 0.00775 -0.00394 0.00725 -0.00223 -0.00659 79 2PY -0.00295 -0.00495 0.01147 -0.00588 -0.00204 80 2PZ -0.00209 0.00766 -0.00610 -0.00168 0.00026 81 3S 0.00606 -0.00695 0.01682 -0.00579 -0.00722 82 3PX 0.00372 -0.00263 0.00365 -0.00273 -0.00251 83 3PY -0.00056 -0.00074 0.00469 -0.00159 -0.00238 84 3PZ -0.00199 0.00495 -0.00310 -0.00162 0.00044 85 4XX -0.00026 -0.00017 -0.00025 -0.00028 0.00030 86 4YY 0.00004 0.00045 -0.00016 0.00031 0.00011 87 4ZZ -0.00015 0.00014 -0.00043 0.00033 0.00012 88 4XY -0.00019 -0.00018 0.00038 -0.00022 0.00009 89 4XZ -0.00005 0.00048 -0.00008 0.00008 0.00016 90 4YZ -0.00006 0.00034 -0.00001 -0.00014 0.00061 91 7 C 1S -0.00114 -0.00066 0.00047 -0.00027 0.00059 92 2S 0.00178 0.00150 -0.00091 0.00063 -0.00088 93 2PX -0.00128 -0.00026 0.00070 -0.00087 0.00074 94 2PY 0.00525 0.00227 -0.00189 0.00114 -0.00449 95 2PZ -0.00223 -0.00086 -0.00001 -0.00131 -0.00119 96 3S 0.00042 0.00236 -0.00278 0.00233 -0.00171 97 3PX 0.00026 -0.00055 0.00097 -0.00060 0.00016 98 3PY 0.00183 0.00134 -0.00254 0.00202 -0.00194 99 3PZ -0.00078 -0.00041 0.00020 -0.00048 -0.00066 100 4XX -0.00030 0.00009 -0.00017 0.00003 0.00020 101 4YY 0.00022 -0.00009 0.00030 -0.00024 -0.00037 102 4ZZ -0.00002 -0.00001 0.00008 0.00011 0.00030 103 4XY -0.00011 -0.00016 0.00018 -0.00008 0.00004 104 4XZ 0.00010 0.00007 -0.00005 0.00012 0.00011 105 4YZ -0.00029 0.00024 -0.00018 -0.00005 0.00008 106 8 C 1S 0.00020 -0.00022 -0.00006 -0.00005 0.00006 107 2S -0.00051 0.00025 0.00034 -0.00002 -0.00000 108 2PX 0.00075 -0.00007 0.00154 -0.00061 -0.00087 109 2PY -0.00112 0.00047 0.00051 -0.00015 -0.00013 110 2PZ 0.00078 -0.00063 -0.00053 0.00047 0.00048 111 3S -0.00159 0.00064 0.00095 -0.00044 0.00048 112 3PX 0.00051 -0.00017 0.00152 -0.00053 -0.00094 113 3PY -0.00115 0.00063 0.00103 -0.00065 -0.00007 114 3PZ 0.00075 -0.00037 -0.00025 0.00039 0.00030 115 4XX -0.00010 0.00005 0.00011 -0.00016 0.00007 116 4YY 0.00012 -0.00003 -0.00006 0.00007 -0.00014 117 4ZZ 0.00009 -0.00005 -0.00008 0.00011 0.00005 118 4XY -0.00012 -0.00004 0.00010 -0.00006 0.00011 119 4XZ 0.00003 0.00004 -0.00002 -0.00001 0.00006 120 4YZ -0.00006 0.00008 0.00010 -0.00011 0.00002 121 9 C 1S -0.00056 0.00017 0.00082 -0.00109 0.00053 122 2S 0.00073 -0.00055 -0.00134 0.00208 -0.00105 123 2PX -0.00076 0.00152 0.00312 -0.00358 0.00188 124 2PY 0.00192 -0.00133 -0.00329 0.00377 -0.00189 125 2PZ -0.00109 0.00136 0.00293 -0.00412 0.00129 126 3S 0.00072 -0.00013 -0.00135 0.00375 -0.00192 127 3PX -0.00011 0.00000 0.00130 -0.00231 0.00117 128 3PY 0.00074 -0.00042 -0.00081 0.00202 -0.00179 129 3PZ -0.00028 0.00003 0.00075 -0.00263 0.00109 130 4XX -0.00007 -0.00010 -0.00010 -0.00011 0.00013 131 4YY -0.00010 -0.00011 0.00011 0.00001 -0.00011 132 4ZZ 0.00011 0.00019 0.00001 -0.00008 0.00007 133 4XY 0.00003 0.00019 0.00025 -0.00005 -0.00005 134 4XZ 0.00013 -0.00006 -0.00030 0.00005 0.00005 135 4YZ 0.00002 0.00015 0.00007 -0.00011 0.00012 136 10 C 1S 0.00081 0.00178 0.00343 0.00250 -0.00129 137 2S -0.00221 -0.00417 -0.00621 -0.00441 0.00191 138 2PX 0.00174 0.00491 0.00887 0.00444 -0.00550 139 2PY -0.00678 -0.00369 0.00460 -0.00366 -0.00166 140 2PZ -0.00081 -0.00729 -0.00460 0.00727 -0.00356 141 3S -0.00180 -0.00523 -0.00797 -0.00588 0.00389 142 3PX 0.00004 0.00283 0.00405 0.00254 -0.00251 143 3PY -0.00403 -0.00053 0.00214 -0.00135 -0.00045 144 3PZ 0.00006 -0.00393 -0.00234 0.00284 -0.00086 145 4XX -0.00012 -0.00049 0.00013 -0.00001 -0.00022 146 4YY -0.00001 0.00030 0.00013 0.00015 -0.00004 147 4ZZ 0.00020 0.00044 0.00002 -0.00003 0.00020 148 4XY 0.00019 0.00009 0.00056 -0.00032 -0.00009 149 4XZ 0.00019 0.00023 -0.00017 0.00024 -0.00010 150 4YZ -0.00003 0.00034 -0.00018 -0.00044 0.00055 151 11 C 1S 0.00020 0.00002 -0.00120 0.00060 0.00048 152 2S -0.00067 -0.00003 0.00227 -0.00096 -0.00090 153 2PX 0.00262 0.00061 -0.00523 0.00310 0.00205 154 2PY 0.00193 0.00051 -0.00368 0.00177 0.00146 155 2PZ -0.00114 0.00026 0.00192 -0.00178 -0.00115 156 3S 0.00013 -0.00140 0.00304 -0.00111 -0.00169 157 3PX 0.00055 0.00049 -0.00296 0.00109 0.00113 158 3PY 0.00041 0.00052 -0.00253 0.00088 0.00112 159 3PZ -0.00024 0.00020 0.00107 -0.00070 -0.00098 160 4XX -0.00015 -0.00011 -0.00016 -0.00016 0.00010 161 4YY 0.00010 0.00010 0.00003 0.00002 -0.00002 162 4ZZ 0.00005 -0.00000 -0.00007 0.00015 -0.00001 163 4XY -0.00014 0.00003 0.00011 -0.00029 0.00001 164 4XZ 0.00012 0.00019 0.00004 -0.00002 0.00003 165 4YZ 0.00006 0.00017 -0.00004 -0.00013 0.00015 166 12 H 1S 0.00071 -0.00014 -0.00000 0.00078 -0.00026 167 2S 0.00110 0.00012 -0.00024 0.00141 -0.00068 168 13 H 1S 0.00066 0.00084 -0.00014 -0.00036 0.00029 169 2S 0.00106 0.00133 -0.00026 -0.00041 0.00093 170 14 C 1S -0.00020 0.00007 0.00034 -0.00031 -0.00007 171 2S 0.00009 -0.00045 -0.00099 0.00052 0.00023 172 2PX -0.00089 0.00050 0.00210 -0.00144 -0.00076 173 2PY 0.00000 0.00016 -0.00026 0.00005 0.00041 174 2PZ 0.00042 0.00003 -0.00092 0.00042 0.00063 175 3S 0.00004 -0.00078 -0.00141 0.00084 0.00024 176 3PX -0.00041 0.00037 0.00130 -0.00086 -0.00060 177 3PY -0.00015 0.00002 -0.00028 -0.00003 0.00028 178 3PZ 0.00027 0.00028 -0.00058 -0.00007 0.00047 179 4XX -0.00002 0.00003 0.00014 -0.00003 -0.00003 180 4YY 0.00002 0.00002 -0.00005 -0.00001 0.00003 181 4ZZ -0.00001 -0.00001 0.00000 -0.00001 -0.00003 182 4XY -0.00007 0.00003 0.00017 -0.00010 -0.00006 183 4XZ 0.00002 -0.00002 -0.00007 0.00003 0.00002 184 4YZ 0.00004 0.00000 -0.00009 0.00003 0.00002 185 15 H 1S -0.00053 0.00019 0.00104 -0.00066 -0.00031 186 2S -0.00048 0.00034 0.00167 -0.00087 -0.00046 187 16 H 1S -0.00001 -0.00019 -0.00026 0.00013 -0.00021 188 2S 0.00006 0.00029 -0.00027 -0.00026 0.00000 189 17 C 1S 0.00002 0.00006 0.00004 0.00004 -0.00006 190 2S -0.00010 -0.00007 -0.00001 -0.00010 0.00010 191 2PX 0.00025 0.00027 0.00013 0.00032 -0.00001 192 2PY 0.00000 -0.00004 -0.00010 0.00026 0.00000 193 2PZ -0.00017 0.00001 0.00021 0.00005 -0.00017 194 3S -0.00019 -0.00045 -0.00021 0.00037 0.00011 195 3PX 0.00009 0.00025 0.00022 0.00007 0.00003 196 3PY -0.00001 -0.00010 0.00001 0.00027 0.00003 197 3PZ -0.00005 -0.00007 0.00016 0.00013 -0.00022 198 4XX 0.00000 0.00000 0.00000 -0.00002 0.00003 199 4YY 0.00001 -0.00000 -0.00002 0.00002 -0.00002 200 4ZZ -0.00001 0.00001 0.00002 -0.00001 -0.00001 201 4XY -0.00004 -0.00000 0.00006 -0.00005 -0.00002 202 4XZ 0.00001 -0.00002 -0.00004 0.00005 -0.00002 203 4YZ 0.00001 0.00001 0.00001 0.00000 0.00001 204 18 C 1S 0.00013 -0.00009 -0.00027 0.00024 -0.00015 205 2S -0.00051 -0.00024 0.00037 -0.00065 0.00038 206 2PX 0.00070 -0.00023 -0.00100 0.00121 -0.00101 207 2PY -0.00050 0.00030 0.00074 -0.00113 0.00072 208 2PZ 0.00005 0.00016 -0.00010 -0.00017 0.00048 209 3S -0.00122 -0.00046 0.00064 -0.00106 0.00042 210 3PX 0.00052 0.00005 -0.00033 0.00068 -0.00050 211 3PY -0.00026 0.00039 0.00030 -0.00084 0.00061 212 3PZ -0.00007 0.00006 -0.00025 -0.00014 0.00023 213 4XX 0.00001 0.00001 -0.00001 0.00005 -0.00001 214 4YY 0.00004 -0.00003 -0.00005 0.00008 -0.00005 215 4ZZ 0.00001 0.00002 0.00000 -0.00005 0.00002 216 4XY -0.00006 -0.00001 0.00006 -0.00010 0.00002 217 4XZ 0.00006 -0.00001 -0.00009 0.00014 -0.00006 218 4YZ -0.00003 0.00001 0.00005 -0.00008 0.00003 219 19 H 1S -0.00011 -0.00015 0.00011 -0.00011 -0.00013 220 2S 0.00015 0.00017 -0.00007 -0.00032 0.00001 221 20 H 1S 0.00040 -0.00018 -0.00068 0.00087 -0.00035 222 2S 0.00074 0.00002 -0.00094 0.00147 -0.00054 223 21 H 1S -0.00005 0.00003 0.00010 0.00015 -0.00009 224 2S 0.00001 0.00012 0.00002 -0.00003 -0.00010 225 22 H 1S 0.00015 0.00012 -0.00004 0.00003 0.00021 226 2S 0.00016 0.00006 -0.00016 0.00004 0.00027 227 23 H 1S 0.00175 0.00413 -0.00243 -0.00464 0.00463 228 2S 0.00146 0.00570 -0.00042 -0.00289 0.00430 229 24 H 1S 0.00052 0.00087 0.00020 -0.00054 0.00011 230 2S 0.00059 0.00179 0.00049 -0.00096 0.00074 231 25 H 1S 0.00068 0.00004 -0.00005 0.00004 -0.00060 232 2S 0.00083 0.00021 -0.00031 0.00017 -0.00110 233 26 H 1S 0.00058 -0.00038 -0.00041 0.00064 0.00026 234 2S 0.00058 -0.00023 -0.00082 0.00097 0.00010 235 27 H 1S -0.00088 -0.00112 0.00096 -0.00053 0.00010 236 2S 0.00012 -0.00200 0.00187 -0.00066 -0.00039 237 28 Br 1S 0.00016 0.00011 -0.00017 0.00012 -0.00017 238 2S -0.00087 -0.00042 0.00073 -0.00056 0.00081 239 3S 0.00075 0.00008 -0.00036 0.00035 -0.00055 240 4S 0.00121 -0.00005 -0.00043 0.00053 -0.00086 241 5S -0.00029 0.00005 -0.00020 0.00030 -0.00029 242 6S -0.00136 0.00262 -0.00120 -0.00074 0.00069 243 7PX 0.00049 0.00007 -0.00031 0.00025 0.00011 244 7PY 0.00111 0.00154 0.00032 0.00088 0.00161 245 7PZ 0.00095 0.00044 0.00009 -0.00005 0.00035 246 8PX 0.00001 -0.00002 0.00013 -0.00050 0.00006 247 8PY -0.00123 -0.00121 -0.00100 -0.00199 -0.00415 248 8PZ -0.00050 -0.00048 -0.00034 -0.00007 -0.00142 249 9PX -0.00052 -0.00003 0.00005 0.00087 -0.00025 250 9PY 0.00163 0.00124 0.00180 0.00344 0.00738 251 9PZ 0.00007 0.00067 0.00062 0.00019 0.00275 252 10PX -0.00057 0.00004 -0.00022 0.00075 -0.00021 253 10PY 0.00047 0.00200 0.00095 0.00244 0.00627 254 10PZ -0.00039 0.00085 0.00035 -0.00030 0.00195 255 11XX -0.00047 -0.00036 0.00024 -0.00019 0.00025 256 11YY -0.00020 0.00024 0.00025 -0.00012 0.00062 257 11ZZ -0.00054 -0.00029 0.00032 -0.00037 0.00012 258 11XY 0.00016 0.00002 -0.00004 0.00002 0.00017 259 11XZ 0.00005 -0.00000 -0.00003 -0.00004 0.00008 260 11YZ -0.00004 0.00013 -0.00002 -0.00008 0.00014 261 12XX -0.00011 -0.00026 0.00004 -0.00016 -0.00007 262 12YY 0.00018 -0.00056 0.00052 0.00020 -0.00004 263 12ZZ -0.00008 -0.00007 0.00008 0.00027 0.00023 264 12XY 0.00031 0.00000 -0.00001 -0.00006 0.00004 265 12XZ 0.00004 0.00003 0.00004 0.00008 0.00003 266 12YZ 0.00049 0.00003 -0.00006 0.00041 0.00023 267 29 C 1S -0.00009 -0.00437 -0.00036 -0.00049 -0.00476 268 2S -0.00037 0.00751 0.00059 0.00103 0.00874 269 2PX 0.00100 -0.00195 0.00707 0.00882 -0.00200 270 2PY 0.01012 -0.01168 0.00272 -0.00078 -0.00008 271 2PZ -0.00024 -0.00150 -0.00130 0.00097 -0.00864 272 3S -0.00088 0.01064 0.00022 0.00104 0.01140 273 3PX 0.00046 -0.00169 0.00355 0.00458 -0.00113 274 3PY 0.00514 -0.00698 0.00145 -0.00009 -0.00095 275 3PZ -0.00036 -0.00193 -0.00021 0.00021 -0.00461 276 4XX 0.00038 -0.00038 0.00002 -0.00021 0.00001 277 4YY 0.00017 -0.00022 0.00042 -0.00014 -0.00006 278 4ZZ -0.00048 0.00030 -0.00040 0.00036 -0.00020 279 4XY 0.00029 -0.00017 0.00072 0.00027 -0.00000 280 4XZ -0.00018 0.00032 0.00013 0.00025 -0.00028 281 4YZ -0.00012 -0.00011 -0.00007 -0.00041 0.00036 282 30 H 1S 0.00202 -0.00026 -0.00358 -0.00488 0.00324 283 2S 0.00128 -0.00244 -0.00341 -0.00421 0.00106 284 31 H 1S -0.00353 0.00573 -0.00053 0.00360 -0.00204 285 2S -0.00262 0.00314 -0.00146 0.00364 -0.00413 286 32 H 1S 0.00527 -0.00322 0.00574 0.00324 0.00293 287 2S 0.00449 -0.00368 0.00537 0.00138 0.00003 288 33 H 1S -0.00359 0.00827 0.00194 0.00227 0.00113 289 2S -0.00284 0.00720 0.00252 0.00021 0.00345 290 34 H 1S 0.00581 -0.00037 0.00134 -0.00314 -0.00576 291 2S 0.00530 -0.00192 0.00326 -0.00396 -0.00367 292 35 H 1S -0.00061 0.00112 0.00086 -0.00031 0.00006 293 2S -0.00067 0.00192 0.00119 -0.00056 0.00057 294 36 H 1S -0.00005 0.00042 0.00087 0.00018 0.00014 295 2S -0.00008 0.00065 0.00059 0.00056 -0.00029 296 37 H 1S 0.00030 0.00051 -0.00019 -0.00026 -0.00054 297 2S -0.00001 0.00095 0.00008 -0.00001 -0.00033 298 38 H 1S -0.00068 -0.00063 -0.00021 0.00011 0.00023 299 2S -0.00112 -0.00093 -0.00032 0.00049 0.00060 300 39 H 1S 0.00042 -0.00005 -0.00112 0.00036 -0.00094 301 2S 0.00038 0.00034 -0.00135 0.00041 -0.00058 302 40 H 1S 0.00087 -0.00030 0.00098 0.00021 -0.00029 303 2S 0.00116 -0.00061 0.00188 -0.00056 -0.00064 76 77 78 79 80 76 6 C 1S 2.05930 77 2S -0.07748 0.37195 78 2PX -0.00042 0.00232 0.46968 79 2PY -0.01187 0.02188 -0.00428 0.39610 80 2PZ -0.00450 0.01934 -0.03879 -0.11366 0.24506 81 3S -0.22268 0.36568 0.00783 0.07664 -0.04529 82 3PX -0.00267 0.00178 0.16096 0.02994 -0.02028 83 3PY 0.00405 0.00375 0.02558 0.12629 -0.00958 84 3PZ 0.00291 0.00610 -0.01541 -0.03423 0.13212 85 4XX -0.01491 -0.00463 -0.01100 0.00707 0.00062 86 4YY -0.01432 -0.00637 0.00996 -0.00924 -0.00025 87 4ZZ -0.01008 -0.01572 0.00123 -0.00099 -0.00269 88 4XY 0.00035 -0.00105 0.00417 0.01270 -0.00665 89 4XZ 0.00112 -0.00220 0.00045 -0.00608 0.00353 90 4YZ 0.00181 -0.00516 -0.00698 0.00047 -0.00613 91 7 C 1S 0.01282 -0.02561 -0.02866 0.05987 -0.02620 92 2S -0.02436 0.04496 0.05738 -0.12596 0.05494 93 2PX 0.02276 -0.05047 -0.02869 0.10870 -0.03508 94 2PY -0.06731 0.14499 0.12867 -0.25042 0.14812 95 2PZ 0.01401 -0.02726 -0.02176 0.09592 0.05578 96 3S 0.01756 -0.01338 0.08002 -0.12178 0.07551 97 3PX -0.00004 -0.00386 0.00833 0.03803 -0.02184 98 3PY -0.00563 0.02628 0.05283 -0.11326 0.06850 99 3PZ 0.00022 -0.00170 -0.00705 0.02735 0.02273 100 4XX 0.00209 -0.00472 -0.01092 0.00509 -0.00057 101 4YY -0.00529 0.01018 0.00888 -0.00107 0.00669 102 4ZZ 0.00178 -0.00502 -0.00215 0.00236 -0.01082 103 4XY 0.00462 -0.00899 0.00497 0.01160 -0.00690 104 4XZ -0.00145 0.00236 -0.00178 -0.00655 -0.00340 105 4YZ 0.00281 -0.00479 -0.00614 0.00515 0.00338 106 8 C 1S -0.00235 0.00564 0.00900 -0.00726 0.00202 107 2S 0.00500 -0.01159 -0.01871 0.01741 -0.00669 108 2PX -0.01043 0.02675 0.03634 -0.03549 0.00372 109 2PY 0.00998 -0.02421 -0.02069 0.03409 -0.00949 110 2PZ -0.00228 0.00723 0.00629 -0.01683 -0.01397 111 3S 0.00275 -0.01070 -0.05492 0.01811 -0.00824 112 3PX -0.00588 0.01371 0.04305 -0.01701 0.00000 113 3PY 0.00438 -0.01220 -0.01304 0.02984 -0.00538 114 3PZ -0.00160 0.00490 0.01251 -0.01245 -0.01384 115 4XX 0.00012 -0.00083 -0.00009 0.00167 0.00047 116 4YY -0.00091 0.00216 0.00246 -0.00269 0.00195 117 4ZZ -0.00021 0.00040 -0.00034 -0.00169 -0.00224 118 4XY 0.00140 -0.00290 -0.00368 0.00597 -0.00382 119 4XZ 0.00000 -0.00000 0.00000 -0.00112 -0.00095 120 4YZ -0.00027 0.00062 0.00018 0.00006 0.00107 121 9 C 1S -0.00181 0.00384 0.00564 -0.00224 0.00243 122 2S 0.00358 -0.00770 -0.01144 0.00519 -0.00570 123 2PX -0.00742 0.01671 0.02371 -0.01197 0.00612 124 2PY -0.00263 0.00641 0.00160 -0.02152 0.00360 125 2PZ -0.00069 0.00079 0.00600 0.01607 0.00239 126 3S 0.00341 -0.00781 -0.01640 0.00003 -0.01205 127 3PX -0.00436 0.00847 0.00637 -0.00152 -0.00164 128 3PY -0.00297 0.00527 0.01003 -0.01398 0.00289 129 3PZ 0.00224 -0.00244 0.00139 0.01129 0.00350 130 4XX 0.00019 -0.00065 -0.00110 0.00045 -0.00005 131 4YY -0.00027 0.00070 0.00061 -0.00053 -0.00029 132 4ZZ -0.00020 0.00043 0.00044 0.00001 0.00036 133 4XY 0.00010 -0.00011 0.00036 0.00177 -0.00019 134 4XZ 0.00008 -0.00010 -0.00046 -0.00124 0.00081 135 4YZ -0.00004 -0.00002 -0.00003 -0.00009 0.00095 136 10 C 1S -0.00260 0.00503 0.01054 0.00597 -0.00265 137 2S 0.00509 -0.00942 -0.02129 -0.01364 0.00701 138 2PX -0.01177 0.02735 0.04448 0.03287 -0.00841 139 2PY -0.00243 0.00362 -0.00197 0.00079 -0.01431 140 2PZ 0.00284 -0.00862 -0.01999 -0.02394 -0.02226 141 3S 0.00321 -0.01196 -0.06543 -0.01104 0.00410 142 3PX -0.00383 0.01254 0.02659 0.01101 0.00567 143 3PY -0.00519 0.00507 -0.01910 -0.00091 -0.00257 144 3PZ 0.00250 -0.00626 -0.01755 -0.00632 -0.01412 145 4XX -0.00145 0.00247 0.00369 0.00205 -0.00453 146 4YY 0.00040 -0.00080 -0.00184 -0.00076 0.00143 147 4ZZ 0.00012 -0.00025 -0.00021 0.00090 0.00248 148 4XY -0.00110 0.00255 0.00458 0.00402 -0.00173 149 4XZ 0.00048 -0.00082 -0.00220 -0.00243 0.00078 150 4YZ 0.00051 -0.00111 -0.00135 -0.00080 0.00288 151 11 C 1S 0.00127 -0.00372 -0.00562 -0.00508 0.00343 152 2S -0.00383 0.00733 0.00993 0.01099 -0.00697 153 2PX 0.00755 -0.01560 -0.02326 -0.02611 0.00856 154 2PY 0.00598 -0.01384 -0.01868 -0.01649 0.01462 155 2PZ -0.00196 0.00471 0.00984 0.01291 0.00029 156 3S -0.00140 0.00805 0.03597 0.02178 -0.02221 157 3PX 0.00144 -0.00592 -0.01520 -0.01308 0.00428 158 3PY 0.00351 -0.00913 -0.02226 -0.01592 0.01389 159 3PZ -0.00063 0.00234 0.00778 0.00434 -0.00188 160 4XX 0.00034 -0.00080 -0.00151 -0.00101 0.00037 161 4YY -0.00034 0.00044 0.00100 0.00079 0.00009 162 4ZZ -0.00007 -0.00018 -0.00035 -0.00035 0.00015 163 4XY -0.00004 0.00031 0.00076 0.00095 0.00039 164 4XZ -0.00010 0.00014 0.00051 0.00061 0.00061 165 4YZ 0.00022 -0.00048 -0.00047 0.00015 0.00097 166 12 H 1S -0.00084 0.00069 0.00116 -0.00041 -0.00132 167 2S -0.00094 0.00136 0.00361 -0.00086 -0.00175 168 13 H 1S 0.00079 -0.00174 0.00043 0.00284 0.00591 169 2S 0.00103 -0.00215 0.00113 0.00324 0.00969 170 14 C 1S -0.00058 0.00140 0.00271 0.00198 0.00030 171 2S 0.00141 -0.00287 -0.00486 -0.00426 -0.00053 172 2PX -0.00297 0.00606 0.01152 0.01421 0.00334 173 2PY -0.00004 -0.00002 -0.00218 -0.00244 -0.00020 174 2PZ 0.00167 -0.00309 -0.00538 -0.00452 0.00070 175 3S 0.00253 -0.00641 -0.01850 -0.00973 0.00175 176 3PX -0.00178 0.00440 0.01106 0.01088 0.00048 177 3PY 0.00143 -0.00167 -0.00294 -0.00510 0.00309 178 3PZ 0.00160 -0.00286 -0.00492 -0.00183 0.00290 179 4XX -0.00024 0.00053 0.00069 0.00049 -0.00037 180 4YY 0.00015 -0.00020 -0.00016 -0.00017 0.00045 181 4ZZ 0.00002 -0.00006 0.00004 0.00014 0.00005 182 4XY -0.00029 0.00057 0.00103 0.00106 -0.00010 183 4XZ 0.00010 -0.00025 -0.00033 -0.00028 0.00016 184 4YZ 0.00015 -0.00030 -0.00044 -0.00049 0.00013 185 15 H 1S -0.00179 0.00357 0.00555 0.00659 0.00013 186 2S -0.00282 0.00567 0.01047 0.01024 -0.00201 187 16 H 1S 0.00041 -0.00106 -0.00098 -0.00101 0.00019 188 2S 0.00114 -0.00189 -0.00023 -0.00048 0.00339 189 17 C 1S -0.00020 0.00045 0.00075 0.00013 -0.00034 190 2S 0.00041 -0.00114 -0.00126 0.00074 0.00070 191 2PX -0.00083 0.00190 0.00199 -0.00193 -0.00286 192 2PY 0.00020 -0.00080 -0.00032 0.00001 -0.00043 193 2PZ -0.00010 -0.00046 0.00013 0.00178 -0.00122 194 3S 0.00031 -0.00074 -0.00228 -0.00627 0.00148 195 3PX -0.00058 0.00093 0.00103 0.00132 -0.00229 196 3PY -0.00024 0.00006 -0.00043 0.00090 -0.00166 197 3PZ -0.00041 0.00026 -0.00054 0.00247 -0.00227 198 4XX -0.00003 0.00012 0.00012 -0.00044 -0.00013 199 4YY 0.00002 -0.00007 -0.00008 0.00023 -0.00000 200 4ZZ 0.00000 -0.00001 0.00010 0.00026 0.00005 201 4XY -0.00006 0.00009 0.00019 0.00042 0.00002 202 4XZ 0.00011 -0.00023 -0.00021 0.00000 -0.00007 203 4YZ -0.00002 0.00002 0.00008 -0.00015 -0.00014 204 18 C 1S 0.00001 0.00010 -0.00007 -0.00051 0.00070 205 2S 0.00005 -0.00013 -0.00094 0.00063 -0.00133 206 2PX 0.00130 -0.00244 -0.00372 0.00448 0.00282 207 2PY -0.00102 0.00194 0.00263 -0.00220 0.00281 208 2PZ 0.00058 -0.00062 -0.00146 -0.00041 0.00246 209 3S 0.00106 -0.00266 0.00217 0.00477 -0.00220 210 3PX 0.00055 -0.00092 -0.00248 0.00541 -0.00070 211 3PY 0.00033 -0.00024 0.00124 0.00159 0.00376 212 3PZ 0.00037 -0.00041 0.00047 -0.00331 0.00512 213 4XX 0.00015 -0.00026 -0.00031 0.00012 -0.00003 214 4YY -0.00001 0.00010 0.00004 -0.00029 0.00010 215 4ZZ 0.00001 -0.00005 -0.00006 0.00018 0.00005 216 4XY -0.00003 0.00000 0.00003 0.00028 0.00006 217 4XZ 0.00007 -0.00014 -0.00038 -0.00006 -0.00005 218 4YZ -0.00009 0.00015 0.00024 -0.00008 -0.00017 219 19 H 1S -0.00031 0.00036 0.00075 0.00052 -0.00234 220 2S -0.00053 0.00133 0.00170 -0.00068 0.00320 221 20 H 1S 0.00113 -0.00180 -0.00295 0.00101 0.00045 222 2S 0.00096 -0.00141 -0.00285 -0.00167 0.00102 223 21 H 1S -0.00003 -0.00054 0.00013 0.00080 -0.00114 224 2S 0.00024 -0.00072 0.00109 0.00016 0.00011 225 22 H 1S -0.00030 0.00094 0.00028 -0.00274 -0.00085 226 2S -0.00025 0.00091 -0.00032 -0.00404 -0.00085 227 23 H 1S 0.00416 -0.00681 -0.00707 0.00157 0.02672 228 2S 0.00207 -0.00546 -0.00940 0.00368 0.03270 229 24 H 1S -0.00113 0.00251 0.00342 -0.00093 0.00462 230 2S -0.00249 0.00482 0.00502 -0.00211 0.00874 231 25 H 1S -0.00761 0.01799 0.01735 -0.02519 0.01674 232 2S -0.00854 0.02117 0.02743 -0.02749 0.02776 233 26 H 1S -0.00050 0.00306 -0.00062 -0.01239 -0.01358 234 2S -0.00089 0.00285 -0.00070 -0.01465 -0.00947 235 27 H 1S 0.01023 -0.02439 0.00436 0.04591 -0.01198 236 2S 0.00917 -0.02089 0.02349 0.06528 -0.03184 237 28 Br 1S -0.00081 0.00065 0.00064 -0.00110 0.00058 238 2S 0.00519 -0.00716 -0.00395 0.00777 -0.00330 239 3S -0.00598 0.01239 0.00428 -0.00989 0.00315 240 4S -0.01131 0.02420 0.00710 -0.01811 0.00472 241 5S 0.00355 -0.02166 -0.00216 0.00982 -0.00840 242 6S 0.02944 -0.04497 -0.01082 0.04662 0.03045 243 7PX 0.00054 0.00331 -0.00370 0.00227 0.00216 244 7PY -0.00077 -0.00762 -0.00678 -0.01142 -0.03201 245 7PZ 0.00055 -0.00070 -0.00419 -0.00098 -0.01699 246 8PX -0.00067 -0.00451 0.01040 -0.00714 -0.00681 247 8PY 0.00021 0.01902 0.01978 0.04179 0.10197 248 8PZ -0.00217 0.00536 0.01315 0.00793 0.05485 249 9PX 0.00088 0.00632 -0.02001 0.01384 0.01224 250 9PY 0.00205 -0.03615 -0.03594 -0.07706 -0.18750 251 9PZ 0.00572 -0.01327 -0.02432 -0.01324 -0.10115 252 10PX -0.00002 0.00724 -0.02498 0.01068 0.01522 253 10PY 0.01454 -0.04837 -0.03378 -0.04316 -0.13462 254 10PZ 0.01176 -0.01932 -0.02226 0.01392 -0.06325 255 11XX 0.00104 -0.00322 -0.00150 0.00002 -0.00492 256 11YY 0.00426 -0.00691 -0.00268 0.00359 0.00059 257 11ZZ 0.00260 -0.00406 -0.00205 0.00994 -0.00011 258 11XY 0.00009 0.00004 -0.00386 0.00125 0.00039 259 11XZ -0.00024 0.00117 -0.00255 0.00073 0.00181 260 11YZ 0.00323 -0.00468 -0.00126 0.01053 0.00333 261 12XX -0.00121 -0.00117 -0.00108 0.00424 0.00351 262 12YY -0.00367 0.00673 0.00191 -0.00446 -0.01217 263 12ZZ -0.00093 -0.00112 -0.00077 -0.01336 -0.00998 264 12XY -0.00011 -0.00012 0.00871 -0.00282 -0.00156 265 12XZ 0.00097 -0.00239 0.00329 -0.00019 -0.00355 266 12YZ -0.00303 0.00780 0.00047 -0.02374 -0.01031 267 29 C 1S -0.00442 0.00911 0.00524 0.00440 -0.00708 268 2S 0.00687 -0.01907 -0.01128 -0.01159 0.01408 269 2PX -0.00686 0.01499 0.00094 0.00839 -0.02237 270 2PY -0.01424 0.03879 0.01739 -0.00453 -0.06053 271 2PZ -0.00757 0.01586 0.00427 -0.00327 -0.05263 272 3S 0.02415 -0.04506 -0.02973 -0.02806 0.01888 273 3PX -0.00713 0.01171 -0.00133 0.00796 -0.01446 274 3PY -0.01319 0.02899 0.02056 0.00068 -0.02963 275 3PZ -0.00897 0.01638 0.00766 0.01168 -0.03243 276 4XX -0.00087 0.00171 0.00034 0.00036 -0.00213 277 4YY -0.00175 0.00363 0.00482 0.00499 -0.00125 278 4ZZ 0.00113 -0.00301 -0.00292 -0.00351 0.00162 279 4XY -0.00148 0.00364 0.00360 0.00516 -0.00096 280 4XZ -0.00012 0.00025 0.00175 0.00244 -0.00014 281 4YZ -0.00003 0.00015 0.00195 0.00310 0.00134 282 30 H 1S 0.00263 -0.00483 -0.00229 -0.01516 -0.00747 283 2S 0.00032 -0.00122 -0.00624 -0.01286 -0.00726 284 31 H 1S 0.00394 -0.01283 -0.01273 -0.01139 -0.00417 285 2S 0.00426 -0.01103 -0.01073 -0.01990 -0.00102 286 32 H 1S -0.00965 0.02338 0.01494 0.01261 -0.02690 287 2S -0.01201 0.02989 0.02726 0.03119 -0.02522 288 33 H 1S 0.00242 -0.00454 -0.00307 -0.00074 0.02263 289 2S 0.00284 -0.00658 -0.00047 0.00053 0.02581 290 34 H 1S -0.00748 0.01645 0.02042 0.02680 -0.01088 291 2S -0.00995 0.02170 0.02895 0.04552 -0.02736 292 35 H 1S 0.00026 0.00187 0.00090 0.00404 0.00569 293 2S 0.00010 0.00192 0.00398 0.00408 0.01051 294 36 H 1S -0.00115 0.00250 -0.00397 -0.00383 -0.01363 295 2S -0.00026 0.00083 -0.00258 -0.00539 -0.01176 296 37 H 1S 0.00313 -0.00639 0.01594 0.00536 0.01849 297 2S 0.00303 -0.00909 0.01830 0.00427 0.01856 298 38 H 1S -0.00817 0.01799 -0.03649 0.00889 0.00456 299 2S -0.00773 0.01811 -0.05065 0.01557 -0.00182 300 39 H 1S 0.01132 -0.03114 0.03497 0.01152 0.02986 301 2S 0.01686 -0.04013 0.05019 -0.00486 0.01191 302 40 H 1S 0.00838 -0.01924 0.03659 0.00186 -0.02026 303 2S 0.00734 -0.01713 0.06337 0.02038 -0.02754 81 82 83 84 85 81 3S 0.46419 82 3PX 0.01407 0.07537 83 3PY 0.00880 0.01998 0.06870 84 3PZ -0.03111 -0.01170 -0.00049 0.08265 85 4XX -0.00462 -0.00158 0.00039 0.00105 0.00153 86 4YY -0.00860 0.00076 -0.00097 -0.00024 -0.00083 87 4ZZ -0.01254 0.00054 -0.00043 -0.00191 0.00002 88 4XY -0.00023 0.00147 0.00210 -0.00213 0.00011 89 4XZ -0.00254 -0.00122 -0.00144 0.00185 -0.00010 90 4YZ -0.00204 -0.00149 -0.00190 -0.00311 0.00012 91 7 C 1S 0.02536 0.00700 -0.00568 -0.00184 0.00229 92 2S -0.02103 0.00394 -0.00749 0.01035 -0.00476 93 2PX -0.00554 0.01149 0.02223 -0.01127 0.01166 94 2PY 0.12756 0.02917 -0.07227 0.06446 -0.00674 95 2PZ -0.01512 0.00041 0.03100 0.01892 0.00264 96 3S -0.10841 0.00487 0.02295 0.02247 -0.00548 97 3PX 0.02554 0.01192 0.00336 -0.00865 0.00444 98 3PY 0.00593 0.00792 -0.02523 0.02669 -0.00313 99 3PZ 0.02041 0.00297 0.00260 0.00360 0.00061 100 4XX -0.00391 -0.00345 0.00053 -0.00036 0.00048 101 4YY 0.00995 0.00295 0.00003 0.00419 -0.00029 102 4ZZ -0.00369 -0.00078 0.00031 -0.00533 -0.00016 103 4XY -0.01028 0.00255 0.00566 -0.00363 0.00002 104 4XZ 0.00293 -0.00146 -0.00370 -0.00156 -0.00007 105 4YZ -0.00599 -0.00171 0.00233 0.00360 0.00050 106 8 C 1S 0.00028 0.00388 -0.00190 0.00184 -0.00117 107 2S -0.00734 -0.01064 0.00553 -0.00464 0.00221 108 2PX 0.02096 0.00551 -0.00348 0.00481 -0.00696 109 2PY -0.06041 0.00482 0.05094 -0.02341 0.00221 110 2PZ 0.00929 -0.00546 -0.01709 -0.01235 -0.00123 111 3S 0.00241 -0.02079 0.00100 -0.00605 0.00205 112 3PX 0.01373 0.01231 0.00517 -0.00070 -0.00349 113 3PY -0.02813 0.00195 0.03044 -0.00846 0.00127 114 3PZ 0.00090 -0.00179 -0.00943 -0.00879 -0.00094 115 4XX -0.00163 0.00077 0.00182 -0.00043 0.00023 116 4YY 0.00279 0.00021 -0.00198 0.00198 -0.00031 117 4ZZ 0.00027 -0.00072 -0.00099 -0.00151 -0.00017 118 4XY -0.00307 -0.00070 0.00247 -0.00187 0.00009 119 4XZ -0.00055 -0.00007 -0.00048 0.00002 0.00007 120 4YZ 0.00216 -0.00015 -0.00100 0.00155 -0.00001 121 9 C 1S 0.00851 0.00341 -0.00265 0.00213 -0.00003 122 2S -0.01226 -0.00476 0.00475 -0.00586 -0.00025 123 2PX 0.05828 0.01463 -0.02324 0.01312 0.00109 124 2PY 0.01082 -0.01274 -0.03117 0.00962 -0.00098 125 2PZ 0.00633 0.00732 0.00002 0.01450 0.00070 126 3S -0.01450 -0.01125 -0.00077 -0.01026 -0.00136 127 3PX 0.02546 0.00733 -0.00832 0.00307 0.00093 128 3PY 0.01264 -0.00249 -0.01354 0.00407 -0.00083 129 3PZ -0.00166 0.00457 0.00044 0.00828 0.00101 130 4XX -0.00181 0.00043 0.00020 -0.00046 0.00035 131 4YY 0.00192 -0.00024 -0.00025 -0.00018 -0.00009 132 4ZZ 0.00061 -0.00033 -0.00042 0.00101 -0.00018 133 4XY 0.00005 0.00017 0.00184 0.00014 -0.00016 134 4XZ -0.00105 -0.00057 -0.00167 0.00110 0.00002 135 4YZ 0.00112 0.00063 -0.00163 0.00158 0.00014 136 10 C 1S 0.00873 0.00338 0.00605 -0.00370 -0.00164 137 2S -0.02269 -0.01055 -0.00968 0.00585 0.00302 138 2PX 0.06883 -0.00565 0.05383 -0.01412 -0.00980 139 2PY 0.04419 0.00435 0.00959 -0.01721 0.00218 140 2PZ -0.01944 -0.00909 -0.02605 -0.02848 0.00307 141 3S -0.02781 -0.02419 -0.01358 0.00506 0.00391 142 3PX 0.02416 -0.00317 0.02268 0.00070 -0.00428 143 3PY 0.02344 -0.00813 0.00044 -0.00317 0.00084 144 3PZ -0.00893 -0.00493 -0.00999 -0.01602 0.00156 145 4XX 0.00321 0.00181 -0.00109 -0.00237 0.00018 146 4YY -0.00065 -0.00080 0.00159 0.00012 -0.00023 147 4ZZ -0.00122 -0.00041 0.00020 0.00230 -0.00012 148 4XY 0.00496 0.00201 0.00293 -0.00074 -0.00026 149 4XZ -0.00069 -0.00116 -0.00056 0.00061 -0.00024 150 4YZ -0.00207 -0.00004 -0.00152 0.00307 0.00019 151 11 C 1S -0.00336 0.00154 -0.00194 0.00148 0.00048 152 2S 0.01417 0.00285 0.00741 -0.00583 -0.00117 153 2PX -0.05872 -0.00552 -0.04048 0.01453 0.00289 154 2PY -0.03197 0.00544 -0.01964 0.00896 0.00148 155 2PZ 0.02255 0.01201 0.01697 0.00192 -0.00087 156 3S 0.01916 0.01437 0.01431 -0.01694 -0.00150 157 3PX -0.02625 -0.00621 -0.02277 0.00916 0.00137 158 3PY -0.02181 -0.00494 -0.01216 0.00816 0.00073 159 3PZ 0.01170 0.00800 0.00817 -0.00152 -0.00056 160 4XX -0.00129 -0.00029 -0.00073 0.00028 0.00023 161 4YY 0.00040 -0.00007 0.00074 0.00020 -0.00016 162 4ZZ -0.00041 0.00019 -0.00061 0.00004 0.00002 163 4XY 0.00167 0.00042 0.00153 0.00038 -0.00008 164 4XZ -0.00019 0.00036 0.00024 0.00063 -0.00010 165 4YZ -0.00148 0.00071 -0.00045 0.00130 0.00010 166 12 H 1S 0.00021 -0.00044 -0.00144 -0.00511 -0.00048 167 2S 0.00070 0.00008 -0.00222 -0.00452 -0.00054 168 13 H 1S -0.00396 0.00962 -0.00107 0.00673 0.00002 169 2S -0.00571 0.00881 -0.00106 0.01103 0.00017 170 14 C 1S 0.00486 0.00128 0.00386 -0.00027 -0.00031 171 2S -0.01088 -0.00281 -0.00575 0.00020 0.00076 172 2PX 0.03192 0.00884 0.02515 -0.00188 -0.00180 173 2PY -0.00108 0.00490 -0.00488 0.00107 0.00024 174 2PZ -0.01596 -0.00642 -0.00907 0.00347 0.00075 175 3S -0.01754 -0.00701 -0.00528 -0.00114 0.00123 176 3PX 0.01690 0.00547 0.01399 -0.00072 -0.00112 177 3PY -0.00220 0.00231 -0.00373 0.00200 0.00042 178 3PZ -0.01095 -0.00338 -0.00335 0.00333 0.00045 179 4XX 0.00115 -0.00007 0.00035 -0.00028 -0.00007 180 4YY -0.00033 0.00030 -0.00003 0.00033 0.00001 181 4ZZ 0.00021 0.00017 0.00023 -0.00003 0.00000 182 4XY 0.00212 0.00061 0.00164 -0.00018 -0.00012 183 4XZ -0.00029 -0.00022 -0.00023 -0.00005 0.00004 184 4YZ -0.00088 -0.00001 -0.00083 0.00020 0.00007 185 15 H 1S 0.01507 0.00642 0.01092 -0.00132 -0.00080 186 2S 0.01916 0.00701 0.01408 -0.00236 -0.00127 187 16 H 1S -0.00075 0.00015 -0.00002 -0.00088 0.00013 188 2S -0.00138 0.00188 0.00001 0.00211 0.00009 189 17 C 1S 0.00269 0.00036 -0.00102 -0.00018 0.00003 190 2S -0.00284 0.00007 0.00225 -0.00008 -0.00009 191 2PX 0.01110 0.00210 -0.00597 -0.00314 0.00022 192 2PY 0.00797 -0.00159 -0.00027 -0.00272 0.00029 193 2PZ 0.00059 0.00414 0.00250 -0.00186 -0.00033 194 3S -0.00418 -0.00168 -0.00146 -0.00102 -0.00021 195 3PX 0.00554 0.00103 -0.00069 -0.00221 0.00011 196 3PY 0.00569 -0.00132 -0.00038 -0.00220 0.00014 197 3PZ 0.00027 0.00118 0.00276 -0.00225 -0.00033 198 4XX 0.00026 0.00015 -0.00073 0.00004 0.00007 199 4YY -0.00056 -0.00013 0.00022 0.00007 -0.00003 200 4ZZ 0.00049 0.00009 0.00040 -0.00013 -0.00002 201 4XY 0.00051 0.00032 0.00073 -0.00012 -0.00005 202 4XZ -0.00056 -0.00025 -0.00000 -0.00012 -0.00000 203 4YZ 0.00058 0.00032 -0.00048 -0.00008 0.00002 204 18 C 1S -0.00193 -0.00077 -0.00005 0.00074 -0.00042 205 2S 0.00051 0.00117 -0.00011 -0.00173 0.00084 206 2PX -0.02763 -0.00997 0.00861 0.00406 -0.00180 207 2PY 0.00963 0.00846 0.00078 0.00269 0.00035 208 2PZ -0.00456 -0.00382 0.00158 -0.00033 0.00061 209 3S 0.00363 0.00494 0.00223 -0.00377 0.00170 210 3PX -0.01220 -0.00485 0.00618 0.00118 -0.00111 211 3PY 0.00266 0.00485 0.00241 0.00308 0.00042 212 3PZ -0.00279 -0.00094 -0.00107 0.00203 0.00060 213 4XX -0.00030 0.00023 0.00061 -0.00037 -0.00001 214 4YY 0.00005 -0.00031 -0.00036 0.00018 -0.00004 215 4ZZ -0.00028 -0.00019 -0.00021 0.00029 0.00002 216 4XY -0.00018 0.00040 0.00039 0.00011 -0.00001 217 4XZ -0.00084 -0.00065 0.00007 -0.00024 -0.00005 218 4YZ 0.00171 0.00073 -0.00086 0.00017 0.00008 219 19 H 1S 0.00527 0.00127 -0.00415 -0.00044 0.00022 220 2S 0.00581 0.00178 -0.00518 0.00463 0.00016 221 20 H 1S -0.01426 -0.00863 0.00283 -0.00109 -0.00025 222 2S -0.01440 -0.01001 0.00198 -0.00071 -0.00080 223 21 H 1S 0.00477 0.00219 0.00052 -0.00248 -0.00010 224 2S 0.00461 0.00282 -0.00107 -0.00063 -0.00000 225 22 H 1S 0.00214 0.00062 -0.00527 -0.00002 0.00032 226 2S 0.00241 0.00058 -0.00771 0.00048 0.00060 227 23 H 1S -0.02385 -0.00172 -0.00152 0.02955 -0.00018 228 2S -0.01581 -0.00272 -0.00062 0.03198 -0.00081 229 24 H 1S 0.01263 -0.00023 -0.01546 0.01476 -0.00004 230 2S 0.01471 0.00083 -0.01500 0.01838 -0.00027 231 25 H 1S 0.03670 -0.00312 -0.02704 0.02078 -0.00179 232 2S 0.02901 0.00159 -0.02136 0.02602 -0.00206 233 26 H 1S 0.00426 -0.00784 -0.01136 -0.01018 -0.00066 234 2S -0.00116 -0.00521 -0.00770 -0.00753 -0.00087 235 27 H 1S -0.05112 -0.00141 0.03111 -0.01598 -0.00301 236 2S -0.02418 0.01235 0.02877 -0.02294 -0.00150 237 28 Br 1S -0.00533 -0.00837 -0.00035 -0.00156 0.00026 238 2S 0.02271 0.03930 0.00346 0.00848 -0.00135 239 3S -0.01021 -0.02513 -0.00578 -0.00748 0.00109 240 4S -0.01077 -0.03722 -0.01057 -0.01345 0.00175 241 5S -0.01355 -0.00455 0.01129 0.00272 -0.00133 242 6S -0.03421 -0.00156 0.01191 0.02819 0.00158 243 7PX -0.02923 -0.00444 0.01966 0.00007 0.00010 244 7PY 0.02739 0.00107 -0.02897 -0.02458 -0.00294 245 7PZ -0.03132 -0.02561 0.00927 -0.00682 -0.00127 246 8PX 0.02406 0.00413 -0.03205 -0.00056 -0.00084 247 8PY -0.04486 0.00338 0.05017 0.07709 0.00483 248 8PZ 0.04662 0.02174 -0.00614 0.01837 0.00135 249 9PX -0.02199 -0.00537 0.04934 0.00069 0.00182 250 9PY 0.06618 -0.00833 -0.07676 -0.14161 -0.00766 251 9PZ -0.07111 -0.02008 0.00459 -0.03197 -0.00164 252 10PX -0.01350 -0.00802 0.03705 0.00252 0.00146 253 10PY 0.03081 -0.00682 -0.05345 -0.10221 -0.00539 254 10PZ -0.05483 -0.01369 0.00815 -0.01570 -0.00002 255 11XX 0.01580 0.01650 0.00050 -0.00119 -0.00098 256 11YY -0.00273 0.01587 0.00321 0.00941 -0.00049 257 11ZZ 0.01181 0.01535 0.00329 0.00354 -0.00029 258 11XY -0.00176 -0.00475 -0.00126 0.00129 0.00011 259 11XZ -0.00313 0.00025 -0.00035 0.00079 0.00004 260 11YZ -0.00935 0.00120 0.00602 0.00715 0.00044 261 12XX 0.00318 0.00536 0.00302 0.00280 0.00022 262 12YY 0.01762 0.00546 -0.00320 -0.00783 -0.00080 263 12ZZ -0.00422 0.00160 -0.00009 -0.00451 -0.00118 264 12XY -0.00064 0.00294 -0.00006 -0.00094 -0.00030 265 12XZ -0.00326 0.00153 0.00224 -0.00138 0.00001 266 12YZ 0.00932 -0.00181 -0.00967 -0.00772 -0.00100 267 29 C 1S 0.01908 0.00752 0.00702 -0.00414 -0.00002 268 2S -0.02613 -0.00932 -0.00782 0.00893 -0.00026 269 2PX 0.05949 0.00448 0.02037 -0.01963 0.00068 270 2PY 0.06599 0.02444 0.00097 -0.04976 0.00049 271 2PZ 0.04614 0.01287 0.00052 -0.03077 -0.00064 272 3S -0.04942 -0.01824 -0.01713 0.01372 -0.00043 273 3PX 0.03287 0.00024 0.01009 -0.01051 0.00048 274 3PY 0.03722 0.01377 0.00240 -0.02423 0.00051 275 3PZ 0.03098 0.00829 0.00534 -0.01979 -0.00006 276 4XX 0.00232 0.00091 -0.00001 -0.00165 -0.00000 277 4YY 0.00496 0.00252 0.00181 -0.00045 0.00010 278 4ZZ -0.00495 -0.00241 -0.00115 0.00107 -0.00008 279 4XY 0.00574 0.00150 0.00333 -0.00069 -0.00014 280 4XZ 0.00025 -0.00029 0.00164 0.00048 -0.00028 281 4YZ -0.00235 0.00036 -0.00013 0.00139 0.00014 282 30 H 1S -0.01980 0.00385 -0.01800 -0.00489 0.00025 283 2S -0.01124 0.00504 -0.01728 -0.00474 0.00116 284 31 H 1S -0.00218 -0.00813 -0.00079 0.00072 -0.00094 285 2S -0.00601 -0.00840 -0.00127 0.00073 -0.00141 286 32 H 1S 0.05159 0.01377 0.01326 -0.02362 0.00021 287 2S 0.05680 0.02058 0.02045 -0.01977 -0.00029 288 33 H 1S -0.01259 -0.01140 -0.00272 0.02445 0.00031 289 2S -0.01326 -0.00615 -0.00449 0.02441 0.00025 290 34 H 1S 0.04767 0.03563 0.01557 -0.01241 0.00133 291 2S 0.05437 0.03940 0.02040 -0.02205 0.00127 292 35 H 1S -0.00893 0.00301 -0.01051 0.01309 0.00019 293 2S -0.00827 0.00384 -0.00688 0.01517 0.00002 294 36 H 1S 0.01428 -0.00364 -0.00115 -0.00599 -0.00046 295 2S 0.00932 -0.00621 0.00130 -0.00558 -0.00103 296 37 H 1S -0.01097 0.01787 0.01513 0.01461 -0.00102 297 2S -0.01185 0.01858 0.00937 0.01355 -0.00160 298 38 H 1S 0.04794 -0.03891 -0.01164 0.01036 -0.00054 299 2S 0.04420 -0.03858 -0.01002 0.00463 -0.00003 300 39 H 1S -0.04016 0.03340 0.01621 0.00824 -0.00101 301 2S -0.03829 0.03077 0.00651 0.00160 -0.00332 302 40 H 1S -0.05798 0.01603 -0.01040 -0.01025 0.00576 303 2S -0.03740 0.02342 0.00057 -0.01248 0.00212 86 87 88 89 90 86 4YY 0.00160 87 4ZZ 0.00034 0.00104 88 4XY -0.00011 0.00005 0.00138 89 4XZ 0.00029 -0.00010 -0.00025 0.00081 90 4YZ 0.00023 0.00014 0.00009 -0.00010 0.00152 91 7 C 1S -0.00497 0.00092 0.00408 -0.00183 0.00284 92 2S 0.00855 -0.00212 -0.00836 0.00388 -0.00554 93 2PX -0.00901 0.00024 -0.00516 0.00115 0.00399 94 2PY 0.00126 -0.00582 -0.01082 0.00543 -0.00680 95 2PZ -0.00698 0.00415 0.00412 0.00186 -0.01102 96 3S 0.01171 -0.00077 -0.01060 0.00457 -0.00829 97 3PX -0.00399 -0.00021 -0.00322 0.00014 0.00229 98 3PY 0.00152 -0.00091 -0.00475 0.00274 -0.00401 99 3PZ -0.00398 0.00241 0.00116 0.00117 -0.00485 100 4XX -0.00040 0.00020 0.00012 0.00007 0.00012 101 4YY -0.00014 -0.00041 0.00010 0.00001 -0.00063 102 4ZZ 0.00051 0.00022 0.00027 -0.00038 0.00107 103 4XY 0.00026 0.00039 0.00063 -0.00010 -0.00004 104 4XZ 0.00027 -0.00021 -0.00024 0.00012 0.00071 105 4YZ -0.00022 -0.00006 -0.00001 -0.00006 0.00024 106 8 C 1S 0.00058 -0.00023 0.00078 -0.00049 -0.00023 107 2S -0.00127 0.00035 -0.00144 0.00097 0.00051 108 2PX 0.00358 -0.00022 0.00595 -0.00228 -0.00025 109 2PY -0.00081 0.00049 -0.00140 0.00130 0.00003 110 2PZ 0.00127 0.00122 0.00157 -0.00032 0.00131 111 3S -0.00223 0.00038 0.00140 0.00097 0.00141 112 3PX 0.00216 -0.00004 0.00112 -0.00074 -0.00060 113 3PY -0.00048 0.00003 -0.00000 0.00069 0.00008 114 3PZ 0.00163 0.00019 0.00052 0.00005 0.00125 115 4XX -0.00002 0.00000 -0.00028 0.00014 -0.00018 116 4YY 0.00005 -0.00008 0.00013 -0.00004 -0.00015 117 4ZZ 0.00018 0.00006 0.00014 -0.00013 0.00027 118 4XY 0.00001 0.00012 0.00031 -0.00017 0.00020 119 4XZ 0.00011 -0.00010 -0.00021 -0.00001 0.00024 120 4YZ -0.00001 -0.00003 0.00001 -0.00001 -0.00003 121 9 C 1S -0.00004 -0.00013 -0.00013 -0.00005 0.00011 122 2S 0.00026 0.00035 0.00025 -0.00004 -0.00043 123 2PX -0.00018 -0.00030 -0.00099 -0.00017 0.00064 124 2PY 0.00055 -0.00015 -0.00192 0.00072 -0.00041 125 2PZ -0.00051 -0.00020 0.00042 -0.00003 0.00041 126 3S 0.00117 0.00074 0.00002 0.00020 -0.00107 127 3PX -0.00045 -0.00015 -0.00045 -0.00060 0.00034 128 3PY 0.00005 -0.00005 -0.00113 0.00060 -0.00065 129 3PZ -0.00076 -0.00015 0.00045 -0.00040 0.00044 130 4XX -0.00023 -0.00002 -0.00008 -0.00005 0.00004 131 4YY 0.00001 -0.00001 0.00007 -0.00003 -0.00003 132 4ZZ 0.00017 0.00002 -0.00002 0.00005 0.00004 133 4XY 0.00011 0.00000 -0.00005 0.00008 -0.00003 134 4XZ -0.00002 -0.00002 -0.00003 -0.00003 -0.00002 135 4YZ -0.00008 -0.00003 -0.00011 0.00001 0.00001 136 10 C 1S 0.00095 -0.00021 -0.00021 0.00060 -0.00007 137 2S -0.00203 0.00029 0.00031 -0.00123 0.00003 138 2PX 0.00678 -0.00037 -0.00122 0.00453 -0.00011 139 2PY -0.00189 0.00008 0.00014 -0.00072 0.00001 140 2PZ -0.00282 0.00000 0.00102 -0.00190 -0.00023 141 3S -0.00266 -0.00003 -0.00042 -0.00157 0.00206 142 3PX 0.00357 -0.00043 0.00028 0.00215 -0.00056 143 3PY -0.00076 -0.00011 -0.00015 0.00033 0.00032 144 3PZ -0.00167 0.00035 0.00017 -0.00160 0.00030 145 4XX -0.00023 -0.00001 0.00021 -0.00031 -0.00020 146 4YY 0.00024 0.00002 -0.00009 0.00016 0.00003 147 4ZZ 0.00015 -0.00006 0.00001 0.00019 0.00012 148 4XY 0.00004 -0.00006 0.00001 0.00006 0.00007 149 4XZ 0.00014 0.00014 -0.00026 0.00006 -0.00012 150 4YZ 0.00003 -0.00002 0.00003 0.00005 0.00019 151 11 C 1S -0.00023 -0.00014 0.00009 -0.00026 -0.00008 152 2S 0.00041 -0.00012 0.00009 0.00041 0.00000 153 2PX -0.00158 0.00015 0.00009 -0.00115 0.00010 154 2PY -0.00063 0.00024 -0.00004 -0.00065 0.00007 155 2PZ 0.00097 0.00020 0.00007 0.00046 0.00015 156 3S 0.00004 0.00028 0.00032 -0.00033 -0.00038 157 3PX -0.00067 0.00010 -0.00007 -0.00044 0.00031 158 3PY 0.00002 0.00005 -0.00017 0.00003 0.00018 159 3PZ 0.00047 0.00018 0.00008 0.00017 -0.00004 160 4XX -0.00015 0.00002 -0.00001 -0.00008 0.00000 161 4YY 0.00012 -0.00000 0.00000 0.00006 -0.00000 162 4ZZ -0.00001 0.00001 0.00001 -0.00001 0.00000 163 4XY 0.00008 0.00001 -0.00000 0.00006 0.00001 164 4XZ 0.00008 -0.00001 -0.00000 0.00005 0.00000 165 4YZ -0.00001 0.00000 0.00002 -0.00001 0.00004 166 12 H 1S -0.00000 -0.00010 -0.00001 0.00003 -0.00008 167 2S 0.00011 -0.00007 0.00007 0.00000 -0.00006 168 13 H 1S 0.00027 0.00013 0.00006 0.00003 0.00009 169 2S 0.00032 -0.00001 -0.00001 0.00014 0.00001 170 14 C 1S 0.00031 0.00000 0.00001 0.00014 0.00000 171 2S -0.00061 0.00001 0.00006 -0.00036 -0.00001 172 2PX 0.00151 0.00000 -0.00009 0.00082 -0.00004 173 2PY -0.00013 -0.00012 0.00005 -0.00011 -0.00008 174 2PZ -0.00050 0.00002 -0.00005 -0.00025 0.00000 175 3S -0.00088 0.00001 -0.00003 -0.00047 -0.00002 176 3PX 0.00080 0.00002 0.00002 0.00041 -0.00007 177 3PY -0.00028 -0.00006 0.00002 -0.00009 -0.00013 178 3PZ -0.00019 -0.00004 -0.00000 -0.00003 0.00010 179 4XX 0.00004 -0.00002 -0.00001 0.00004 -0.00000 180 4YY 0.00000 0.00000 0.00000 -0.00001 -0.00000 181 4ZZ -0.00000 0.00001 0.00000 -0.00000 0.00000 182 4XY 0.00009 -0.00001 0.00001 0.00005 -0.00000 183 4XZ -0.00002 0.00001 -0.00001 -0.00001 0.00000 184 4YZ -0.00004 0.00001 -0.00000 -0.00002 0.00001 185 15 H 1S 0.00062 -0.00009 0.00006 0.00032 -0.00007 186 2S 0.00094 -0.00011 0.00013 0.00047 -0.00005 187 16 H 1S -0.00013 0.00005 0.00002 -0.00007 0.00005 188 2S 0.00008 0.00003 0.00002 0.00011 0.00016 189 17 C 1S 0.00005 0.00001 -0.00012 0.00005 0.00002 190 2S -0.00004 -0.00001 0.00020 -0.00010 -0.00007 191 2PX 0.00002 0.00002 -0.00029 0.00006 0.00011 192 2PY -0.00003 0.00009 -0.00032 0.00009 0.00010 193 2PZ 0.00009 -0.00005 0.00023 0.00002 -0.00012 194 3S -0.00013 0.00003 0.00057 -0.00034 -0.00038 195 3PX 0.00005 -0.00001 -0.00019 0.00008 0.00017 196 3PY 0.00002 0.00004 -0.00034 0.00010 0.00013 197 3PZ 0.00014 -0.00000 0.00018 -0.00006 -0.00004 198 4XX -0.00004 -0.00000 -0.00001 -0.00002 0.00001 199 4YY 0.00001 0.00000 0.00001 0.00001 -0.00001 200 4ZZ 0.00002 0.00000 -0.00001 0.00001 0.00001 201 4XY 0.00003 -0.00000 0.00002 0.00002 -0.00000 202 4XZ -0.00001 0.00000 0.00001 -0.00000 -0.00001 203 4YZ -0.00001 -0.00000 -0.00000 -0.00001 0.00000 204 18 C 1S 0.00025 -0.00003 0.00004 0.00003 -0.00012 205 2S -0.00048 0.00006 -0.00015 -0.00013 0.00022 206 2PX 0.00073 -0.00007 0.00024 0.00043 -0.00040 207 2PY -0.00013 -0.00012 0.00022 -0.00032 0.00001 208 2PZ -0.00033 0.00008 -0.00023 -0.00016 0.00016 209 3S -0.00119 -0.00003 -0.00020 0.00015 0.00075 210 3PX 0.00065 0.00001 -0.00005 0.00025 -0.00025 211 3PY -0.00014 -0.00014 -0.00007 -0.00003 0.00017 212 3PZ -0.00042 -0.00007 -0.00014 0.00005 -0.00006 213 4XX 0.00001 0.00001 0.00005 -0.00002 -0.00002 214 4YY 0.00001 -0.00000 -0.00004 0.00002 -0.00002 215 4ZZ -0.00001 -0.00000 -0.00001 0.00001 0.00002 216 4XY -0.00002 -0.00001 0.00007 -0.00003 -0.00001 217 4XZ 0.00003 0.00001 -0.00005 0.00004 -0.00000 218 4YZ -0.00003 -0.00001 -0.00003 -0.00000 0.00002 219 19 H 1S -0.00012 -0.00000 -0.00016 0.00013 0.00009 220 2S -0.00005 -0.00016 -0.00037 0.00020 -0.00010 221 20 H 1S 0.00009 0.00010 -0.00026 0.00019 0.00002 222 2S 0.00054 0.00012 -0.00025 0.00027 -0.00008 223 21 H 1S 0.00005 0.00001 0.00003 0.00004 -0.00003 224 2S 0.00004 0.00000 -0.00004 0.00011 -0.00001 225 22 H 1S -0.00016 -0.00001 -0.00009 -0.00012 0.00005 226 2S -0.00031 -0.00002 -0.00022 -0.00015 0.00011 227 23 H 1S 0.00100 0.00015 -0.00041 0.00067 0.00094 228 2S 0.00162 -0.00002 -0.00033 0.00145 0.00117 229 24 H 1S 0.00014 -0.00009 -0.00078 0.00034 -0.00006 230 2S 0.00041 -0.00026 -0.00089 0.00055 0.00008 231 25 H 1S 0.00031 -0.00066 0.00060 -0.00033 -0.00096 232 2S 0.00048 -0.00096 0.00027 0.00014 -0.00213 233 26 H 1S 0.00098 0.00072 0.00084 -0.00032 0.00154 234 2S 0.00122 0.00045 0.00060 -0.00088 0.00147 235 27 H 1S 0.00339 0.00279 0.00466 -0.00062 -0.00509 236 2S 0.00043 0.00251 0.00543 -0.00171 -0.00285 237 28 Br 1S 0.00100 0.00046 -0.00013 0.00006 0.00044 238 2S -0.00455 -0.00159 0.00080 -0.00022 -0.00126 239 3S 0.00255 -0.00010 -0.00085 0.00005 -0.00072 240 4S 0.00368 -0.00084 -0.00152 0.00002 -0.00198 241 5S 0.00205 0.00337 0.00073 0.00020 0.00570 242 6S -0.00248 0.00444 0.00207 0.00080 0.00149 243 7PX -0.00011 0.00062 -0.00010 -0.00105 -0.00013 244 7PY -0.00030 -0.00096 -0.00035 -0.00005 0.00197 245 7PZ 0.00032 -0.00158 0.00020 -0.00017 0.00195 246 8PX 0.00004 -0.00007 0.00216 0.00368 0.00033 247 8PY -0.00236 -0.00353 -0.00041 0.00042 -0.00926 248 8PZ -0.00589 0.00295 -0.00059 0.00131 -0.00708 249 9PX -0.00002 -0.00039 -0.00444 -0.00690 -0.00056 250 9PY 0.00506 0.00834 0.00131 -0.00086 0.01784 251 9PZ 0.01199 -0.00480 0.00117 -0.00266 0.01329 252 10PX -0.00073 -0.00004 -0.00315 -0.00540 -0.00107 253 10PY 0.00355 0.00736 0.00144 -0.00065 0.01391 254 10PZ 0.00681 -0.00290 0.00166 -0.00176 0.00914 255 11XX -0.00108 -0.00028 0.00042 -0.00006 0.00049 256 11YY -0.00130 -0.00058 0.00020 -0.00004 -0.00033 257 11ZZ -0.00291 -0.00026 0.00059 -0.00010 -0.00063 258 11XY -0.00026 -0.00007 0.00014 0.00017 -0.00006 259 11XZ -0.00041 0.00004 0.00040 0.00023 -0.00031 260 11YZ -0.00098 -0.00033 0.00021 0.00001 -0.00114 261 12XX -0.00084 -0.00024 -0.00005 -0.00001 -0.00027 262 12YY -0.00044 -0.00004 -0.00003 -0.00011 0.00049 263 12ZZ 0.00168 -0.00050 -0.00030 -0.00018 0.00147 264 12XY 0.00034 0.00008 -0.00023 -0.00022 0.00012 265 12XZ 0.00045 -0.00002 -0.00061 -0.00033 0.00058 266 12YZ 0.00105 -0.00021 -0.00068 0.00011 0.00129 267 29 C 1S -0.00132 -0.00015 -0.00057 -0.00108 -0.00133 268 2S 0.00245 -0.00033 0.00139 0.00228 0.00272 269 2PX -0.00302 0.00029 -0.00132 -0.00131 -0.00284 270 2PY -0.00543 0.00046 -0.00408 -0.00517 -0.00614 271 2PZ -0.00634 0.00312 -0.00297 -0.00321 -0.00407 272 3S 0.00316 0.00095 0.00082 0.00299 0.00511 273 3PX -0.00170 -0.00009 -0.00072 -0.00079 -0.00191 274 3PY -0.00286 -0.00058 -0.00136 -0.00242 -0.00452 275 3PZ -0.00309 0.00087 -0.00048 -0.00186 -0.00234 276 4XX -0.00021 0.00002 -0.00019 -0.00019 -0.00018 277 4YY -0.00024 -0.00017 0.00019 -0.00010 -0.00010 278 4ZZ 0.00029 0.00013 -0.00001 0.00012 -0.00003 279 4XY 0.00002 -0.00015 0.00009 -0.00008 -0.00020 280 4XZ 0.00025 0.00002 0.00012 0.00011 -0.00004 281 4YZ 0.00022 -0.00019 0.00037 0.00003 0.00022 282 30 H 1S -0.00051 0.00048 -0.00060 -0.00072 0.00053 283 2S -0.00171 0.00053 -0.00110 -0.00147 0.00020 284 31 H 1S -0.00058 0.00169 -0.00041 0.00083 0.00005 285 2S -0.00026 0.00179 -0.00128 0.00041 -0.00140 286 32 H 1S -0.00219 -0.00046 -0.00113 -0.00183 -0.00261 287 2S -0.00212 -0.00048 -0.00049 -0.00213 -0.00227 288 33 H 1S -0.00000 0.00048 0.00011 0.00142 0.00114 289 2S 0.00036 0.00040 0.00040 0.00166 0.00229 290 34 H 1S -0.00165 -0.00128 0.00096 -0.00044 0.00197 291 2S -0.00227 -0.00126 0.00170 -0.00078 0.00172 292 35 H 1S -0.00002 0.00051 0.00023 0.00001 0.00037 293 2S 0.00014 0.00054 0.00022 -0.00012 0.00076 294 36 H 1S 0.00099 -0.00019 -0.00082 0.00046 -0.00071 295 2S 0.00165 -0.00019 -0.00145 0.00093 -0.00117 296 37 H 1S 0.00030 0.00173 -0.00006 -0.00083 0.00029 297 2S 0.00061 0.00215 0.00008 -0.00127 0.00106 298 38 H 1S -0.00091 -0.00048 0.00145 -0.00167 0.00092 299 2S -0.00168 -0.00038 0.00154 -0.00175 0.00112 300 39 H 1S 0.00211 0.00349 -0.00464 -0.00658 0.00403 301 2S 0.00328 0.00404 -0.00275 -0.00415 0.00363 302 40 H 1S -0.00231 -0.00021 0.00740 -0.00186 -0.00134 303 2S -0.00069 0.00025 0.00734 -0.00108 -0.00133 91 92 93 94 95 91 7 C 1S 2.05600 92 2S -0.06539 0.34043 93 2PX -0.00399 0.01714 0.45906 94 2PY 0.00066 0.00716 -0.00357 0.40327 95 2PZ -0.01776 0.03741 -0.03330 -0.06799 0.28778 96 3S -0.22478 0.34866 0.00164 -0.01140 0.02968 97 3PX -0.00358 0.00464 0.19759 0.01832 -0.02763 98 3PY -0.01069 0.00877 -0.01089 0.16067 -0.01093 99 3PZ 0.00465 0.01227 -0.00879 -0.00405 0.14162 100 4XX -0.01653 -0.00184 0.00814 -0.00720 0.00586 101 4YY -0.01499 -0.00532 -0.00923 0.01170 0.00205 102 4ZZ -0.01409 -0.00827 -0.00518 -0.00953 -0.01282 103 4XY -0.00123 0.00206 -0.00579 -0.01606 0.00714 104 4XZ 0.00118 -0.00299 0.00637 0.00694 -0.01243 105 4YZ 0.00336 -0.00745 0.00779 -0.00232 -0.00572 106 8 C 1S 0.01119 -0.02183 -0.06039 0.00517 -0.00661 107 2S -0.02409 0.03913 0.12237 -0.01103 0.01162 108 2PX 0.07109 -0.15402 -0.30688 0.04200 -0.03708 109 2PY -0.01268 0.02292 0.05731 0.01416 0.02091 110 2PZ 0.02141 -0.04572 -0.06019 0.02640 0.03700 111 3S 0.02446 -0.01821 0.08226 -0.00451 0.01296 112 3PX 0.01273 -0.03931 -0.11065 0.02584 -0.01888 113 3PY 0.00253 0.00101 0.02586 -0.00016 0.00752 114 3PZ 0.00046 -0.01230 -0.02521 0.01183 0.00192 115 4XX -0.00762 0.01423 0.01069 -0.00467 0.00463 116 4YY 0.00226 -0.00523 -0.00995 0.00292 -0.00241 117 4ZZ 0.00265 -0.00657 -0.00693 0.00171 -0.00211 118 4XY 0.00114 -0.00274 -0.00440 -0.00865 0.00043 119 4XZ -0.00118 0.00259 0.00634 0.00001 -0.00606 120 4YZ -0.00032 0.00052 0.00037 -0.00132 -0.00063 121 9 C 1S -0.00163 0.00482 0.01053 0.00303 -0.00181 122 2S 0.00567 -0.01151 -0.02526 -0.00580 0.00308 123 2PX -0.01093 0.03456 0.05456 0.00207 -0.00156 124 2PY -0.00433 0.01238 0.02227 0.00566 -0.00604 125 2PZ 0.00027 0.00082 -0.00602 -0.01012 -0.00796 126 3S -0.01248 0.00643 -0.03493 -0.01971 0.01289 127 3PX -0.00163 0.01374 0.03490 0.00028 -0.00419 128 3PY 0.00207 0.00138 0.01361 0.01681 -0.00579 129 3PZ 0.00303 -0.00181 -0.00438 -0.01217 -0.00199 130 4XX -0.00136 0.00267 0.00733 -0.00021 0.00050 131 4YY 0.00051 -0.00119 -0.00313 -0.00030 -0.00065 132 4ZZ 0.00045 -0.00062 -0.00162 0.00035 -0.00021 133 4XY -0.00045 0.00065 0.00136 -0.00008 -0.00090 134 4XZ 0.00019 -0.00031 -0.00136 -0.00041 -0.00077 135 4YZ -0.00092 0.00259 0.00395 -0.00087 -0.00060 136 10 C 1S -0.00306 0.00528 0.00502 0.00333 -0.00254 137 2S 0.00393 -0.01192 -0.01328 -0.00568 0.00752 138 2PX -0.00285 0.00577 -0.01095 0.02129 -0.01116 139 2PY -0.00475 0.01278 0.02248 -0.00740 -0.00390 140 2PZ 0.00676 -0.01940 -0.02205 -0.01045 0.00351 141 3S 0.01835 -0.02354 -0.00482 -0.02199 -0.00594 142 3PX -0.00421 0.00304 -0.01579 0.01315 -0.00257 143 3PY -0.00724 0.01061 0.01118 -0.00848 -0.00068 144 3PZ 0.00661 -0.01187 -0.01156 -0.01404 0.00231 145 4XX -0.00033 0.00022 0.00139 -0.00130 0.00051 146 4YY -0.00051 0.00038 -0.00090 0.00093 -0.00057 147 4ZZ -0.00014 -0.00023 -0.00093 -0.00010 -0.00001 148 4XY -0.00034 0.00018 0.00056 -0.00030 -0.00068 149 4XZ -0.00015 0.00053 -0.00052 0.00127 0.00010 150 4YZ -0.00013 0.00053 0.00109 -0.00039 -0.00007 151 11 C 1S 0.00041 -0.00097 -0.00094 -0.00005 0.00074 152 2S -0.00094 0.00154 0.00165 -0.00048 -0.00180 153 2PX 0.00149 -0.00244 -0.00162 -0.00216 0.00420 154 2PY 0.00231 -0.00519 -0.00554 0.00047 0.00371 155 2PZ -0.00050 0.00219 0.00182 0.00208 -0.00068 156 3S -0.00009 0.00142 0.00501 -0.00138 0.00074 157 3PX -0.00067 0.00044 0.00278 -0.00273 0.00118 158 3PY 0.00080 -0.00275 -0.00628 0.00232 0.00101 159 3PZ -0.00089 0.00110 -0.00062 0.00256 0.00039 160 4XX -0.00002 0.00010 0.00039 -0.00035 0.00014 161 4YY 0.00007 -0.00021 -0.00042 0.00036 0.00002 162 4ZZ 0.00005 -0.00028 -0.00033 -0.00003 0.00003 163 4XY 0.00001 0.00018 0.00007 0.00024 -0.00002 164 4XZ -0.00004 0.00009 0.00006 0.00020 -0.00002 165 4YZ -0.00009 0.00026 0.00044 -0.00013 0.00015 166 12 H 1S 0.00071 -0.00278 -0.00324 -0.00015 -0.00004 167 2S 0.00102 -0.00391 -0.00443 0.00000 -0.00016 168 13 H 1S 0.00038 -0.00010 0.00011 0.00110 0.00140 169 2S 0.00040 0.00101 0.00231 0.00175 0.00104 170 14 C 1S -0.00001 0.00036 -0.00005 0.00088 -0.00027 171 2S -0.00005 -0.00071 0.00047 -0.00188 0.00077 172 2PX -0.00047 0.00105 -0.00024 0.00341 -0.00183 173 2PY 0.00022 0.00113 -0.00033 -0.00039 -0.00053 174 2PZ -0.00015 -0.00014 0.00061 -0.00164 0.00039 175 3S 0.00077 -0.00305 -0.00326 -0.00241 0.00049 176 3PX -0.00038 0.00064 0.00034 0.00113 -0.00082 177 3PY 0.00063 -0.00009 -0.00284 0.00136 0.00025 178 3PZ 0.00091 -0.00104 -0.00036 -0.00057 -0.00010 179 4XX -0.00015 0.00036 0.00042 0.00003 -0.00008 180 4YY 0.00009 -0.00020 -0.00039 0.00008 -0.00004 181 4ZZ 0.00010 -0.00017 -0.00013 0.00007 0.00004 182 4XY -0.00000 0.00004 -0.00020 0.00024 -0.00019 183 4XZ -0.00002 -0.00005 0.00008 -0.00007 0.00014 184 4YZ -0.00005 0.00016 0.00037 -0.00006 0.00019 185 15 H 1S 0.00001 0.00047 -0.00131 0.00115 -0.00154 186 2S 0.00009 0.00042 -0.00198 0.00155 -0.00227 187 16 H 1S 0.00007 -0.00062 0.00014 0.00007 0.00084 188 2S 0.00074 -0.00054 0.00043 0.00142 0.00048 189 17 C 1S -0.00074 0.00215 0.00421 0.00011 0.00028 190 2S 0.00195 -0.00482 -0.00815 -0.00001 -0.00115 191 2PX -0.00296 0.00837 0.01497 -0.00055 0.00317 192 2PY -0.00171 0.00451 0.01092 0.00053 0.00303 193 2PZ 0.00226 -0.00434 -0.00932 0.00139 -0.00051 194 3S 0.00227 -0.00834 -0.02756 -0.00032 0.00117 195 3PX -0.00083 0.00363 0.01129 0.00021 0.00047 196 3PY -0.00202 0.00468 0.01294 -0.00010 0.00093 197 3PZ 0.00115 -0.00320 -0.00740 -0.00106 -0.00050 198 4XX -0.00021 0.00062 0.00118 -0.00001 0.00014 199 4YY 0.00015 -0.00035 -0.00066 -0.00001 -0.00011 200 4ZZ -0.00001 0.00006 0.00034 0.00005 0.00003 201 4XY 0.00007 -0.00023 -0.00062 0.00008 -0.00006 202 4XZ 0.00018 -0.00044 -0.00078 0.00002 0.00007 203 4YZ 0.00004 0.00011 0.00013 0.00004 0.00008 204 18 C 1S 0.00145 -0.00371 -0.00835 0.00050 -0.00182 205 2S -0.00355 0.00809 0.01774 -0.00134 0.00363 206 2PX 0.00503 -0.01735 -0.03169 0.00118 -0.00830 207 2PY -0.00006 0.00201 0.00208 0.00110 -0.00165 208 2PZ -0.00471 0.00794 0.01902 -0.00180 0.00263 209 3S -0.00140 0.00868 0.03672 0.00093 0.00457 210 3PX 0.00023 -0.00505 -0.01033 -0.00164 -0.00429 211 3PY 0.00028 0.00134 0.00876 0.00170 -0.00185 212 3PZ -0.00315 0.00528 0.01022 0.00214 0.00282 213 4XX 0.00055 -0.00087 -0.00160 0.00003 0.00020 214 4YY 0.00000 -0.00002 0.00023 0.00028 -0.00025 215 4ZZ -0.00009 0.00014 0.00036 -0.00014 -0.00011 216 4XY 0.00046 -0.00109 -0.00228 -0.00005 -0.00031 217 4XZ -0.00020 0.00025 0.00092 0.00019 0.00014 218 4YZ -0.00026 0.00092 0.00142 -0.00021 0.00004 219 19 H 1S -0.00007 0.00250 0.00431 -0.00020 0.00112 220 2S -0.00095 0.00334 0.00364 0.00171 -0.00111 221 20 H 1S -0.00192 0.00045 0.00564 0.00007 0.00069 222 2S 0.00061 -0.00360 -0.00284 0.00277 -0.00088 223 21 H 1S 0.00090 -0.00101 -0.00204 0.00083 0.00104 224 2S 0.00040 0.00056 0.00049 0.00135 0.00123 225 22 H 1S -0.00154 0.00402 0.00724 -0.00090 0.00084 226 2S -0.00260 0.00677 0.01354 -0.00092 0.00120 227 23 H 1S -0.00006 0.00132 0.00041 0.00214 0.00247 228 2S -0.00305 0.00615 -0.00190 0.00040 0.00545 229 24 H 1S -0.00269 0.01027 0.00948 -0.00509 -0.00688 230 2S -0.00522 0.01378 0.01651 -0.00191 -0.00952 231 25 H 1S 0.00664 -0.01602 -0.03466 0.00691 -0.01905 232 2S 0.00880 -0.01845 -0.05365 0.02511 -0.01275 233 26 H 1S 0.01318 -0.03263 -0.02080 0.01754 0.00996 234 2S 0.01665 -0.03631 -0.04053 0.01484 -0.00748 235 27 H 1S -0.06097 0.11782 -0.17198 -0.15720 0.14779 236 2S -0.00855 0.01871 -0.11985 -0.10674 0.09858 237 28 Br 1S -0.00086 -0.00028 -0.00077 0.00037 0.00038 238 2S 0.00537 -0.00253 0.00427 -0.00420 -0.00459 239 3S -0.00589 0.00886 -0.00403 0.00727 0.00811 240 4S -0.01123 0.01916 -0.00645 0.01383 0.01553 241 5S 0.00459 -0.02341 -0.00078 -0.01132 -0.03332 242 6S 0.03514 -0.05498 0.02586 -0.01079 0.05802 243 7PX -0.00269 -0.00279 -0.00681 -0.00749 -0.01382 244 7PY -0.00057 0.00240 -0.00012 -0.00970 -0.00156 245 7PZ -0.00625 -0.00128 -0.00602 -0.02236 -0.04761 246 8PX 0.00600 -0.00193 0.01982 0.02290 0.04630 247 8PY 0.00135 -0.00792 0.00133 0.02719 0.00753 248 8PZ 0.01457 -0.01645 0.01854 0.06710 0.15241 249 9PX -0.00901 0.00502 -0.03829 -0.04234 -0.08503 250 9PY -0.00144 0.01345 -0.00255 -0.05112 -0.01282 251 9PZ -0.02088 0.03075 -0.03141 -0.12121 -0.28073 252 10PX -0.00094 -0.00543 -0.04185 -0.02987 -0.05002 253 10PY 0.00228 0.00531 0.00417 -0.05589 0.00919 254 10PZ 0.00210 -0.00426 -0.00356 -0.08634 -0.17659 255 11XX 0.00086 0.00071 -0.00364 -0.00324 -0.00739 256 11YY 0.00054 0.00162 0.00136 -0.00646 -0.00503 257 11ZZ 0.00705 -0.01083 0.00880 0.00145 0.00415 258 11XY 0.00066 -0.00139 -0.00071 -0.00160 0.00220 259 11XZ 0.00228 -0.00443 -0.00549 0.00135 0.00670 260 11YZ 0.00174 -0.00369 0.00281 -0.00685 0.00940 261 12XX 0.00047 -0.00197 0.01012 0.00274 -0.00020 262 12YY 0.00071 -0.00364 -0.00107 0.00701 -0.00497 263 12ZZ -0.00816 0.01709 -0.01524 -0.01114 -0.03252 264 12XY -0.00109 0.00260 0.00039 0.00332 -0.00520 265 12XZ -0.00290 0.00786 0.01232 -0.00418 -0.01563 266 12YZ -0.00255 0.00587 -0.00509 0.01295 -0.02273 267 29 C 1S 0.00002 0.00017 0.00072 0.00219 0.00382 268 2S 0.00045 0.00129 -0.00119 -0.00187 -0.00836 269 2PX 0.00123 -0.00264 0.00120 -0.00250 0.00515 270 2PY -0.00183 0.00239 0.00322 0.01210 0.01541 271 2PZ 0.00229 -0.00656 0.00079 -0.00234 0.01167 272 3S -0.00294 0.00292 -0.00079 -0.01224 -0.01244 273 3PX 0.00153 -0.00145 0.00087 -0.00396 0.00146 274 3PY -0.00085 0.00197 0.00021 0.01374 0.01023 275 3PZ 0.00243 -0.00537 0.00236 -0.00565 0.00631 276 4XX 0.00015 -0.00002 0.00035 0.00022 0.00043 277 4YY 0.00038 -0.00081 0.00052 -0.00072 0.00120 278 4ZZ -0.00013 0.00068 -0.00038 0.00105 -0.00086 279 4XY 0.00011 -0.00036 0.00008 -0.00036 0.00088 280 4XZ 0.00001 -0.00019 -0.00025 -0.00034 -0.00012 281 4YZ 0.00024 -0.00053 0.00012 -0.00155 -0.00002 282 30 H 1S -0.00059 0.00142 0.00055 0.00216 -0.00029 283 2S 0.00040 0.00012 0.00161 -0.00071 0.00079 284 31 H 1S 0.00093 -0.00145 -0.00092 -0.00131 -0.00227 285 2S -0.00023 0.00132 -0.00408 0.01064 0.00028 286 32 H 1S 0.00030 -0.00071 0.00166 0.00128 0.00705 287 2S 0.00133 -0.00415 0.00132 -0.00383 0.00994 288 33 H 1S -0.00008 0.00014 -0.00098 0.00106 -0.00327 289 2S -0.00067 0.00184 -0.00194 -0.00098 0.00142 290 34 H 1S 0.00346 -0.00762 0.00375 -0.01402 0.00293 291 2S 0.00566 -0.01198 0.00568 -0.02568 0.00838 292 35 H 1S 0.00090 -0.00105 0.00062 -0.00247 -0.00023 293 2S 0.00019 -0.00018 -0.00190 -0.00163 -0.00254 294 36 H 1S -0.00165 0.00485 -0.00373 0.00489 0.00158 295 2S -0.00240 0.00643 -0.00698 0.00880 0.00093 296 37 H 1S -0.00015 0.00051 -0.00323 0.00002 -0.00466 297 2S -0.00054 0.00236 -0.00036 0.00015 -0.00119 298 38 H 1S 0.00281 -0.00599 0.00659 -0.01207 0.00330 299 2S 0.00442 -0.00866 0.01449 -0.02082 0.00611 300 39 H 1S -0.00075 0.00256 -0.00340 -0.00467 -0.01847 301 2S -0.00218 0.00564 -0.00835 -0.00089 -0.01787 302 40 H 1S 0.00655 -0.01617 0.02131 -0.01161 0.00267 303 2S 0.00487 -0.01249 0.01297 -0.01843 0.00592 96 97 98 99 100 96 3S 0.43350 97 3PX -0.00046 0.09814 98 3PY 0.01590 -0.00073 0.07579 99 3PZ -0.00365 -0.00402 0.00306 0.07996 100 4XX -0.00270 0.00138 -0.00242 0.00223 0.00105 101 4YY -0.00451 -0.00300 0.00397 0.00138 -0.00033 102 4ZZ -0.00598 -0.00110 -0.00420 -0.00630 -0.00024 103 4XY 0.00550 -0.00400 -0.00531 0.00163 0.00014 104 4XZ -0.00560 0.00313 0.00166 -0.00518 -0.00010 105 4YZ -0.00513 0.00252 -0.00104 -0.00385 0.00016 106 8 C 1S 0.01408 -0.00631 -0.00073 0.00044 -0.00625 107 2S 0.00042 0.02874 0.00365 -0.00157 0.01027 108 2PX -0.15150 -0.13975 0.02214 -0.02409 -0.00275 109 2PY 0.06232 0.00423 0.02074 0.00091 0.00290 110 2PZ -0.06710 -0.01542 0.01311 0.02953 -0.00430 111 3S -0.07766 -0.00333 0.00592 -0.00213 0.01213 112 3PX -0.02792 -0.04581 0.01285 -0.01057 -0.00181 113 3PY 0.01931 -0.00222 0.00529 -0.00248 0.00164 114 3PZ -0.02015 -0.00514 0.00547 0.00464 -0.00234 115 4XX 0.01652 0.00485 -0.00245 0.00245 0.00007 116 4YY -0.00645 -0.00432 0.00080 -0.00160 -0.00004 117 4ZZ -0.00767 -0.00242 0.00129 -0.00049 -0.00032 118 4XY -0.00130 -0.00265 -0.00354 -0.00065 0.00012 119 4XZ 0.00269 0.00309 -0.00063 -0.00324 -0.00010 120 4YZ -0.00059 0.00053 -0.00150 -0.00019 0.00001 121 9 C 1S -0.00275 0.00587 -0.00050 0.00133 -0.00103 122 2S -0.00453 -0.01642 -0.00146 -0.00021 0.00177 123 2PX 0.02865 0.05154 -0.02840 0.02350 -0.00495 124 2PY -0.00090 0.02540 -0.00328 -0.00383 -0.00408 125 2PZ -0.00601 -0.00773 -0.02573 -0.00999 0.00180 126 3S 0.01722 -0.01688 -0.00579 0.00418 0.00089 127 3PX 0.00979 0.02556 -0.01241 0.00798 -0.00171 128 3PY -0.00556 0.01143 0.00421 -0.00261 -0.00119 129 3PZ -0.00257 -0.00206 -0.01486 -0.00457 0.00058 130 4XX 0.00283 0.00313 0.00028 0.00023 0.00016 131 4YY -0.00140 -0.00129 -0.00022 -0.00038 0.00007 132 4ZZ -0.00148 -0.00056 -0.00037 -0.00009 -0.00018 133 4XY 0.00001 -0.00118 0.00012 -0.00138 0.00036 134 4XZ -0.00010 0.00029 -0.00031 -0.00068 -0.00013 135 4YZ 0.00193 0.00255 -0.00245 0.00041 -0.00014 136 10 C 1S 0.01421 0.00474 0.00217 -0.00153 -0.00040 137 2S -0.01358 -0.00511 0.00083 0.00099 0.00038 138 2PX 0.03445 -0.00662 0.02286 -0.00972 -0.00171 139 2PY 0.02428 0.01237 -0.01821 0.00583 0.00075 140 2PZ -0.02295 -0.00290 0.00614 0.00121 -0.00054 141 3S -0.02718 -0.00205 -0.00595 -0.00829 0.00109 142 3PX 0.01642 -0.00823 0.01167 -0.00334 -0.00103 143 3PY 0.01103 0.00455 -0.01268 0.00299 0.00093 144 3PZ -0.01187 0.00031 -0.00004 0.00141 -0.00057 145 4XX -0.00066 0.00151 -0.00169 0.00109 -0.00012 146 4YY 0.00152 -0.00128 0.00131 -0.00041 0.00011 147 4ZZ -0.00081 -0.00075 -0.00020 -0.00065 0.00003 148 4XY 0.00030 0.00025 -0.00047 -0.00071 -0.00004 149 4XZ 0.00070 -0.00030 0.00097 0.00021 -0.00004 150 4YZ -0.00103 0.00058 -0.00118 0.00026 -0.00002 151 11 C 1S -0.00315 -0.00188 0.00021 0.00028 0.00000 152 2S 0.00539 0.00121 -0.00145 -0.00077 0.00004 153 2PX -0.02243 0.00243 -0.00290 0.00264 0.00021 154 2PY -0.02116 -0.00619 0.00339 0.00274 -0.00002 155 2PZ 0.00049 -0.00542 -0.00177 0.00170 0.00018 156 3S 0.01190 0.00651 0.00015 0.00147 -0.00045 157 3PX -0.01075 0.00437 -0.00388 0.00186 0.00002 158 3PY -0.00996 -0.00593 0.00370 0.00037 0.00023 159 3PZ -0.00046 -0.00349 0.00074 0.00137 0.00001 160 4XX 0.00010 0.00022 -0.00056 0.00017 0.00007 161 4YY 0.00006 -0.00021 0.00056 -0.00015 -0.00005 162 4ZZ -0.00097 -0.00027 0.00012 0.00008 -0.00002 163 4XY 0.00034 -0.00044 -0.00005 -0.00002 0.00002 164 4XZ -0.00007 -0.00011 0.00012 -0.00006 -0.00001 165 4YZ -0.00072 -0.00025 -0.00052 0.00016 0.00007 166 12 H 1S -0.00092 0.00040 0.00333 -0.00079 -0.00035 167 2S -0.00355 0.00068 0.00386 -0.00092 -0.00064 168 13 H 1S -0.00947 -0.00446 -0.00098 0.00192 0.00013 169 2S -0.00885 -0.00405 -0.00163 0.00101 0.00015 170 14 C 1S -0.00068 -0.00192 0.00071 0.00023 -0.00011 171 2S 0.00336 0.00383 -0.00038 -0.00033 0.00016 172 2PX 0.00967 -0.00392 0.00317 -0.00027 -0.00022 173 2PY -0.01336 -0.00538 -0.00310 0.00031 0.00013 174 2PZ 0.00412 0.00657 -0.00300 0.00039 0.00028 175 3S 0.00453 0.00070 0.00216 -0.00210 0.00061 176 3PX 0.00697 -0.00033 0.00114 -0.00028 -0.00023 177 3PY -0.00811 -0.00457 -0.00136 0.00048 0.00014 178 3PZ 0.00186 0.00190 -0.00101 -0.00054 0.00029 179 4XX 0.00082 0.00050 -0.00020 0.00014 -0.00003 180 4YY -0.00076 -0.00052 0.00012 -0.00019 0.00001 181 4ZZ -0.00032 -0.00030 0.00009 0.00004 0.00000 182 4XY -0.00012 -0.00076 0.00017 -0.00022 -0.00000 183 4XZ 0.00034 0.00030 0.00005 0.00019 -0.00001 184 4YZ -0.00005 0.00032 -0.00012 0.00029 -0.00001 185 15 H 1S -0.00192 -0.00557 0.00062 -0.00141 0.00003 186 2S -0.00268 -0.00707 0.00103 -0.00237 0.00000 187 16 H 1S 0.00059 -0.00040 0.00182 0.00026 -0.00009 188 2S -0.00267 -0.00211 0.00105 0.00081 -0.00006 189 17 C 1S 0.00340 0.00385 -0.00162 0.00233 -0.00019 190 2S -0.00763 -0.00767 0.00162 -0.00384 0.00050 191 2PX 0.01636 0.01686 -0.00572 0.01222 -0.00089 192 2PY 0.01511 0.01274 -0.00326 0.01025 -0.00057 193 2PZ -0.02210 -0.01687 0.00208 -0.00291 0.00042 194 3S -0.01270 -0.01680 0.00273 -0.00293 0.00073 195 3PX 0.00857 0.00981 -0.00212 0.00530 -0.00049 196 3PY 0.00899 0.01014 -0.00197 0.00506 -0.00048 197 3PZ -0.01031 -0.00946 0.00132 -0.00197 0.00028 198 4XX 0.00036 0.00096 -0.00042 0.00054 -0.00006 199 4YY -0.00033 -0.00052 0.00018 -0.00038 0.00003 200 4ZZ 0.00062 0.00029 0.00010 0.00016 -0.00002 201 4XY -0.00124 -0.00125 0.00022 -0.00032 0.00003 202 4XZ -0.00054 -0.00060 0.00012 -0.00000 0.00003 203 4YZ -0.00095 -0.00024 -0.00046 0.00056 -0.00002 204 18 C 1S -0.00555 -0.00615 0.00111 -0.00225 0.00029 205 2S 0.01181 0.01220 -0.00169 0.00496 -0.00054 206 2PX -0.01546 -0.02460 0.01592 -0.02764 0.00154 207 2PY -0.01706 -0.00805 -0.00178 -0.00210 -0.00002 208 2PZ 0.04364 0.02941 0.00305 0.00255 -0.00062 209 3S 0.01174 0.02062 -0.00199 0.00682 -0.00037 210 3PX -0.00353 -0.01014 0.00648 -0.01339 0.00068 211 3PY -0.00673 -0.00041 -0.00030 -0.00156 -0.00011 212 3PZ 0.02070 0.01412 0.00245 0.00219 -0.00020 213 4XX -0.00066 -0.00116 0.00041 0.00015 0.00008 214 4YY -0.00042 0.00010 0.00016 -0.00033 -0.00004 215 4ZZ 0.00057 0.00051 -0.00039 -0.00008 -0.00000 216 4XY -0.00266 -0.00239 0.00001 -0.00066 0.00013 217 4XZ 0.00081 0.00064 0.00077 -0.00009 -0.00004 218 4YZ -0.00124 0.00017 -0.00145 0.00097 -0.00005 219 19 H 1S -0.00915 -0.00170 -0.00605 0.00566 -0.00023 220 2S -0.00951 -0.00216 -0.00636 0.00344 -0.00034 221 20 H 1S 0.02708 0.01484 0.00812 -0.00420 -0.00019 222 2S 0.01937 0.00897 0.01053 -0.00541 -0.00030 223 21 H 1S -0.00728 -0.00491 -0.00099 0.00343 0.00002 224 2S -0.00657 -0.00342 -0.00210 0.00406 -0.00007 225 22 H 1S 0.00792 0.00931 -0.00314 0.00405 -0.00034 226 2S 0.00949 0.01336 -0.00441 0.00554 -0.00052 227 23 H 1S -0.00745 -0.00287 -0.00087 -0.00121 0.00023 228 2S -0.00394 -0.00352 -0.00374 0.00163 -0.00007 229 24 H 1S 0.00110 0.00971 -0.02085 -0.00271 -0.00078 230 2S 0.00025 0.01118 -0.01840 -0.00288 -0.00092 231 25 H 1S -0.04796 -0.01528 -0.00240 -0.00996 0.00215 232 2S -0.03310 -0.01944 0.00473 -0.00653 -0.00075 233 26 H 1S -0.05917 -0.00981 0.01248 0.00930 0.00006 234 2S -0.04371 -0.01179 0.01049 0.00092 -0.00255 235 27 H 1S 0.13482 -0.08573 -0.05024 0.05712 0.00095 236 2S 0.02628 -0.05814 -0.03281 0.03860 0.00054 237 28 Br 1S 0.00948 0.00707 0.00625 0.00143 0.00061 238 2S -0.05159 -0.03201 -0.02922 -0.00439 -0.00313 239 3S 0.04620 0.01823 0.01841 -0.00166 0.00251 240 4S 0.07846 0.02543 0.02686 -0.00522 0.00408 241 5S -0.03741 0.01065 0.00649 0.00841 -0.00219 242 6S -0.07108 0.01838 0.00682 0.04778 0.00123 243 7PX 0.04418 0.01016 0.01184 -0.01773 -0.00233 244 7PY -0.02650 0.01104 -0.00947 0.00864 -0.00024 245 7PZ 0.05255 0.00700 0.00596 -0.04260 -0.00358 246 8PX -0.05997 -0.01400 -0.00632 0.03056 0.00562 247 8PY 0.04766 -0.01608 0.01683 -0.02026 -0.00114 248 8PZ -0.05312 0.00963 0.02880 0.09824 0.00287 249 9PX 0.08383 0.01927 0.00129 -0.04719 -0.00999 250 9PY -0.07531 0.02268 -0.02670 0.03546 0.00266 251 9PZ 0.05550 -0.02669 -0.06836 -0.16854 -0.00308 252 10PX 0.05441 0.01030 0.00405 -0.02753 -0.00770 253 10PY -0.06040 0.01941 -0.02544 0.03597 0.00278 254 10PZ 0.01110 -0.01203 -0.04768 -0.10767 -0.00131 255 11XX -0.01572 -0.01703 -0.01536 -0.00417 -0.00162 256 11YY -0.01471 -0.01605 -0.01454 -0.00636 -0.00164 257 11ZZ -0.04187 -0.00408 -0.00533 0.00892 -0.00085 258 11XY -0.00178 0.00098 -0.00126 0.00203 0.00026 259 11XZ -0.01070 -0.00644 0.00273 0.00510 0.00033 260 11YZ -0.00451 0.00077 -0.00408 0.00507 0.00030 261 12XX -0.00659 0.00000 -0.00156 0.00000 -0.00034 262 12YY -0.01452 -0.00237 -0.00113 0.00102 -0.00067 263 12ZZ 0.01508 -0.01057 -0.00826 -0.01745 -0.00135 264 12XY 0.00371 0.00158 0.00151 -0.00216 -0.00046 265 12XZ 0.01152 0.00714 -0.00211 -0.00785 -0.00045 266 12YZ 0.00098 0.00024 0.00382 -0.00805 -0.00064 267 29 C 1S -0.00093 -0.00055 0.00014 0.00178 -0.00004 268 2S -0.00181 -0.00232 -0.00053 -0.00324 0.00039 269 2PX -0.00250 0.00180 -0.00301 0.00757 -0.00019 270 2PY 0.00179 0.00518 0.00417 0.00484 -0.00073 271 2PZ -0.00928 0.00559 -0.00262 0.01665 -0.00034 272 3S -0.00330 0.00034 -0.00500 -0.00351 0.00072 273 3PX -0.00006 0.00148 -0.00327 0.00224 -0.00018 274 3PY 0.00431 0.00085 0.00622 0.00202 -0.00058 275 3PZ -0.00496 0.00248 -0.00269 0.00762 -0.00016 276 4XX -0.00002 0.00034 0.00000 0.00002 -0.00002 277 4YY -0.00151 0.00062 -0.00096 0.00046 -0.00009 278 4ZZ 0.00174 -0.00061 0.00115 -0.00005 0.00006 279 4XY 0.00002 -0.00006 -0.00026 0.00005 -0.00007 280 4XZ 0.00053 -0.00036 0.00023 -0.00005 -0.00002 281 4YZ -0.00081 0.00004 -0.00094 -0.00065 -0.00001 282 30 H 1S -0.00249 0.00202 0.00013 -0.00106 0.00004 283 2S -0.00498 0.00430 -0.00345 0.00040 -0.00003 284 31 H 1S -0.00160 -0.00029 0.00018 0.00705 0.00026 285 2S 0.00532 -0.00299 0.00756 0.00645 0.00012 286 32 H 1S -0.00243 0.00175 -0.00138 0.00266 -0.00042 287 2S -0.00672 0.00142 -0.00416 0.00356 -0.00055 288 33 H 1S -0.00102 0.00432 -0.00376 -0.00365 0.00008 289 2S -0.00476 0.00441 -0.00564 -0.00005 0.00015 290 34 H 1S -0.02456 0.00150 -0.01295 0.00298 -0.00049 291 2S -0.02887 0.00213 -0.01740 0.00524 -0.00041 292 35 H 1S -0.01177 0.00554 -0.00848 0.00212 0.00010 293 2S -0.00867 0.00514 -0.00802 0.00038 -0.00002 294 36 H 1S 0.00837 -0.00093 0.00182 0.00225 0.00002 295 2S 0.01609 -0.00230 0.00579 0.00139 -0.00016 296 37 H 1S 0.00580 0.00372 -0.00305 -0.00005 -0.00031 297 2S 0.00025 0.00363 -0.00438 0.00265 0.00016 298 38 H 1S -0.02459 0.00430 -0.01096 0.00099 0.00098 299 2S -0.02728 0.00658 -0.01409 0.00281 0.00156 300 39 H 1S 0.01354 0.00444 -0.00116 -0.00896 -0.00086 301 2S 0.01075 0.00067 -0.00122 -0.00583 -0.00064 302 40 H 1S -0.03410 -0.00116 0.00342 -0.00697 0.00041 303 2S -0.02652 -0.00483 -0.00240 -0.00461 0.00006 101 102 103 104 105 101 4YY 0.00121 102 4ZZ -0.00035 0.00184 103 4XY -0.00041 0.00032 0.00157 104 4XZ -0.00022 0.00067 -0.00053 0.00150 105 4YZ -0.00011 0.00024 -0.00010 0.00029 0.00088 106 8 C 1S 0.00215 0.00164 0.00137 -0.00163 -0.00036 107 2S -0.00504 -0.00413 -0.00229 0.00296 0.00075 108 2PX 0.00819 0.00557 0.00274 -0.00350 -0.00137 109 2PY -0.00614 0.00079 0.01302 0.00029 0.00222 110 2PZ 0.00030 0.00912 0.00037 0.01299 -0.00109 111 3S -0.00428 -0.00458 -0.00194 0.00312 0.00140 112 3PX 0.00325 0.00192 0.00137 -0.00210 -0.00110 113 3PY -0.00285 0.00066 0.00690 0.00040 0.00194 114 3PZ -0.00020 0.00505 0.00043 0.00753 -0.00043 115 4XX -0.00042 -0.00043 0.00039 -0.00036 -0.00013 116 4YY 0.00059 -0.00031 -0.00042 -0.00053 -0.00010 117 4ZZ 0.00002 0.00090 -0.00003 0.00089 0.00002 118 4XY -0.00024 0.00041 0.00068 -0.00023 0.00010 119 4XZ -0.00019 0.00020 -0.00021 0.00031 0.00019 120 4YZ 0.00018 -0.00016 -0.00042 -0.00016 0.00001 121 9 C 1S 0.00029 0.00014 -0.00126 0.00085 -0.00003 122 2S -0.00042 0.00006 0.00292 -0.00183 -0.00002 123 2PX 0.00193 0.00165 -0.00655 0.00345 -0.00036 124 2PY 0.00191 0.00006 -0.00567 0.00285 -0.00064 125 2PZ 0.00051 -0.00061 0.00223 -0.00179 0.00126 126 3S -0.00046 0.00010 0.00260 -0.00186 -0.00096 127 3PX 0.00028 0.00084 -0.00280 0.00160 0.00006 128 3PY 0.00132 -0.00116 -0.00296 0.00066 -0.00030 129 3PZ 0.00032 -0.00025 0.00110 -0.00160 0.00058 130 4XX -0.00027 -0.00015 0.00005 0.00006 0.00006 131 4YY 0.00013 -0.00007 -0.00016 -0.00013 -0.00006 132 4ZZ 0.00011 0.00020 -0.00009 0.00022 0.00002 133 4XY -0.00011 -0.00018 0.00017 -0.00021 0.00008 134 4XZ 0.00014 -0.00008 -0.00020 -0.00013 -0.00003 135 4YZ 0.00008 -0.00011 -0.00022 -0.00013 0.00006 136 10 C 1S -0.00028 -0.00034 -0.00008 0.00000 -0.00006 137 2S 0.00015 -0.00019 -0.00005 0.00016 -0.00007 138 2PX 0.00106 0.00098 -0.00007 0.00100 -0.00048 139 2PY -0.00070 -0.00019 0.00016 -0.00042 0.00045 140 2PZ -0.00064 0.00050 -0.00029 0.00026 -0.00144 141 3S -0.00114 0.00110 -0.00062 0.00197 0.00092 142 3PX 0.00110 0.00043 -0.00018 0.00086 -0.00001 143 3PY -0.00045 -0.00034 -0.00041 0.00011 0.00041 144 3PZ -0.00080 0.00114 -0.00012 -0.00044 -0.00082 145 4XX 0.00006 0.00005 -0.00001 0.00002 -0.00014 146 4YY -0.00010 0.00002 0.00006 -0.00005 0.00006 147 4ZZ 0.00008 -0.00004 0.00002 -0.00002 0.00008 148 4XY 0.00008 0.00002 0.00017 -0.00010 -0.00003 149 4XZ 0.00000 -0.00000 -0.00019 0.00005 -0.00001 150 4YZ 0.00003 0.00005 -0.00017 0.00008 0.00009 151 11 C 1S -0.00008 -0.00008 -0.00031 0.00009 0.00001 152 2S -0.00002 0.00010 0.00055 -0.00017 0.00002 153 2PX -0.00041 -0.00024 -0.00076 0.00012 -0.00013 154 2PY -0.00027 -0.00003 -0.00080 0.00019 0.00018 155 2PZ -0.00002 0.00030 0.00069 -0.00035 0.00033 156 3S -0.00016 0.00029 0.00170 -0.00130 -0.00073 157 3PX -0.00016 0.00004 -0.00092 0.00065 -0.00002 158 3PY -0.00026 -0.00000 -0.00078 0.00059 0.00034 159 3PZ -0.00001 0.00014 0.00033 -0.00026 -0.00005 160 4XX -0.00004 -0.00004 0.00002 -0.00004 0.00003 161 4YY 0.00004 0.00002 -0.00000 0.00003 -0.00001 162 4ZZ 0.00000 0.00001 -0.00004 0.00001 -0.00001 163 4XY 0.00002 0.00000 0.00004 -0.00002 0.00003 164 4XZ 0.00002 -0.00000 -0.00000 0.00001 0.00002 165 4YZ -0.00003 -0.00001 0.00006 -0.00005 0.00006 166 12 H 1S 0.00012 0.00004 -0.00031 0.00022 -0.00020 167 2S 0.00031 0.00016 -0.00062 0.00041 -0.00035 168 13 H 1S -0.00007 0.00007 0.00022 -0.00020 0.00029 169 2S 0.00016 -0.00019 0.00010 -0.00018 0.00047 170 14 C 1S 0.00014 0.00009 -0.00003 0.00007 -0.00000 171 2S -0.00021 -0.00021 0.00004 -0.00009 -0.00005 172 2PX 0.00034 0.00019 0.00007 0.00012 0.00025 173 2PY 0.00002 0.00002 -0.00019 -0.00003 0.00003 174 2PZ -0.00012 -0.00020 0.00010 -0.00013 -0.00006 175 3S -0.00062 -0.00034 0.00024 -0.00037 0.00009 176 3PX 0.00029 0.00009 0.00016 -0.00011 0.00010 177 3PY 0.00011 -0.00015 -0.00014 -0.00020 0.00008 178 3PZ -0.00010 -0.00015 0.00025 -0.00014 0.00014 179 4XX 0.00002 0.00001 -0.00001 0.00003 -0.00001 180 4YY 0.00001 -0.00001 -0.00001 -0.00002 0.00001 181 4ZZ -0.00000 0.00001 0.00002 -0.00001 0.00001 182 4XY 0.00002 0.00001 0.00003 -0.00001 0.00002 183 4XZ -0.00000 0.00000 -0.00002 0.00002 -0.00000 184 4YZ -0.00001 0.00001 -0.00002 0.00002 0.00000 185 15 H 1S 0.00015 0.00004 0.00009 -0.00006 0.00013 186 2S 0.00022 0.00011 0.00027 -0.00005 0.00008 187 16 H 1S -0.00009 0.00002 0.00000 0.00004 0.00001 188 2S 0.00002 0.00006 0.00005 0.00009 0.00018 189 17 C 1S 0.00002 0.00015 -0.00018 0.00025 -0.00002 190 2S -0.00007 -0.00022 0.00047 -0.00054 0.00008 191 2PX 0.00012 0.00064 -0.00090 0.00101 -0.00025 192 2PY -0.00002 0.00052 -0.00028 0.00081 -0.00004 193 2PZ -0.00008 0.00001 0.00070 -0.00048 0.00013 194 3S 0.00029 -0.00045 0.00045 -0.00118 -0.00034 195 3PX -0.00010 0.00049 -0.00029 0.00068 0.00000 196 3PY -0.00016 0.00043 -0.00041 0.00090 0.00002 197 3PZ -0.00010 0.00012 0.00048 -0.00038 0.00000 198 4XX 0.00000 0.00003 -0.00008 0.00006 -0.00002 199 4YY 0.00000 -0.00002 0.00006 -0.00004 0.00001 200 4ZZ -0.00000 0.00001 0.00000 0.00001 0.00001 201 4XY -0.00000 0.00000 0.00005 -0.00002 0.00002 202 4XZ -0.00000 0.00000 0.00007 -0.00002 0.00001 203 4YZ 0.00002 0.00004 -0.00001 0.00002 0.00000 204 18 C 1S 0.00023 -0.00019 0.00013 -0.00041 -0.00001 205 2S -0.00046 0.00038 -0.00025 0.00084 0.00003 206 2PX -0.00004 -0.00159 0.00149 -0.00182 0.00026 207 2PY -0.00002 0.00003 -0.00068 -0.00024 0.00004 208 2PZ -0.00057 -0.00023 -0.00076 0.00028 -0.00022 209 3S -0.00080 0.00010 0.00013 0.00143 0.00032 210 3PX -0.00022 -0.00057 0.00080 -0.00069 0.00019 211 3PY -0.00017 0.00017 -0.00025 0.00011 0.00032 212 3PZ -0.00008 -0.00064 -0.00054 -0.00009 -0.00011 213 4XX -0.00002 -0.00000 0.00011 -0.00012 -0.00001 214 4YY 0.00003 -0.00002 -0.00009 0.00004 -0.00000 215 4ZZ 0.00000 0.00001 0.00002 0.00003 0.00002 216 4XY 0.00002 -0.00005 0.00012 -0.00015 0.00002 217 4XZ -0.00004 0.00000 -0.00003 0.00009 -0.00001 218 4YZ 0.00004 0.00006 -0.00007 0.00006 0.00002 219 19 H 1S 0.00026 0.00044 0.00005 0.00059 0.00013 220 2S 0.00059 0.00017 -0.00043 0.00008 0.00028 221 20 H 1S -0.00044 -0.00034 0.00006 0.00027 -0.00008 222 2S -0.00022 -0.00011 -0.00015 0.00042 -0.00015 223 21 H 1S 0.00001 0.00027 0.00029 0.00005 0.00005 224 2S 0.00012 0.00018 0.00015 0.00014 0.00009 225 22 H 1S 0.00005 0.00014 -0.00063 0.00035 -0.00016 226 2S 0.00000 0.00019 -0.00098 0.00064 -0.00016 227 23 H 1S 0.00040 0.00000 -0.00036 -0.00026 0.00069 228 2S 0.00046 0.00010 -0.00074 -0.00092 0.00065 229 24 H 1S 0.00133 -0.00040 -0.00159 -0.00031 0.00038 230 2S 0.00140 -0.00057 -0.00243 0.00002 0.00050 231 25 H 1S 0.00397 -0.00392 -0.00837 -0.00288 -0.00116 232 2S 0.00505 -0.00328 -0.00614 -0.00293 -0.00075 233 26 H 1S -0.00096 0.00576 -0.00107 0.00971 -0.00026 234 2S -0.00009 0.00641 -0.00053 0.00707 0.00012 235 27 H 1S -0.00134 -0.00190 0.01193 -0.01125 -0.00717 236 2S 0.00003 -0.00020 0.00882 -0.00862 -0.00454 237 28 Br 1S 0.00047 0.00090 0.00008 0.00033 0.00033 238 2S -0.00254 -0.00308 -0.00011 -0.00099 -0.00078 239 3S 0.00228 -0.00020 -0.00044 -0.00041 -0.00095 240 4S 0.00376 -0.00177 -0.00097 -0.00129 -0.00246 241 5S -0.00224 0.00932 0.00183 0.00472 0.00535 242 6S 0.00022 0.00180 0.00100 -0.00016 0.00424 243 7PX -0.00130 0.00141 -0.00082 -0.00092 0.00023 244 7PY -0.00252 0.00171 0.00002 0.00052 -0.00187 245 7PZ -0.00345 0.00253 0.00026 0.00428 0.00135 246 8PX 0.00157 -0.00712 0.00135 0.00465 -0.00125 247 8PY 0.00611 -0.00551 0.00031 -0.00113 0.00744 248 8PZ 0.00473 -0.00988 -0.00239 -0.00971 -0.00416 249 9PX -0.00225 0.01364 -0.00200 -0.00910 0.00239 250 9PY -0.01076 0.00992 -0.00059 0.00175 -0.01416 251 9PZ -0.00709 0.01786 0.00476 0.01665 0.00760 252 10PX -0.00129 0.01021 -0.00185 -0.00780 0.00149 253 10PY -0.00868 0.00735 0.00045 0.00034 -0.01037 254 10PZ -0.00466 0.01173 0.00349 0.01208 0.00637 255 11XX -0.00136 -0.00094 0.00023 -0.00011 -0.00025 256 11YY -0.00157 -0.00138 0.00032 -0.00046 0.00012 257 11ZZ -0.00058 0.00008 -0.00031 0.00007 0.00018 258 11XY 0.00011 -0.00010 0.00007 0.00012 0.00008 259 11XZ 0.00060 0.00042 0.00019 0.00021 -0.00012 260 11YZ 0.00011 -0.00014 0.00045 -0.00049 0.00037 261 12XX -0.00032 -0.00054 -0.00017 -0.00026 0.00032 262 12YY -0.00047 0.00037 -0.00027 0.00054 -0.00071 263 12ZZ -0.00136 0.00221 0.00064 0.00157 0.00024 264 12XY -0.00003 0.00041 -0.00002 0.00002 -0.00013 265 12XZ -0.00061 0.00091 -0.00024 0.00024 0.00041 266 12YZ -0.00047 0.00132 -0.00087 0.00155 -0.00059 267 29 C 1S 0.00041 -0.00029 0.00003 -0.00029 -0.00028 268 2S -0.00068 0.00084 -0.00022 0.00063 0.00048 269 2PX 0.00036 -0.00008 0.00043 -0.00036 -0.00027 270 2PY 0.00090 -0.00191 0.00010 -0.00117 -0.00278 271 2PZ 0.00046 -0.00084 0.00060 -0.00084 -0.00102 272 3S -0.00195 0.00208 -0.00059 0.00069 0.00041 273 3PX 0.00033 -0.00016 0.00010 -0.00039 -0.00008 274 3PY 0.00117 -0.00181 0.00014 -0.00073 -0.00135 275 3PZ 0.00037 -0.00049 0.00061 -0.00048 -0.00053 276 4XX 0.00004 -0.00008 0.00000 -0.00005 -0.00009 277 4YY 0.00020 -0.00007 0.00015 -0.00011 -0.00004 278 4ZZ -0.00014 0.00004 -0.00011 0.00008 0.00009 279 4XY 0.00016 -0.00004 0.00011 -0.00009 -0.00002 280 4XZ 0.00003 0.00005 0.00007 -0.00001 0.00005 281 4YZ 0.00003 0.00006 0.00007 -0.00001 0.00003 282 30 H 1S -0.00025 -0.00025 -0.00025 0.00002 -0.00066 283 2S -0.00012 -0.00031 -0.00036 -0.00017 -0.00056 284 31 H 1S -0.00046 0.00043 -0.00004 0.00028 0.00055 285 2S -0.00023 -0.00008 -0.00030 0.00035 0.00040 286 32 H 1S 0.00071 -0.00055 0.00050 -0.00061 -0.00107 287 2S 0.00110 -0.00046 0.00102 -0.00079 -0.00090 288 33 H 1S 0.00037 0.00003 -0.00002 0.00022 0.00104 289 2S 0.00023 0.00013 0.00002 -0.00023 0.00054 290 34 H 1S 0.00060 0.00046 0.00103 -0.00043 -0.00059 291 2S 0.00059 0.00060 0.00177 -0.00080 -0.00099 292 35 H 1S 0.00010 0.00021 0.00018 -0.00010 0.00050 293 2S 0.00027 0.00036 0.00020 -0.00003 0.00057 294 36 H 1S -0.00019 0.00000 0.00001 0.00008 -0.00059 295 2S -0.00006 -0.00004 0.00001 0.00008 -0.00052 296 37 H 1S 0.00057 0.00055 0.00017 -0.00032 0.00086 297 2S 0.00033 0.00016 0.00025 -0.00013 0.00047 298 38 H 1S -0.00066 -0.00013 -0.00082 0.00039 0.00033 299 2S -0.00114 -0.00009 -0.00081 0.00035 0.00038 300 39 H 1S -0.00019 0.00228 0.00103 0.00030 0.00041 301 2S -0.00048 0.00201 0.00136 0.00102 -0.00031 302 40 H 1S -0.00027 -0.00050 0.00080 -0.00075 0.00016 303 2S 0.00016 -0.00045 0.00199 -0.00083 -0.00018 106 107 108 109 110 106 8 C 1S 2.05169 107 2S -0.05340 0.30540 108 2PX -0.01145 0.01772 0.36506 109 2PY 0.00224 -0.00064 0.00550 0.41576 110 2PZ -0.00108 -0.00067 -0.01465 0.00408 0.41409 111 3S -0.19879 0.29696 0.08183 0.02011 -0.02145 112 3PX -0.00271 0.01011 0.13683 0.01065 -0.02025 113 3PY -0.00351 0.00128 0.01174 0.20864 0.00419 114 3PZ 0.00148 0.00088 -0.01441 0.00294 0.20286 115 4XX -0.01476 -0.00671 -0.01597 0.00808 -0.00785 116 4YY -0.01777 -0.00118 0.01160 -0.01297 -0.01375 117 4ZZ -0.01806 -0.00007 0.00451 -0.00051 0.02458 118 4XY 0.00063 -0.00145 0.00570 0.00912 -0.00149 119 4XZ 0.00031 -0.00051 -0.00641 -0.00135 0.00000 120 4YZ -0.00046 0.00143 -0.00060 -0.01267 -0.00427 121 9 C 1S 0.01016 -0.01975 -0.03373 -0.04258 0.02396 122 2S -0.02013 0.03169 0.07124 0.08987 -0.04975 123 2PX 0.04291 -0.08531 -0.10778 -0.14984 0.07759 124 2PY 0.04800 -0.09631 -0.13810 -0.15921 0.08270 125 2PZ -0.01946 0.03845 0.06081 0.07379 -0.03458 126 3S 0.01143 0.00059 0.03775 0.05484 -0.03723 127 3PX 0.00648 -0.02506 -0.04471 -0.05239 0.03153 128 3PY 0.00879 -0.02591 -0.04517 -0.06739 0.00744 129 3PZ -0.00293 0.00839 0.02641 0.02690 -0.02342 130 4XX -0.00127 0.00182 -0.00564 0.00426 -0.00128 131 4YY -0.00234 0.00340 0.00464 -0.00598 -0.00333 132 4ZZ 0.00094 -0.00283 -0.00189 -0.00302 0.00773 133 4XY -0.00469 0.00903 0.00576 0.00639 -0.00734 134 4XZ 0.00254 -0.00481 -0.00254 -0.00730 -0.00272 135 4YZ 0.00300 -0.00578 -0.00591 -0.00406 -0.00397 136 10 C 1S -0.00207 0.00484 0.00357 0.00805 -0.00699 137 2S 0.00469 -0.00905 -0.00650 -0.01960 0.01598 138 2PX -0.00084 0.00115 0.00411 -0.00206 0.00556 139 2PY -0.01002 0.02370 0.01913 0.03275 -0.02534 140 2PZ 0.00679 -0.01573 -0.01382 -0.02832 0.01872 141 3S 0.00060 -0.00879 -0.01556 -0.02333 0.03553 142 3PX -0.00093 0.00131 0.00738 -0.01104 0.01730 143 3PY -0.00588 0.01323 0.00252 0.00732 -0.01426 144 3PZ 0.00302 -0.01005 -0.00533 -0.01489 0.01472 145 4XX 0.00046 -0.00074 -0.00123 -0.00247 0.00163 146 4YY -0.00110 0.00215 0.00285 0.00399 -0.00276 147 4ZZ 0.00006 -0.00033 0.00027 -0.00015 -0.00011 148 4XY -0.00065 0.00155 0.00183 0.00249 -0.00198 149 4XZ 0.00077 -0.00159 -0.00190 -0.00302 0.00145 150 4YZ 0.00086 -0.00159 -0.00231 -0.00425 0.00229 151 11 C 1S 0.00155 -0.00406 -0.00469 -0.00693 0.00365 152 2S -0.00427 0.00844 0.01063 0.01543 -0.00821 153 2PX 0.00473 -0.01134 -0.01329 -0.01810 0.01109 154 2PY 0.00651 -0.01490 -0.01733 -0.02306 0.01379 155 2PZ -0.00512 0.00949 0.01382 0.01717 -0.00774 156 3S -0.00272 0.01067 0.01930 0.03550 -0.01925 157 3PX 0.00396 -0.00849 -0.01618 -0.02237 0.01452 158 3PY 0.00197 -0.00655 -0.00845 -0.01377 0.01254 159 3PZ -0.00155 0.00512 0.00752 0.00760 -0.00324 160 4XX -0.00036 0.00061 0.00070 0.00140 -0.00098 161 4YY 0.00025 -0.00063 -0.00053 -0.00094 0.00085 162 4ZZ 0.00026 -0.00074 -0.00075 -0.00136 0.00053 163 4XY -0.00027 0.00064 0.00095 0.00110 -0.00054 164 4XZ 0.00011 -0.00039 -0.00042 -0.00034 0.00017 165 4YZ -0.00046 0.00079 0.00111 0.00197 -0.00098 166 12 H 1S 0.00344 -0.00677 -0.00864 -0.01228 0.00644 167 2S 0.00579 -0.01122 -0.01489 -0.02542 0.01353 168 13 H 1S -0.00095 0.00045 0.00256 0.00394 -0.00093 169 2S 0.00006 -0.00191 -0.00108 0.00001 -0.00310 170 14 C 1S 0.00016 -0.00042 -0.00047 -0.00141 0.00123 171 2S 0.00019 0.00027 0.00018 0.00173 -0.00176 172 2PX 0.00040 -0.00072 -0.00055 -0.00105 0.00103 173 2PY -0.00129 0.00216 0.00112 -0.00089 0.00042 174 2PZ 0.00026 -0.00080 0.00004 0.00321 -0.00198 175 3S -0.00283 0.00346 0.00723 0.01295 -0.00915 176 3PX 0.00024 -0.00035 0.00110 0.00003 -0.00141 177 3PY -0.00097 0.00202 0.00449 0.00029 -0.00268 178 3PZ -0.00078 0.00018 0.00293 0.00818 -0.00387 179 4XX 0.00011 -0.00009 -0.00016 0.00004 0.00014 180 4YY -0.00001 0.00009 0.00014 -0.00038 0.00002 181 4ZZ -0.00011 0.00012 0.00028 0.00040 -0.00017 182 4XY -0.00029 0.00062 0.00076 0.00067 -0.00032 183 4XZ 0.00032 -0.00059 -0.00072 -0.00059 0.00042 184 4YZ 0.00022 -0.00045 -0.00059 -0.00031 0.00036 185 15 H 1S -0.00181 0.00378 0.00404 0.00237 -0.00192 186 2S -0.00289 0.00616 0.00658 0.00472 -0.00258 187 16 H 1S 0.00057 -0.00085 -0.00104 -0.00077 0.00077 188 2S 0.00070 -0.00164 -0.00094 0.00095 0.00103 189 17 C 1S 0.00221 -0.00520 -0.00673 -0.00350 0.00417 190 2S -0.00532 0.01020 0.01431 0.00989 -0.00969 191 2PX 0.00873 -0.01770 -0.02182 -0.01477 0.01617 192 2PY 0.00774 -0.01631 -0.01993 -0.00619 0.01397 193 2PZ -0.00566 0.01069 0.01400 0.01268 -0.00720 194 3S -0.00739 0.01881 0.03561 0.00121 -0.01897 195 3PX 0.00422 -0.01028 -0.01359 -0.00036 0.01067 196 3PY 0.00587 -0.01196 -0.02280 -0.00789 0.01687 197 3PZ -0.00412 0.00819 0.01149 0.00756 -0.00560 198 4XX 0.00041 -0.00090 -0.00147 -0.00135 0.00114 199 4YY -0.00023 0.00033 0.00074 0.00104 -0.00062 200 4ZZ 0.00013 -0.00044 -0.00045 0.00002 0.00008 201 4XY -0.00031 0.00068 0.00073 0.00090 -0.00021 202 4XZ -0.00020 0.00035 0.00084 0.00125 -0.00028 203 4YZ 0.00008 -0.00031 -0.00021 -0.00012 0.00043 204 18 C 1S -0.00350 0.00628 0.01002 -0.00068 -0.00654 205 2S 0.00664 -0.01348 -0.02249 0.00083 0.01587 206 2PX -0.01196 0.02690 0.03096 0.01622 -0.02754 207 2PY -0.00613 0.01119 0.00859 -0.00877 -0.00444 208 2PZ 0.00615 -0.01159 -0.01536 -0.01066 0.00064 209 3S 0.00959 -0.01803 -0.03924 0.01559 0.01820 210 3PX -0.00532 0.01093 0.00884 0.01168 -0.01057 211 3PY -0.00239 0.00380 -0.00282 0.00270 0.00370 212 3PZ 0.00365 -0.00580 -0.00929 -0.00948 -0.00685 213 4XX -0.00127 0.00211 0.00437 0.00330 -0.00297 214 4YY 0.00029 -0.00067 -0.00190 -0.00251 0.00122 215 4ZZ 0.00016 -0.00050 -0.00065 0.00070 0.00096 216 4XY -0.00140 0.00279 0.00435 0.00229 -0.00297 217 4XZ 0.00083 -0.00166 -0.00358 -0.00164 0.00211 218 4YZ 0.00063 -0.00137 -0.00204 -0.00091 0.00109 219 19 H 1S 0.00502 -0.01049 -0.01404 0.00070 0.01237 220 2S 0.00405 -0.00912 -0.01287 -0.00866 0.00573 221 20 H 1S 0.00535 -0.00917 -0.01459 -0.00189 0.00585 222 2S 0.00380 -0.00727 -0.01000 -0.00877 0.01250 223 21 H 1S -0.00028 -0.00030 0.00160 0.00524 0.00126 224 2S 0.00143 -0.00364 -0.00282 0.00225 0.00186 225 22 H 1S 0.00281 -0.00549 -0.00792 -0.00966 0.00512 226 2S 0.00478 -0.00923 -0.01722 -0.01621 0.01036 227 23 H 1S 0.00292 -0.00612 -0.00514 -0.01006 0.00597 228 2S 0.00333 -0.00842 -0.00446 -0.01395 0.00274 229 24 H 1S 0.00972 -0.02299 -0.02004 -0.03002 -0.00514 230 2S 0.01234 -0.02567 -0.03508 -0.05539 -0.00386 231 25 H 1S -0.05418 0.10411 0.07150 -0.23908 -0.09962 232 2S -0.00494 0.01837 0.05194 -0.17811 -0.07308 233 26 H 1S -0.05253 0.10089 0.02411 -0.01225 0.26677 234 2S -0.00358 0.01623 0.01737 -0.00596 0.20908 235 27 H 1S 0.00986 -0.02172 0.04348 0.00810 -0.01071 236 2S 0.00778 -0.01538 0.06833 0.01686 -0.01557 237 28 Br 1S 0.00007 0.00252 -0.00040 -0.00072 -0.00212 238 2S 0.00003 -0.01265 0.00283 0.00559 0.01364 239 3S -0.00068 0.00966 -0.00350 -0.00788 -0.01590 240 4S -0.00182 0.01518 -0.00724 -0.01292 -0.02694 241 5S 0.00233 -0.00616 0.01098 0.02144 0.02664 242 6S 0.00246 0.00470 -0.00613 -0.00729 0.01736 243 7PX 0.00329 -0.00133 0.00787 0.00255 0.00618 244 7PY -0.00044 0.00318 -0.00229 -0.00017 -0.00145 245 7PZ 0.00175 0.00309 0.00315 0.00419 0.00813 246 8PX -0.00806 0.01400 -0.02441 -0.00795 -0.02205 247 8PY 0.00223 -0.00669 0.00608 0.00025 0.00363 248 8PZ -0.00276 0.00226 -0.00939 -0.01332 -0.02787 249 9PX 0.01433 -0.03005 0.04699 0.01633 0.04420 250 9PY -0.00466 0.01128 -0.01053 -0.00051 -0.00668 251 9PZ 0.00411 -0.00870 0.01818 0.02602 0.05576 252 10PX 0.01279 -0.02523 0.04544 0.00866 0.04310 253 10PY -0.00334 0.00981 -0.01346 0.00312 -0.00490 254 10PZ 0.00207 -0.00201 0.00573 0.02214 0.05660 255 11XX 0.00087 -0.00663 0.00391 0.00300 0.00893 256 11YY -0.00009 -0.00608 0.00078 0.00349 0.00508 257 11ZZ -0.00036 -0.00382 -0.00036 0.00384 0.00794 258 11XY -0.00010 0.00069 0.00028 -0.00082 -0.00012 259 11XZ 0.00076 -0.00069 0.00434 0.00061 0.00283 260 11YZ -0.00020 0.00098 -0.00155 0.00056 -0.00149 261 12XX -0.00155 -0.00033 -0.00400 0.00549 -0.00163 262 12YY -0.00056 -0.00252 0.00335 0.00453 0.00866 263 12ZZ 0.00088 -0.00559 0.00525 0.00568 0.00955 264 12XY 0.00065 -0.00129 -0.00006 0.00138 0.00180 265 12XZ -0.00052 0.00105 -0.00970 -0.00168 -0.00487 266 12YZ 0.00071 -0.00116 0.00277 -0.00153 0.00588 267 29 C 1S 0.00003 0.00022 -0.00010 0.00094 0.00021 268 2S -0.00008 -0.00007 0.00039 -0.00014 -0.00115 269 2PX 0.00015 -0.00014 0.00149 0.00057 -0.00173 270 2PY -0.00062 0.00251 -0.00124 0.00503 0.00312 271 2PZ 0.00092 -0.00135 0.00127 -0.00166 -0.00497 272 3S -0.00071 -0.00122 -0.00296 -0.00876 0.00038 273 3PX 0.00079 -0.00207 -0.00056 -0.00422 -0.00483 274 3PY -0.00017 0.00141 0.00113 0.00445 -0.00067 275 3PZ 0.00027 -0.00007 0.00151 0.00056 -0.00656 276 4XX 0.00002 0.00014 -0.00015 0.00020 -0.00025 277 4YY 0.00003 -0.00009 0.00039 0.00023 0.00007 278 4ZZ -0.00001 0.00005 -0.00017 -0.00003 -0.00031 279 4XY -0.00004 0.00014 0.00062 0.00046 -0.00015 280 4XZ 0.00002 -0.00010 0.00026 0.00011 -0.00029 281 4YZ 0.00004 -0.00013 0.00011 -0.00030 0.00051 282 30 H 1S 0.00010 0.00011 -0.00186 -0.00073 0.00153 283 2S 0.00089 -0.00155 -0.00335 -0.00475 0.00130 284 31 H 1S 0.00031 -0.00111 -0.00012 -0.00138 -0.00381 285 2S 0.00011 0.00001 0.00061 0.00373 0.00308 286 32 H 1S -0.00037 0.00119 0.00194 0.00357 0.00032 287 2S -0.00030 0.00138 0.00406 0.00410 0.00187 288 33 H 1S -0.00012 0.00045 0.00069 0.00009 0.00033 289 2S -0.00020 0.00020 0.00087 -0.00161 -0.00149 290 34 H 1S 0.00074 -0.00164 0.00206 -0.00135 0.00107 291 2S 0.00074 -0.00158 0.00156 -0.00097 0.00061 292 35 H 1S 0.00014 -0.00007 0.00029 0.00016 0.00026 293 2S 0.00040 -0.00030 0.00221 0.00061 0.00136 294 36 H 1S -0.00008 0.00033 0.00048 0.00075 -0.00076 295 2S 0.00012 -0.00004 0.00205 0.00089 -0.00038 296 37 H 1S 0.00114 -0.00129 0.00438 -0.00040 0.00165 297 2S 0.00007 0.00056 0.00125 -0.00139 -0.00434 298 38 H 1S -0.00162 0.00282 -0.00749 0.00168 -0.00182 299 2S -0.00239 0.00445 -0.01340 0.00314 -0.00393 300 39 H 1S 0.00125 -0.00112 0.00650 -0.00265 0.00362 301 2S 0.00064 -0.00013 0.00807 -0.00216 0.00359 302 40 H 1S -0.00172 0.00120 -0.00801 0.00277 -0.00126 303 2S -0.00116 0.00121 -0.00186 0.00325 -0.00406 111 112 113 114 115 111 3S 0.35471 112 3PX 0.02752 0.05999 113 3PY 0.02138 0.00856 0.11028 114 3PZ -0.01476 -0.01234 0.00140 0.10315 115 4XX -0.00856 -0.00494 0.00358 -0.00363 0.00183 116 4YY 0.00183 0.00404 -0.00646 -0.00683 -0.00057 117 4ZZ 0.00091 0.00071 -0.00017 0.01212 -0.00072 118 4XY -0.00067 0.00187 0.00472 -0.00077 0.00013 119 4XZ -0.00172 -0.00227 -0.00044 0.00045 0.00013 120 4YZ 0.00109 -0.00010 -0.00577 -0.00234 -0.00008 121 9 C 1S 0.01086 -0.00509 -0.00803 0.00416 -0.00126 122 2S 0.00895 0.01656 0.02705 -0.01879 0.00150 123 2PX -0.12146 -0.03923 -0.07525 0.03490 0.01063 124 2PY -0.14464 -0.06994 -0.08868 0.04909 -0.00329 125 2PZ 0.04451 0.02957 0.05405 -0.02169 0.00150 126 3S -0.03470 0.00040 0.00453 -0.01002 0.00202 127 3PX -0.03427 -0.01512 -0.02572 0.01307 0.00488 128 3PY -0.04145 -0.02191 -0.03632 0.00666 -0.00194 129 3PZ 0.00775 0.01334 0.01970 -0.01375 0.00105 130 4XX 0.00231 -0.00156 0.00191 -0.00059 0.00041 131 4YY 0.00401 0.00242 -0.00249 -0.00180 -0.00034 132 4ZZ -0.00387 -0.00156 -0.00099 0.00387 -0.00019 133 4XY 0.01187 0.00257 0.00406 -0.00390 -0.00018 134 4XZ -0.00712 -0.00146 -0.00448 -0.00086 -0.00011 135 4YZ -0.00866 -0.00274 -0.00184 -0.00208 0.00065 136 10 C 1S 0.00103 0.00483 0.00420 -0.00543 0.00103 137 2S -0.01046 -0.00438 -0.01330 0.01271 -0.00223 138 2PX 0.00942 0.00985 0.00145 0.00703 -0.00208 139 2PY 0.05492 0.03242 0.03469 -0.02200 0.00480 140 2PZ -0.03743 -0.01422 -0.03481 0.01379 -0.00475 141 3S -0.00579 -0.01110 -0.01497 0.02352 -0.00270 142 3PX 0.00513 0.00573 -0.00325 0.01021 -0.00135 143 3PY 0.02601 0.00911 0.01283 -0.01041 0.00228 144 3PZ -0.02191 -0.00506 -0.01680 0.00748 -0.00214 145 4XX -0.00098 0.00011 -0.00099 0.00047 0.00025 146 4YY 0.00347 0.00120 0.00201 -0.00149 -0.00001 147 4ZZ -0.00153 -0.00083 -0.00013 0.00029 -0.00013 148 4XY 0.00288 0.00184 0.00233 -0.00103 -0.00001 149 4XZ -0.00279 -0.00157 -0.00203 0.00089 -0.00006 150 4YZ -0.00112 -0.00117 -0.00122 0.00083 0.00016 151 11 C 1S -0.00418 -0.00439 -0.00494 0.00123 -0.00033 152 2S 0.01648 0.01004 0.01286 -0.00452 0.00055 153 2PX -0.02180 -0.01750 -0.01395 0.00536 -0.00050 154 2PY -0.03260 -0.02436 -0.02356 0.00801 -0.00148 155 2PZ 0.04440 0.01505 0.02145 -0.00910 0.00070 156 3S 0.01508 0.01890 0.02035 -0.01086 0.00124 157 3PX -0.01685 -0.01302 -0.01377 0.00804 -0.00012 158 3PY -0.01227 -0.01321 -0.01242 0.00709 -0.00102 159 3PZ 0.02304 0.00761 0.00936 -0.00447 0.00013 160 4XX 0.00105 0.00068 0.00104 -0.00066 0.00011 161 4YY -0.00107 -0.00042 -0.00071 0.00065 -0.00010 162 4ZZ -0.00133 -0.00101 -0.00113 0.00030 -0.00009 163 4XY 0.00254 0.00087 0.00136 -0.00042 0.00005 164 4XZ -0.00101 -0.00050 -0.00027 0.00017 -0.00000 165 4YZ 0.00231 0.00040 0.00167 -0.00090 0.00014 166 12 H 1S -0.02661 -0.00917 -0.01472 0.00657 -0.00096 167 2S -0.03242 -0.01221 -0.02210 0.01046 -0.00155 168 13 H 1S 0.01261 -0.00119 0.00554 -0.00293 0.00011 169 2S 0.00626 -0.00447 0.00330 -0.00343 0.00028 170 14 C 1S 0.00170 -0.00175 -0.00044 0.00007 0.00002 171 2S -0.00701 0.00246 -0.00138 -0.00049 0.00011 172 2PX 0.00339 0.00465 0.00093 0.00120 -0.00018 173 2PY 0.01298 -0.00647 0.00334 -0.00022 -0.00010 174 2PZ -0.00410 0.00845 0.00543 -0.00014 0.00009 175 3S 0.00102 0.00640 0.00396 -0.00459 -0.00015 176 3PX -0.00006 0.00428 0.00093 -0.00016 0.00008 177 3PY 0.00908 -0.00181 0.00259 -0.00216 -0.00015 178 3PZ -0.00169 0.00488 0.00625 -0.00150 0.00007 179 4XX -0.00078 0.00020 0.00008 0.00020 0.00010 180 4YY 0.00047 -0.00045 -0.00036 0.00005 -0.00009 181 4ZZ 0.00081 0.00014 0.00040 -0.00026 -0.00002 182 4XY 0.00236 0.00035 0.00089 -0.00030 -0.00003 183 4XZ -0.00207 -0.00035 -0.00074 0.00030 0.00001 184 4YZ -0.00131 -0.00054 -0.00043 0.00010 0.00008 185 15 H 1S 0.01369 0.00056 0.00368 -0.00110 -0.00028 186 2S 0.02099 0.00182 0.00639 -0.00159 -0.00047 187 16 H 1S -0.00496 -0.00292 -0.00390 -0.00035 0.00008 188 2S -0.00314 -0.00386 -0.00055 -0.00066 0.00012 189 17 C 1S -0.00884 -0.00082 -0.00169 0.00144 0.00072 190 2S 0.02545 0.00613 0.00766 -0.00512 -0.00163 191 2PX -0.05805 -0.00919 -0.01666 0.00995 0.00320 192 2PY -0.04057 0.00124 -0.00201 0.00614 0.00212 193 2PZ 0.04400 -0.00085 0.01698 -0.00730 -0.00169 194 3S 0.03616 0.01396 0.00218 -0.01032 -0.00272 195 3PX -0.02873 -0.00546 -0.00446 0.00638 0.00181 196 3PY -0.02648 -0.00576 -0.00393 0.00862 0.00126 197 3PZ 0.02510 0.00231 0.00890 -0.00472 -0.00110 198 4XX -0.00177 -0.00086 -0.00112 0.00059 0.00022 199 4YY 0.00049 0.00032 0.00093 -0.00022 -0.00013 200 4ZZ -0.00111 0.00004 -0.00013 0.00002 0.00007 201 4XY 0.00284 -0.00016 0.00123 -0.00028 -0.00013 202 4XZ 0.00048 0.00046 0.00107 -0.00029 -0.00012 203 4YZ -0.00048 -0.00060 0.00021 -0.00002 0.00004 204 18 C 1S 0.01362 0.00390 -0.00129 -0.00475 -0.00178 205 2S -0.02350 -0.00884 0.00298 0.00997 0.00332 206 2PX 0.06174 0.01371 0.01522 -0.01050 -0.00849 207 2PY 0.05609 -0.00418 -0.00676 -0.00624 0.00072 208 2PZ -0.04078 0.01047 -0.02189 0.00547 0.00466 209 3S -0.02533 -0.01305 0.01135 0.01101 0.00418 210 3PX 0.02536 0.00264 0.00770 -0.00303 -0.00346 211 3PY 0.02292 -0.00478 0.00040 -0.00020 0.00057 212 3PZ -0.01880 0.00435 -0.01210 -0.00114 0.00217 213 4XX 0.00306 0.00144 0.00085 -0.00153 0.00003 214 4YY -0.00081 -0.00083 -0.00097 0.00065 -0.00020 215 4ZZ -0.00211 0.00002 0.00068 0.00056 0.00002 216 4XY 0.00644 0.00149 0.00241 -0.00195 -0.00033 217 4XZ -0.00287 -0.00128 -0.00063 0.00129 -0.00015 218 4YZ -0.00222 -0.00182 0.00024 0.00018 0.00022 219 19 H 1S -0.02375 -0.01153 0.01059 0.00508 0.00009 220 2S -0.02134 -0.01122 0.00501 0.00078 -0.00042 221 20 H 1S -0.03509 0.00497 -0.00610 0.00902 0.00032 222 2S -0.02922 0.00420 -0.01079 0.01161 -0.00122 223 21 H 1S 0.00490 -0.00048 0.00816 -0.00156 -0.00022 224 2S -0.00296 -0.00338 0.00644 -0.00122 0.00015 225 22 H 1S -0.02371 -0.00425 -0.01234 0.00446 0.00144 226 2S -0.02902 -0.00776 -0.01537 0.00667 0.00214 227 23 H 1S -0.00924 -0.00858 -0.00172 0.00429 0.00014 228 2S -0.01242 -0.00856 -0.00171 -0.00041 0.00059 229 24 H 1S -0.05454 -0.01555 -0.01533 -0.00035 0.00210 230 2S -0.04821 -0.01983 -0.02199 -0.00155 0.00150 231 25 H 1S 0.10740 0.02594 -0.11805 -0.05035 -0.00821 232 2S 0.01742 0.01757 -0.08677 -0.03702 -0.00578 233 26 H 1S 0.09088 -0.00001 -0.00433 0.13132 -0.00903 234 2S 0.00357 -0.00084 -0.00347 0.10288 -0.00628 235 27 H 1S -0.02787 0.01923 0.00231 -0.00870 0.00437 236 2S -0.00837 0.02752 0.00780 -0.01252 0.00013 237 28 Br 1S -0.01008 0.00484 -0.00691 0.00377 -0.00012 238 2S 0.04659 -0.02275 0.03432 -0.01624 0.00047 239 3S -0.02865 0.01459 -0.02561 0.00769 -0.00009 240 4S -0.04115 0.02130 -0.03941 0.00980 0.00007 241 5S -0.01223 0.00567 0.01181 0.01518 -0.00082 242 6S -0.00230 -0.00489 -0.00381 0.00529 -0.00101 243 7PX -0.04349 0.01132 -0.00847 0.01423 0.00013 244 7PY -0.00689 0.00128 -0.00399 0.00263 0.00090 245 7PZ -0.03789 0.00380 -0.00619 0.02650 0.00089 246 8PX 0.06740 -0.02457 0.00481 -0.00877 0.00126 247 8PY -0.00706 -0.00087 0.01035 0.00170 -0.00095 248 8PZ 0.02057 -0.00177 -0.00848 -0.03893 0.00040 249 9PX -0.10335 0.04218 -0.00055 0.00490 -0.00280 250 9PY 0.02327 0.00056 -0.01859 -0.00700 0.00122 251 9PZ -0.00663 -0.00018 0.02578 0.05790 -0.00172 252 10PX -0.08150 0.03494 -0.00302 0.00638 -0.00283 253 10PY 0.01734 -0.00174 -0.01250 -0.00629 0.00136 254 10PZ 0.00115 -0.00542 0.02084 0.04853 -0.00162 255 11XX 0.01645 -0.00746 0.01610 -0.00245 0.00013 256 11YY 0.02210 -0.01054 0.01666 -0.00845 0.00014 257 11ZZ 0.01746 -0.00973 0.01172 -0.00692 0.00017 258 11XY -0.00265 0.00017 -0.00055 0.00063 -0.00000 259 11XZ 0.00060 -0.00045 -0.00057 0.00533 0.00012 260 11YZ -0.00205 -0.00040 0.00087 0.00005 0.00027 261 12XX 0.00679 -0.00412 0.00660 -0.00428 0.00026 262 12YY 0.00636 -0.00099 0.00541 0.00113 -0.00018 263 12ZZ 0.00008 0.00003 0.00727 0.00478 0.00021 264 12XY -0.00397 0.00092 0.00021 0.00108 0.00004 265 12XZ -0.00485 -0.00183 -0.00123 -0.00158 0.00048 266 12YZ -0.00118 0.00154 -0.00165 0.00432 -0.00029 267 29 C 1S -0.00047 0.00011 -0.00106 -0.00058 0.00006 268 2S 0.00446 -0.00122 0.00155 0.00002 0.00004 269 2PX -0.00172 0.00413 0.00137 -0.00183 0.00009 270 2PY -0.00043 0.00230 -0.00264 0.00217 0.00018 271 2PZ -0.00630 0.00656 0.00148 -0.00556 -0.00006 272 3S 0.00148 -0.00328 -0.00306 0.00044 0.00038 273 3PX -0.00449 0.00140 -0.00137 -0.00261 0.00003 274 3PY -0.00029 0.00165 -0.00049 0.00047 -0.00007 275 3PZ 0.00029 0.00407 0.00126 -0.00469 0.00019 276 4XX -0.00003 0.00006 -0.00004 -0.00006 -0.00000 277 4YY -0.00060 0.00042 0.00019 0.00009 0.00002 278 4ZZ 0.00041 -0.00020 0.00004 -0.00032 0.00000 279 4XY 0.00025 0.00046 0.00037 0.00001 0.00000 280 4XZ -0.00015 0.00011 0.00031 -0.00012 -0.00004 281 4YZ -0.00011 -0.00020 -0.00023 0.00039 0.00002 282 30 H 1S -0.00008 -0.00121 -0.00185 0.00119 0.00008 283 2S -0.00456 -0.00108 -0.00399 0.00059 0.00012 284 31 H 1S -0.00148 0.00186 0.00292 -0.00379 -0.00011 285 2S -0.00168 0.00110 0.00435 -0.00030 -0.00050 286 32 H 1S 0.00155 0.00283 0.00096 0.00070 0.00012 287 2S 0.00196 0.00394 0.00188 0.00124 0.00001 288 33 H 1S -0.00386 0.00233 0.00163 0.00328 -0.00027 289 2S -0.00351 0.00222 0.00042 0.00134 -0.00010 290 34 H 1S 0.00006 0.00122 -0.00123 -0.00102 -0.00000 291 2S -0.00018 0.00114 -0.00100 -0.00096 0.00006 292 35 H 1S -0.00313 0.00244 0.00232 0.00062 -0.00010 293 2S -0.00474 0.00384 0.00205 0.00162 -0.00022 294 36 H 1S -0.00141 0.00179 0.00064 -0.00008 -0.00008 295 2S -0.00335 0.00302 0.00054 0.00055 -0.00034 296 37 H 1S -0.01123 0.00668 -0.00055 -0.00036 -0.00030 297 2S -0.00496 0.00454 -0.00076 -0.00260 -0.00004 298 38 H 1S 0.01117 -0.00761 0.00210 -0.00120 0.00029 299 2S 0.01288 -0.01054 0.00259 -0.00265 0.00055 300 39 H 1S -0.01225 0.00967 -0.00429 0.00427 -0.00037 301 2S -0.00676 0.00933 -0.00336 0.00479 -0.00035 302 40 H 1S 0.01934 -0.01203 0.00354 -0.00230 0.00024 303 2S 0.01754 -0.00722 0.00457 -0.00248 0.00029 116 117 118 119 120 116 4YY 0.00173 117 4ZZ -0.00057 0.00191 118 4XY -0.00008 -0.00008 0.00065 119 4XZ -0.00006 -0.00009 -0.00012 0.00041 120 4YZ 0.00053 -0.00038 -0.00023 0.00016 0.00063 121 9 C 1S -0.00234 0.00092 -0.00419 0.00201 0.00229 122 2S 0.00297 -0.00257 0.00760 -0.00395 -0.00466 123 2PX -0.00643 0.00107 -0.00184 0.00095 0.00575 124 2PY 0.00697 0.00154 -0.00421 0.00595 0.00400 125 2PZ 0.00490 -0.00816 0.00589 0.00428 0.00576 126 3S 0.00338 -0.00252 0.00678 -0.00327 -0.00402 127 3PX -0.00361 0.00057 -0.00056 0.00046 0.00218 128 3PY 0.00469 -0.00102 -0.00198 0.00237 0.00221 129 3PZ 0.00249 -0.00414 0.00278 0.00190 0.00271 130 4XX -0.00055 -0.00002 -0.00015 0.00001 -0.00020 131 4YY 0.00048 -0.00016 -0.00012 -0.00002 0.00031 132 4ZZ 0.00005 0.00031 -0.00001 0.00024 0.00020 133 4XY 0.00034 -0.00050 0.00026 0.00009 0.00013 134 4XZ 0.00057 -0.00024 -0.00011 0.00017 0.00018 135 4YZ 0.00023 -0.00067 0.00016 0.00028 0.00049 136 10 C 1S -0.00073 -0.00105 0.00032 0.00018 0.00081 137 2S 0.00136 0.00222 -0.00078 -0.00045 -0.00149 138 2PX 0.00104 0.00163 -0.00068 -0.00071 -0.00118 139 2PY -0.00267 -0.00433 0.00116 0.00057 0.00378 140 2PZ 0.00326 0.00315 -0.00111 -0.00185 -0.00418 141 3S 0.00011 0.00368 -0.00087 0.00031 -0.00162 142 3PX 0.00010 0.00168 -0.00073 -0.00057 -0.00026 143 3PY -0.00042 -0.00260 0.00080 0.00056 0.00237 144 3PZ 0.00084 0.00207 -0.00044 -0.00075 -0.00185 145 4XX -0.00020 -0.00000 -0.00002 -0.00003 0.00013 146 4YY -0.00010 -0.00001 0.00006 -0.00015 -0.00016 147 4ZZ 0.00031 -0.00012 0.00011 0.00015 0.00010 148 4XY 0.00005 -0.00019 0.00004 0.00013 0.00015 149 4XZ 0.00015 0.00009 -0.00001 0.00003 -0.00000 150 4YZ -0.00015 0.00002 -0.00012 0.00020 0.00033 151 11 C 1S 0.00027 0.00021 -0.00010 0.00005 -0.00019 152 2S -0.00063 -0.00070 0.00034 -0.00014 0.00029 153 2PX 0.00015 0.00075 -0.00038 0.00012 -0.00062 154 2PY 0.00078 0.00166 -0.00055 -0.00008 -0.00125 155 2PZ -0.00109 -0.00031 0.00013 -0.00007 0.00031 156 3S -0.00138 -0.00111 0.00081 -0.00070 -0.00054 157 3PX 0.00003 0.00068 -0.00042 0.00032 0.00010 158 3PY 0.00022 0.00132 -0.00045 -0.00010 -0.00068 159 3PZ -0.00054 0.00001 -0.00008 -0.00011 0.00002 160 4XX -0.00005 -0.00012 0.00005 0.00001 0.00007 161 4YY 0.00004 0.00012 -0.00005 -0.00001 -0.00007 162 4ZZ 0.00008 0.00007 -0.00003 -0.00000 -0.00004 163 4XY -0.00005 -0.00004 0.00002 0.00001 0.00006 164 4XZ 0.00002 0.00001 0.00000 0.00003 0.00001 165 4YZ -0.00013 -0.00009 0.00006 0.00003 0.00006 166 12 H 1S 0.00084 0.00068 -0.00025 -0.00012 -0.00056 167 2S 0.00132 0.00124 -0.00067 0.00000 -0.00062 168 13 H 1S -0.00051 0.00019 0.00001 0.00001 -0.00014 169 2S -0.00010 -0.00019 0.00004 0.00030 0.00024 170 14 C 1S -0.00003 0.00020 0.00001 -0.00007 -0.00001 171 2S 0.00008 -0.00035 -0.00005 0.00007 0.00002 172 2PX 0.00021 0.00025 -0.00011 0.00006 0.00002 173 2PY -0.00011 -0.00008 0.00020 0.00018 0.00027 174 2PZ 0.00026 -0.00052 0.00008 0.00017 0.00001 175 3S 0.00012 -0.00049 -0.00003 -0.00007 -0.00043 176 3PX 0.00016 -0.00009 0.00003 0.00004 0.00009 177 3PY 0.00021 -0.00027 0.00019 0.00006 0.00028 178 3PZ 0.00012 -0.00041 0.00017 0.00009 -0.00005 179 4XX -0.00006 -0.00003 0.00002 -0.00002 0.00003 180 4YY 0.00007 0.00002 0.00001 0.00003 -0.00001 181 4ZZ 0.00001 0.00001 -0.00001 -0.00001 -0.00001 182 4XY 0.00001 -0.00001 0.00000 0.00002 0.00004 183 4XZ 0.00001 0.00003 -0.00002 -0.00002 -0.00002 184 4YZ -0.00007 0.00001 -0.00001 -0.00002 -0.00000 185 15 H 1S 0.00014 -0.00009 0.00008 0.00019 0.00023 186 2S 0.00014 -0.00003 0.00012 0.00021 0.00024 187 16 H 1S -0.00016 0.00021 -0.00015 -0.00014 -0.00009 188 2S -0.00018 0.00019 -0.00008 -0.00009 0.00002 189 17 C 1S -0.00053 0.00001 0.00002 -0.00023 0.00000 190 2S 0.00104 -0.00029 0.00019 0.00037 -0.00017 191 2PX -0.00261 0.00057 0.00007 -0.00125 -0.00012 192 2PY -0.00160 0.00067 -0.00041 -0.00094 -0.00028 193 2PZ 0.00075 0.00019 -0.00015 0.00028 -0.00010 194 3S 0.00214 -0.00043 0.00019 -0.00027 -0.00004 195 3PX -0.00186 0.00057 0.00009 -0.00065 -0.00039 196 3PY -0.00125 0.00081 -0.00043 -0.00020 -0.00015 197 3PZ 0.00042 0.00017 -0.00007 0.00000 -0.00014 198 4XX -0.00021 0.00006 0.00002 -0.00007 -0.00001 199 4YY 0.00014 -0.00005 -0.00001 0.00006 0.00002 200 4ZZ -0.00004 0.00001 -0.00001 -0.00002 -0.00002 201 4XY 0.00005 0.00003 -0.00001 0.00003 0.00001 202 4XZ 0.00008 0.00000 -0.00002 0.00000 -0.00001 203 4YZ -0.00006 0.00003 0.00002 -0.00004 0.00003 204 18 C 1S 0.00147 -0.00064 -0.00009 0.00046 0.00034 205 2S -0.00322 0.00103 -0.00011 -0.00103 -0.00068 206 2PX 0.00769 -0.00201 -0.00152 0.00429 0.00103 207 2PY -0.00121 0.00048 0.00117 -0.00042 -0.00055 208 2PZ -0.00279 -0.00027 0.00004 -0.00113 -0.00160 209 3S -0.00456 0.00095 -0.00054 -0.00079 -0.00102 210 3PX 0.00331 -0.00087 -0.00026 0.00201 0.00017 211 3PY -0.00123 0.00052 0.00049 0.00005 -0.00039 212 3PZ -0.00098 -0.00056 -0.00038 -0.00053 -0.00055 213 4XX -0.00007 -0.00000 0.00020 -0.00027 -0.00025 214 4YY 0.00020 0.00002 -0.00012 0.00016 0.00010 215 4ZZ 0.00006 -0.00008 0.00001 0.00012 0.00012 216 4XY 0.00023 -0.00014 0.00001 0.00007 0.00012 217 4XZ -0.00001 0.00017 -0.00027 0.00008 -0.00004 218 4YZ -0.00007 -0.00006 0.00011 0.00001 0.00019 219 19 H 1S -0.00009 0.00022 -0.00027 0.00017 0.00124 220 2S 0.00125 -0.00062 -0.00018 0.00094 0.00204 221 20 H 1S 0.00010 0.00012 -0.00125 0.00041 -0.00081 222 2S 0.00081 0.00089 -0.00142 0.00052 -0.00092 223 21 H 1S -0.00018 0.00034 -0.00012 -0.00028 -0.00009 224 2S -0.00005 0.00006 -0.00009 -0.00013 0.00028 225 22 H 1S -0.00116 0.00004 0.00027 -0.00045 -0.00000 226 2S -0.00167 0.00020 0.00010 -0.00045 0.00012 227 23 H 1S 0.00008 0.00025 0.00006 0.00121 0.00109 228 2S 0.00059 -0.00076 0.00038 0.00159 0.00220 229 24 H 1S 0.00585 -0.00520 0.00341 0.00340 0.00452 230 2S 0.00488 -0.00444 0.00098 0.00392 0.00555 231 25 H 1S 0.01351 -0.00462 -0.00475 -0.00030 0.00885 232 2S 0.01137 -0.00414 -0.00354 0.00030 0.00676 233 26 H 1S -0.00791 0.01725 -0.00156 -0.00056 -0.00237 234 2S -0.00657 0.01404 -0.00085 -0.00037 -0.00273 235 27 H 1S 0.00051 -0.00212 0.00431 -0.00377 -0.00016 236 2S 0.00183 -0.00098 0.00369 -0.00334 -0.00075 237 28 Br 1S 0.00021 -0.00016 0.00007 -0.00047 0.00006 238 2S -0.00116 0.00109 -0.00025 0.00217 -0.00036 239 3S 0.00110 -0.00131 0.00001 -0.00129 0.00036 240 4S 0.00167 -0.00230 -0.00006 -0.00186 0.00054 241 5S -0.00121 0.00262 0.00066 -0.00031 -0.00076 242 6S 0.00011 0.00062 -0.00034 -0.00179 0.00061 243 7PX 0.00016 0.00243 0.00077 -0.00001 0.00029 244 7PY 0.00032 0.00057 0.00011 -0.00002 -0.00004 245 7PZ 0.00011 0.00262 0.00095 0.00076 0.00021 246 8PX 0.00139 -0.00415 -0.00184 -0.00128 0.00002 247 8PY 0.00018 -0.00038 -0.00066 0.00016 0.00039 248 8PZ 0.00201 -0.00433 -0.00244 -0.00335 0.00073 249 9PX -0.00314 0.00691 0.00331 0.00275 -0.00041 250 9PY -0.00062 0.00028 0.00137 -0.00038 -0.00079 251 9PZ -0.00442 0.00721 0.00434 0.00650 -0.00184 252 10PX -0.00221 0.00596 0.00257 0.00155 -0.00030 253 10PY -0.00083 0.00001 0.00138 -0.00060 -0.00058 254 10PZ -0.00390 0.00590 0.00290 0.00407 -0.00152 255 11XX -0.00052 0.00100 -0.00003 0.00088 -0.00025 256 11YY -0.00080 0.00009 -0.00003 0.00085 -0.00018 257 11ZZ -0.00038 0.00066 -0.00013 0.00081 -0.00013 258 11XY 0.00013 0.00005 -0.00004 -0.00001 0.00001 259 11XZ 0.00032 0.00065 0.00006 -0.00009 -0.00006 260 11YZ 0.00014 -0.00004 0.00002 -0.00009 0.00000 261 12XX -0.00034 -0.00009 -0.00009 0.00030 -0.00015 262 12YY -0.00038 0.00066 -0.00007 0.00017 -0.00035 263 12ZZ -0.00078 0.00107 0.00048 0.00089 -0.00036 264 12XY -0.00015 0.00020 -0.00001 0.00017 -0.00006 265 12XZ -0.00029 -0.00014 -0.00003 0.00062 0.00017 266 12YZ -0.00012 0.00069 -0.00023 0.00038 -0.00014 267 29 C 1S 0.00017 -0.00005 0.00000 -0.00005 -0.00003 268 2S -0.00041 0.00023 -0.00011 0.00006 0.00000 269 2PX -0.00025 0.00014 -0.00016 -0.00044 0.00005 270 2PY 0.00032 -0.00022 0.00028 -0.00017 -0.00079 271 2PZ 0.00037 -0.00016 -0.00021 -0.00071 0.00005 272 3S -0.00075 0.00039 0.00008 0.00034 0.00043 273 3PX 0.00042 -0.00036 0.00002 0.00001 0.00035 274 3PY 0.00040 -0.00027 -0.00009 -0.00026 -0.00058 275 3PZ -0.00016 -0.00009 -0.00014 -0.00070 -0.00025 276 4XX 0.00005 -0.00004 0.00003 0.00001 -0.00002 277 4YY 0.00001 -0.00002 0.00003 -0.00003 -0.00000 278 4ZZ -0.00003 0.00002 -0.00006 -0.00001 0.00001 279 4XY -0.00002 0.00001 0.00002 -0.00003 -0.00001 280 4XZ 0.00003 0.00001 0.00000 -0.00000 0.00001 281 4YZ -0.00002 0.00000 0.00005 0.00002 0.00001 282 30 H 1S 0.00014 -0.00012 0.00012 0.00016 -0.00019 283 2S 0.00044 -0.00036 0.00017 0.00028 0.00013 284 31 H 1S -0.00000 0.00008 -0.00034 -0.00025 0.00034 285 2S 0.00028 0.00025 -0.00033 -0.00007 0.00018 286 32 H 1S -0.00012 0.00003 0.00014 -0.00020 -0.00033 287 2S -0.00011 0.00013 0.00027 -0.00028 -0.00032 288 33 H 1S 0.00004 0.00011 -0.00007 0.00008 -0.00003 289 2S 0.00019 -0.00014 -0.00000 0.00012 0.00015 290 34 H 1S 0.00004 0.00007 0.00029 -0.00007 -0.00006 291 2S 0.00002 0.00001 0.00055 -0.00019 -0.00012 292 35 H 1S 0.00002 0.00008 0.00002 0.00002 0.00000 293 2S 0.00004 0.00023 0.00005 0.00004 -0.00010 294 36 H 1S 0.00014 0.00001 -0.00012 -0.00013 -0.00009 295 2S 0.00034 0.00013 -0.00022 -0.00015 -0.00018 296 37 H 1S 0.00019 0.00037 0.00008 0.00015 0.00001 297 2S 0.00042 -0.00015 -0.00007 0.00005 0.00005 298 38 H 1S -0.00034 -0.00020 0.00041 -0.00004 0.00000 299 2S -0.00054 -0.00039 0.00055 0.00001 0.00002 300 39 H 1S 0.00020 0.00071 0.00009 0.00031 -0.00015 301 2S 0.00033 0.00060 -0.00005 0.00014 -0.00027 302 40 H 1S -0.00055 -0.00040 0.00018 0.00028 -0.00001 303 2S -0.00013 -0.00065 0.00041 0.00013 0.00006 121 122 123 124 125 121 9 C 1S 2.05196 122 2S -0.05271 0.30856 123 2PX -0.00624 0.01193 0.39054 124 2PY -0.00499 -0.00147 -0.01323 0.38590 125 2PZ -0.00028 -0.00455 0.00524 0.01721 0.39847 126 3S -0.20108 0.28631 0.02326 0.05759 -0.02175 127 3PX 0.00146 0.00247 0.16979 -0.02753 0.00409 128 3PY -0.00155 0.00313 -0.02087 0.15644 0.02187 129 3PZ 0.00363 0.00026 0.00785 0.00854 0.17591 130 4XX -0.01471 -0.00553 0.00266 -0.00925 -0.00579 131 4YY -0.01509 -0.00460 -0.00407 0.00061 0.00284 132 4ZZ -0.01580 -0.00347 0.00132 0.01031 0.00712 133 4XY -0.00032 0.00082 -0.00786 -0.00482 0.01306 134 4XZ -0.00062 0.00106 -0.00277 0.01301 0.00111 135 4YZ -0.00136 0.00291 0.01306 0.00663 0.01535 136 10 C 1S 0.01035 -0.01917 0.02782 -0.03553 0.04315 137 2S -0.01886 0.02899 -0.05766 0.07121 -0.08874 138 2PX -0.02509 0.04919 -0.04573 0.07574 -0.09903 139 2PY 0.03662 -0.07070 0.08455 -0.09853 0.13593 140 2PZ -0.04521 0.08988 -0.10699 0.13237 -0.15233 141 3S 0.00704 0.00474 -0.05467 0.06640 -0.08863 142 3PX -0.00459 0.01237 -0.00960 0.02652 -0.04955 143 3PY 0.00248 -0.02055 0.04183 -0.02257 0.07647 144 3PZ -0.00884 0.02767 -0.04631 0.05112 -0.06893 145 4XX 0.00063 -0.00201 0.00871 -0.00367 0.00183 146 4YY -0.00097 0.00160 -0.00246 -0.00682 -0.00392 147 4ZZ -0.00177 0.00216 -0.00283 0.00637 0.00741 148 4XY 0.00264 -0.00538 -0.00321 -0.00167 0.00716 149 4XZ -0.00272 0.00520 0.00155 0.00695 -0.00234 150 4YZ 0.00436 -0.00838 0.00769 -0.00251 0.00676 151 11 C 1S -0.00288 0.00466 -0.00010 0.00980 -0.00430 152 2S 0.00491 -0.01236 -0.00038 -0.02302 0.01189 153 2PX -0.00273 0.00553 0.00603 0.00873 -0.00677 154 2PY -0.00831 0.01918 -0.00614 0.02082 -0.02901 155 2PZ 0.01003 -0.01908 0.00459 -0.02922 0.00599 156 3S 0.00984 -0.00857 -0.00482 -0.05352 0.00776 157 3PX -0.00298 0.00420 0.01654 0.02035 -0.00558 158 3PY -0.00552 0.00859 -0.00280 0.01187 -0.02468 159 3PZ 0.00671 -0.01140 0.00081 -0.01627 -0.00300 160 4XX 0.00062 -0.00152 0.00132 -0.00317 0.00378 161 4YY -0.00079 0.00122 -0.00166 0.00268 -0.00378 162 4ZZ -0.00081 0.00126 -0.00083 0.00251 -0.00166 163 4XY 0.00044 -0.00109 0.00036 -0.00139 0.00067 164 4XZ 0.00009 -0.00005 0.00051 -0.00011 0.00109 165 4YZ 0.00140 -0.00276 0.00225 -0.00594 0.00493 166 12 H 1S -0.00805 0.01567 -0.01269 0.02566 -0.02040 167 2S -0.01016 0.02022 -0.01711 0.04993 -0.03518 168 13 H 1S 0.00469 -0.00830 0.00461 -0.01813 0.00378 169 2S 0.00367 -0.00724 0.00776 -0.01091 0.01692 170 14 C 1S -0.00154 0.00353 0.00375 0.00115 -0.00487 171 2S 0.00333 -0.00459 -0.00570 -0.00095 0.01115 172 2PX -0.00202 0.00405 -0.00543 0.01189 -0.00982 173 2PY -0.00291 0.00244 0.01373 -0.00323 -0.00116 174 2PZ 0.00458 -0.01147 -0.01154 0.00039 0.01781 175 3S 0.00395 -0.01191 -0.02487 -0.01243 0.00855 176 3PX 0.00017 0.00312 -0.00158 0.00528 -0.00069 177 3PY -0.00016 0.00170 0.00643 -0.00341 0.00599 178 3PZ 0.00333 -0.00867 -0.01305 -0.00516 0.01555 179 4XX -0.00020 0.00052 0.00149 -0.00052 0.00022 180 4YY -0.00014 0.00050 -0.00016 0.00083 -0.00026 181 4ZZ 0.00027 -0.00033 -0.00078 -0.00016 -0.00002 182 4XY 0.00012 -0.00038 -0.00002 -0.00013 -0.00007 183 4XZ -0.00006 0.00040 -0.00069 0.00097 -0.00022 184 4YZ 0.00005 0.00009 0.00095 -0.00071 0.00021 185 15 H 1S -0.00086 0.00057 0.00211 0.00136 -0.00145 186 2S -0.00063 -0.00154 0.00076 -0.00078 -0.00349 187 16 H 1S 0.00100 0.00147 -0.00041 -0.00151 -0.00312 188 2S 0.00163 -0.00019 -0.00072 -0.00243 0.00223 189 17 C 1S -0.00259 0.00504 0.01010 0.00119 -0.00219 190 2S 0.00486 -0.01189 -0.02524 -0.00256 0.00653 191 2PX -0.01113 0.02598 0.03982 -0.01076 -0.01914 192 2PY -0.00079 0.00591 0.00717 0.00223 -0.01118 193 2PZ 0.00758 -0.01645 -0.02481 -0.00341 -0.00403 194 3S 0.00696 -0.01091 -0.03950 -0.01348 0.00273 195 3PX -0.00678 0.01412 0.02380 -0.01098 -0.01789 196 3PY -0.00152 0.00391 0.01443 0.01300 -0.01336 197 3PZ 0.00587 -0.01071 -0.02091 -0.00556 -0.00593 198 4XX -0.00153 0.00293 0.00743 -0.00247 -0.00319 199 4YY 0.00083 -0.00213 -0.00486 0.00190 0.00257 200 4ZZ -0.00017 0.00022 -0.00009 0.00002 -0.00014 201 4XY 0.00032 -0.00109 -0.00115 -0.00016 -0.00050 202 4XZ 0.00106 -0.00207 -0.00547 0.00112 0.00155 203 4YZ -0.00012 0.00039 0.00049 -0.00022 0.00010 204 18 C 1S 0.01050 -0.01921 -0.05083 0.02658 0.02444 205 2S -0.01934 0.03049 0.10123 -0.05365 -0.04991 206 2PX 0.05436 -0.11427 -0.21711 0.11945 0.10201 207 2PY -0.02835 0.05834 0.11649 -0.04795 -0.05320 208 2PZ -0.02164 0.04844 0.09505 -0.05220 -0.03384 209 3S 0.00587 0.00877 0.09778 -0.06240 -0.05309 210 3PX 0.00887 -0.03336 -0.09087 0.06279 0.04276 211 3PY -0.00760 0.02075 0.05417 -0.02364 -0.02217 212 3PZ -0.00519 0.01425 0.03968 -0.02526 -0.01817 213 4XX -0.00413 0.00778 0.00070 -0.00742 -0.00618 214 4YY 0.00091 -0.00284 -0.00392 0.00761 0.00183 215 4ZZ 0.00107 -0.00310 -0.00266 0.00294 0.00772 216 4XY 0.00356 -0.00678 -0.00752 -0.00279 0.00547 217 4XZ 0.00329 -0.00618 -0.00681 0.00534 -0.00413 218 4YZ -0.00149 0.00268 0.00571 0.00186 0.00409 219 19 H 1S 0.00742 -0.02114 -0.01712 0.02147 0.02444 220 2S 0.00976 -0.02431 -0.02686 0.04685 0.05571 221 20 H 1S 0.00859 -0.01979 -0.03008 0.01801 -0.00381 222 2S 0.01061 -0.02124 -0.05487 0.04082 -0.01286 223 21 H 1S 0.00417 -0.00722 -0.01644 -0.00074 -0.00287 224 2S 0.00273 -0.00599 -0.01197 0.00668 0.00904 225 22 H 1S -0.00866 0.01761 0.03401 -0.01157 -0.00903 226 2S -0.00987 0.02154 0.05383 -0.01043 -0.01391 227 23 H 1S 0.00786 -0.02072 0.01409 -0.00298 0.03307 228 2S 0.01116 -0.02504 0.02811 0.00395 0.07531 229 24 H 1S -0.05311 0.09862 0.06948 0.15565 0.21105 230 2S -0.00347 0.01211 0.05689 0.13264 0.18512 231 25 H 1S 0.00654 -0.01853 0.00653 0.03524 0.00391 232 2S 0.00735 -0.02038 0.00325 0.07234 0.02063 233 26 H 1S 0.00782 -0.01904 0.01179 0.01361 -0.03052 234 2S 0.00789 -0.01561 0.02009 0.02516 -0.05258 235 27 H 1S -0.00666 0.01383 -0.02725 -0.02185 0.00930 236 2S -0.00670 0.01437 -0.04971 -0.02725 0.00567 237 28 Br 1S -0.00006 -0.00073 -0.00022 -0.00014 0.00004 238 2S 0.00024 0.00353 0.00095 0.00031 -0.00078 239 3S -0.00010 -0.00250 -0.00053 0.00053 0.00167 240 4S -0.00013 -0.00353 -0.00025 0.00084 0.00254 241 5S -0.00044 0.00280 -0.00363 -0.00436 -0.00615 242 6S 0.00081 -0.00678 0.00689 0.00196 0.00050 243 7PX -0.00027 -0.00257 -0.00043 -0.00032 0.00009 244 7PY -0.00032 -0.00140 -0.00068 -0.00050 0.00074 245 7PZ -0.00042 -0.00387 -0.00077 -0.00066 0.00045 246 8PX -0.00033 0.00107 -0.00001 0.00109 0.00034 247 8PY 0.00027 0.00048 0.00169 0.00158 -0.00216 248 8PZ -0.00038 0.00274 0.00087 0.00296 -0.00035 249 9PX 0.00087 0.00059 0.00005 -0.00270 -0.00116 250 9PY -0.00029 0.00066 -0.00338 -0.00281 0.00385 251 9PZ 0.00132 -0.00192 -0.00082 -0.00595 -0.00004 252 10PX 0.00009 0.00079 -0.00083 -0.00115 -0.00329 253 10PY -0.00058 0.00018 -0.00114 -0.00499 0.00431 254 10PZ 0.00173 -0.00404 0.00375 -0.00585 -0.00440 255 11XX -0.00004 0.00131 0.00057 0.00009 -0.00062 256 11YY 0.00007 0.00203 0.00007 -0.00033 -0.00014 257 11ZZ 0.00013 0.00121 0.00059 -0.00007 -0.00122 258 11XY -0.00022 -0.00036 -0.00031 0.00036 -0.00043 259 11XZ -0.00035 -0.00028 -0.00149 -0.00068 0.00007 260 11YZ -0.00015 -0.00026 -0.00046 -0.00059 0.00084 261 12XX -0.00005 0.00146 -0.00099 -0.00142 -0.00121 262 12YY -0.00002 0.00164 0.00005 -0.00057 -0.00237 263 12ZZ 0.00013 0.00169 0.00098 -0.00135 -0.00196 264 12XY 0.00025 -0.00066 0.00153 -0.00063 0.00109 265 12XZ 0.00057 -0.00123 0.00496 0.00220 -0.00016 266 12YZ 0.00026 -0.00059 0.00249 0.00136 -0.00237 267 29 C 1S -0.00135 0.00246 -0.00207 0.00446 0.00290 268 2S 0.00259 -0.00429 0.00335 -0.01085 -0.00782 269 2PX 0.00290 -0.00491 0.00003 -0.01207 -0.01296 270 2PY -0.00469 0.01088 -0.00842 0.01536 0.00893 271 2PZ 0.00046 -0.00103 -0.00455 -0.00412 -0.01517 272 3S 0.00317 -0.00771 0.02009 -0.01579 -0.00264 273 3PX 0.00034 -0.00083 -0.00105 0.00479 0.00238 274 3PY -0.00321 0.00688 -0.01136 0.00867 -0.00071 275 3PZ 0.00177 -0.00122 -0.00113 -0.01401 -0.02212 276 4XX -0.00045 0.00072 -0.00072 0.00134 0.00080 277 4YY -0.00010 -0.00004 0.00016 -0.00056 0.00065 278 4ZZ 0.00016 -0.00037 0.00030 -0.00110 -0.00158 279 4XY 0.00016 -0.00018 -0.00006 -0.00107 -0.00052 280 4XZ -0.00001 0.00015 -0.00082 0.00037 -0.00091 281 4YZ -0.00005 -0.00003 0.00090 -0.00002 0.00138 282 30 H 1S -0.00184 0.00356 0.00016 0.00748 0.00791 283 2S -0.00187 0.00311 0.00241 0.01435 0.01709 284 31 H 1S 0.00256 -0.00522 -0.00037 -0.00821 -0.01291 285 2S -0.00080 -0.00031 -0.00944 0.00665 -0.00195 286 32 H 1S 0.00042 0.00074 -0.00253 -0.00334 -0.00134 287 2S 0.00024 0.00077 -0.00272 -0.00418 -0.00154 288 33 H 1S -0.00150 0.00116 -0.00356 0.00380 -0.00509 289 2S -0.00054 -0.00069 -0.00113 0.00330 0.00282 290 34 H 1S -0.00011 0.00006 -0.00068 -0.00028 -0.00010 291 2S 0.00005 0.00013 -0.00247 -0.00055 0.00016 292 35 H 1S -0.00014 -0.00031 -0.00036 -0.00033 -0.00184 293 2S -0.00058 0.00056 -0.00190 0.00006 -0.00319 294 36 H 1S -0.00153 0.00275 -0.00423 0.00462 -0.00338 295 2S -0.00223 0.00437 -0.00921 0.00884 -0.00699 296 37 H 1S -0.00004 0.00010 -0.00056 0.00000 -0.00082 297 2S -0.00020 0.00048 -0.00202 0.00047 -0.00124 298 38 H 1S -0.00019 0.00046 -0.00036 -0.00091 0.00103 299 2S -0.00031 0.00063 0.00002 -0.00064 0.00163 300 39 H 1S -0.00019 0.00053 -0.00003 0.00082 -0.00199 301 2S -0.00037 0.00070 -0.00182 -0.00063 -0.00365 302 40 H 1S 0.00073 -0.00089 0.00235 0.00083 0.00168 303 2S 0.00051 -0.00059 -0.00087 -0.00045 0.00652 126 127 128 129 130 126 3S 0.31760 127 3PX 0.00274 0.08202 128 3PY 0.02573 -0.02095 0.07199 129 3PZ -0.01066 0.00506 0.00843 0.08252 130 4XX -0.00528 0.00177 -0.00407 -0.00235 0.00113 131 4YY -0.00391 -0.00192 0.00120 0.00112 -0.00013 132 4ZZ -0.00125 0.00018 0.00349 0.00303 -0.00039 133 4XY -0.00033 -0.00252 -0.00076 0.00513 -0.00019 134 4XZ 0.00271 -0.00162 0.00502 0.00116 -0.00036 135 4YZ 0.00396 0.00458 0.00299 0.00697 -0.00035 136 10 C 1S 0.00889 0.00321 -0.00239 0.00809 0.00050 137 2S 0.00601 -0.01650 0.01571 -0.02631 -0.00180 138 2PX 0.06523 -0.02405 0.03914 -0.05496 -0.00741 139 2PY -0.08388 0.04327 -0.02321 0.05537 0.00142 140 2PZ 0.12520 -0.06339 0.06487 -0.07074 -0.00018 141 3S -0.01998 -0.00796 0.00599 -0.02182 -0.00043 142 3PX 0.02155 -0.00832 0.01390 -0.02725 -0.00319 143 3PY -0.01824 0.01786 -0.00063 0.02911 -0.00060 144 3PZ 0.03569 -0.02396 0.02122 -0.02973 0.00020 145 4XX -0.00153 0.00419 -0.00130 0.00077 0.00028 146 4YY 0.00093 -0.00101 -0.00256 -0.00238 0.00008 147 4ZZ 0.00249 -0.00199 0.00243 0.00349 -0.00034 148 4XY -0.00696 -0.00065 -0.00051 0.00310 -0.00018 149 4XZ 0.00586 0.00059 0.00238 -0.00127 -0.00029 150 4YZ -0.01097 0.00434 -0.00272 0.00372 0.00013 151 11 C 1S 0.00962 -0.00085 0.00699 -0.00167 0.00020 152 2S -0.01205 0.00528 -0.00932 0.00061 -0.00076 153 2PX 0.00792 0.01079 -0.00884 0.00195 0.00187 154 2PY 0.03441 -0.01355 0.00375 -0.02029 0.00298 155 2PZ -0.07226 0.02494 -0.01912 -0.00140 -0.00073 156 3S -0.00935 0.00835 -0.02147 0.00073 0.00003 157 3PX 0.01189 0.01189 0.00025 0.00011 0.00035 158 3PY 0.01673 -0.00634 0.00138 -0.01355 0.00144 159 3PZ -0.03459 0.01029 -0.00855 -0.00373 0.00009 160 4XX -0.00193 0.00080 -0.00101 0.00218 0.00012 161 4YY 0.00083 -0.00091 0.00084 -0.00150 -0.00010 162 4ZZ 0.00165 -0.00085 0.00068 -0.00124 0.00003 163 4XY -0.00320 0.00143 -0.00126 0.00019 -0.00014 164 4XZ 0.00036 -0.00018 0.00020 0.00019 0.00002 165 4YZ -0.00632 0.00251 -0.00365 0.00225 0.00013 166 12 H 1S 0.04768 -0.02212 0.01702 -0.01277 0.00037 167 2S 0.05104 -0.02484 0.02799 -0.01805 -0.00004 168 13 H 1S -0.03319 0.01326 -0.01677 -0.00373 0.00068 169 2S -0.03499 0.01149 -0.01438 0.00374 0.00031 170 14 C 1S 0.00331 0.00236 -0.00040 -0.00277 -0.00011 171 2S -0.01261 -0.00707 -0.00048 0.01198 0.00048 172 2PX 0.00430 -0.00524 0.01109 -0.00907 -0.00115 173 2PY 0.02979 0.01322 -0.00843 -0.00995 0.00025 174 2PZ -0.00777 -0.00107 0.01556 0.01404 -0.00035 175 3S -0.02371 -0.01455 -0.00315 0.01237 0.00144 176 3PX 0.00227 -0.00090 0.00496 -0.00187 -0.00081 177 3PY 0.01305 0.00519 -0.00330 -0.00209 0.00016 178 3PZ -0.01004 -0.00423 0.00484 0.01057 -0.00030 179 4XX 0.00225 0.00096 -0.00035 -0.00010 -0.00019 180 4YY 0.00180 -0.00004 0.00013 -0.00019 0.00009 181 4ZZ -0.00284 -0.00059 0.00001 -0.00034 0.00006 182 4XY -0.00152 -0.00011 -0.00007 -0.00045 -0.00001 183 4XZ 0.00015 -0.00114 0.00062 -0.00005 -0.00004 184 4YZ -0.00136 0.00055 -0.00134 0.00013 -0.00004 185 15 H 1S 0.00926 0.00142 -0.00163 -0.00546 -0.00003 186 2S 0.00691 0.00227 -0.00135 -0.00699 -0.00007 187 16 H 1S -0.01768 -0.00569 -0.00794 0.00026 0.00040 188 2S -0.02217 -0.00434 -0.00783 -0.00061 -0.00010 189 17 C 1S 0.00444 0.00565 0.00231 -0.00066 -0.00131 190 2S -0.00704 -0.00885 0.00224 -0.00126 0.00217 191 2PX 0.05022 0.02754 -0.02689 -0.01387 -0.00567 192 2PY -0.02732 -0.00913 0.01398 -0.00883 -0.00354 193 2PZ -0.04072 -0.01491 0.00106 -0.02039 0.00300 194 3S -0.00182 -0.01611 0.00070 -0.00393 0.00179 195 3PX 0.02445 0.01499 -0.01557 -0.00959 -0.00218 196 3PY -0.00708 -0.00106 0.01088 -0.00819 -0.00141 197 3PZ -0.02326 -0.00999 -0.00128 -0.01084 0.00119 198 4XX 0.00447 0.00388 -0.00205 -0.00100 0.00003 199 4YY -0.00254 -0.00252 0.00124 0.00114 -0.00005 200 4ZZ -0.00150 -0.00046 -0.00004 -0.00037 -0.00003 201 4XY -0.00288 -0.00150 0.00066 -0.00093 0.00027 202 4XZ -0.00427 -0.00331 0.00137 0.00039 -0.00019 203 4YZ 0.00049 0.00030 -0.00065 -0.00102 -0.00031 204 18 C 1S 0.00638 -0.00929 0.00735 0.00643 -0.00427 205 2S 0.00259 0.03126 -0.02046 -0.01688 0.00758 206 2PX -0.10285 -0.09359 0.05968 0.04554 0.00229 207 2PY 0.07797 0.06537 -0.02485 -0.02666 0.00659 208 2PZ 0.03797 0.05476 -0.02920 -0.00392 0.00643 209 3S -0.01870 0.02772 -0.02192 -0.01822 0.00834 210 3PX -0.02321 -0.03751 0.02852 0.01868 0.00072 211 3PY 0.02865 0.03031 -0.01375 -0.01093 0.00318 212 3PZ 0.00745 0.02197 -0.01282 -0.00313 0.00331 213 4XX 0.00835 0.00153 -0.00384 -0.00296 0.00006 214 4YY -0.00283 -0.00245 0.00380 0.00062 -0.00016 215 4ZZ -0.00384 -0.00170 0.00147 0.00377 -0.00027 216 4XY -0.00727 -0.00323 -0.00045 0.00169 0.00003 217 4XZ -0.00710 -0.00401 0.00239 -0.00195 -0.00001 218 4YZ 0.00270 0.00155 0.00063 0.00094 -0.00057 219 19 H 1S -0.03659 -0.02590 0.01418 0.00719 -0.00406 220 2S -0.03457 -0.02615 0.02329 0.01932 -0.00583 221 20 H 1S -0.03728 -0.01771 0.00963 0.00733 0.00378 222 2S -0.02782 -0.02624 0.01832 0.00159 0.00140 223 21 H 1S -0.02672 -0.01245 0.00205 -0.01523 -0.00071 224 2S -0.02782 -0.01211 0.00412 -0.00754 -0.00174 225 22 H 1S 0.04885 0.02679 -0.02064 -0.00170 -0.00163 226 2S 0.04753 0.03424 -0.01913 -0.00282 -0.00145 227 23 H 1S -0.04686 0.01567 -0.01965 0.02412 -0.00087 228 2S -0.04596 0.01679 -0.01226 0.03768 -0.00182 229 24 H 1S 0.10862 0.02049 0.06919 0.09507 -0.00828 230 2S 0.01742 0.01541 0.05718 0.08147 -0.00697 231 25 H 1S -0.01708 -0.00124 0.03045 0.00328 -0.00331 232 2S -0.01310 -0.00708 0.04169 0.01112 -0.00423 233 26 H 1S -0.02312 0.00787 -0.00681 -0.02163 -0.00042 234 2S -0.01334 0.00826 -0.00316 -0.02751 -0.00049 235 27 H 1S 0.02840 -0.01647 -0.01587 0.00762 -0.00134 236 2S 0.01768 -0.02312 -0.01307 0.00622 -0.00105 237 28 Br 1S 0.00759 -0.00615 0.00255 0.00014 0.00036 238 2S -0.03567 0.02907 -0.01227 -0.00121 -0.00170 239 3S 0.02319 -0.01910 0.00835 0.00172 0.00104 240 4S 0.03399 -0.02799 0.01255 0.00307 0.00154 241 5S 0.00791 -0.00357 -0.00120 -0.00548 0.00030 242 6S -0.00177 -0.00209 0.00115 -0.00075 0.00014 243 7PX 0.02099 -0.00801 -0.00546 -0.00299 0.00019 244 7PY 0.01277 -0.00497 -0.00105 -0.00284 0.00009 245 7PZ 0.03152 -0.01031 -0.00997 -0.00830 0.00013 246 8PX -0.00490 -0.00028 0.00796 -0.00416 0.00019 247 8PY -0.00919 0.00271 0.00089 0.00058 0.00001 248 8PZ -0.01308 0.00460 0.01183 0.00597 -0.00006 249 9PX -0.00918 0.00871 -0.01252 0.01163 -0.00071 250 9PY 0.00715 -0.00092 -0.00072 0.00172 -0.00017 251 9PZ -0.00346 0.00087 -0.01572 -0.00438 -0.00014 252 10PX -0.00561 0.00561 -0.00973 0.00790 -0.00086 253 10PY 0.00591 -0.00072 -0.00261 0.00245 0.00002 254 10PZ -0.00558 0.00178 -0.01276 -0.00563 0.00016 255 11XX -0.01198 0.01121 -0.00495 -0.00284 -0.00072 256 11YY -0.01774 0.01327 -0.00504 -0.00002 -0.00068 257 11ZZ -0.01403 0.01126 -0.00526 0.00072 -0.00061 258 11XY 0.00524 -0.00284 -0.00020 -0.00159 0.00000 259 11XZ 0.00619 -0.00311 -0.00217 -0.00257 -0.00008 260 11YZ 0.00259 -0.00200 -0.00082 -0.00022 0.00004 261 12XX -0.00505 0.00376 -0.00179 -0.00027 -0.00002 262 12YY -0.00316 0.00402 -0.00121 -0.00165 -0.00018 263 12ZZ -0.00202 0.00390 -0.00330 -0.00155 -0.00030 264 12XY -0.00158 0.00116 -0.00096 0.00084 0.00004 265 12XZ -0.00090 0.00252 0.00059 0.00017 0.00015 266 12YZ -0.00006 0.00115 0.00049 -0.00183 -0.00008 267 29 C 1S 0.00341 0.00021 0.00270 0.00315 -0.00027 268 2S -0.00944 -0.00200 -0.00550 -0.00508 0.00031 269 2PX -0.01626 -0.01032 -0.00281 -0.01000 0.00018 270 2PY 0.01540 0.01288 0.00537 0.00697 -0.00016 271 2PZ 0.00177 -0.00776 0.00909 -0.01134 0.00052 272 3S -0.01160 0.00622 -0.01068 -0.00170 0.00026 273 3PX -0.00499 -0.00549 0.00324 -0.00092 -0.00037 274 3PY 0.01089 0.00217 0.00464 0.00140 0.00004 275 3PZ -0.00046 -0.00256 -0.00020 -0.01178 0.00089 276 4XX 0.00103 0.00045 0.00057 0.00048 -0.00004 277 4YY -0.00052 -0.00003 -0.00025 0.00051 0.00003 278 4ZZ -0.00021 -0.00036 -0.00028 -0.00110 0.00006 279 4XY -0.00070 0.00000 -0.00066 -0.00038 -0.00006 280 4XZ 0.00035 -0.00098 0.00035 -0.00082 -0.00012 281 4YZ 0.00002 0.00097 -0.00059 0.00111 0.00004 282 30 H 1S 0.00923 0.00843 0.00278 0.00607 0.00028 283 2S 0.00776 0.00795 0.00592 0.01052 0.00020 284 31 H 1S -0.00825 -0.01224 0.00294 -0.01145 0.00013 285 2S 0.00000 -0.01364 0.00881 -0.00632 -0.00059 286 32 H 1S -0.00610 0.00161 -0.00290 -0.00128 -0.00008 287 2S -0.00603 0.00204 -0.00328 -0.00117 -0.00016 288 33 H 1S 0.01515 -0.00694 0.00439 -0.00815 -0.00026 289 2S 0.00903 -0.00417 0.00208 -0.00263 -0.00027 290 34 H 1S -0.00360 -0.00064 0.00262 0.00422 -0.00012 291 2S -0.00387 -0.00120 0.00201 0.00409 -0.00004 292 35 H 1S 0.00590 -0.00121 0.00060 -0.00563 0.00007 293 2S 0.00805 -0.00193 0.00098 -0.00603 0.00005 294 36 H 1S 0.00829 -0.00351 0.00486 -0.00445 -0.00048 295 2S 0.01136 -0.00576 0.00684 -0.00688 -0.00076 296 37 H 1S 0.00074 -0.00137 0.00046 -0.00035 -0.00004 297 2S 0.00241 -0.00228 0.00147 -0.00184 -0.00005 298 38 H 1S -0.00081 0.00107 -0.00161 0.00058 0.00021 299 2S -0.00125 0.00131 -0.00208 0.00141 0.00037 300 39 H 1S -0.00000 -0.00071 0.00078 -0.00061 -0.00006 301 2S 0.00214 -0.00226 0.00137 -0.00275 -0.00008 302 40 H 1S -0.00431 0.00544 -0.00019 0.00202 0.00005 303 2S -0.00382 0.00323 -0.00016 0.00388 -0.00030 131 132 133 134 135 131 4YY 0.00074 132 4ZZ 0.00007 0.00098 133 4XY 0.00010 0.00013 0.00114 134 4XZ 0.00007 0.00029 -0.00021 0.00089 135 4YZ -0.00015 0.00046 0.00011 0.00021 0.00163 136 10 C 1S -0.00098 -0.00175 0.00258 -0.00294 0.00433 137 2S 0.00163 0.00213 -0.00497 0.00532 -0.00845 138 2PX 0.00292 0.00175 0.00172 -0.00115 -0.00778 139 2PY 0.00785 -0.00461 0.00275 -0.00848 0.00142 140 2PZ 0.00264 -0.00785 -0.00821 0.00295 -0.00583 141 3S 0.00080 0.00235 -0.00556 0.00623 -0.00931 142 3PX 0.00148 0.00071 0.00015 -0.00134 -0.00345 143 3PY 0.00370 -0.00106 0.00179 -0.00363 0.00222 144 3PZ 0.00134 -0.00337 -0.00403 0.00161 -0.00291 145 4XX 0.00012 -0.00032 -0.00020 -0.00033 0.00026 146 4YY -0.00003 -0.00020 0.00017 -0.00028 -0.00026 147 4ZZ -0.00021 0.00055 0.00030 0.00042 0.00048 148 4XY 0.00023 0.00026 0.00048 -0.00006 -0.00011 149 4XZ -0.00024 0.00034 -0.00003 0.00035 0.00020 150 4YZ -0.00019 0.00052 0.00009 0.00014 0.00049 151 11 C 1S -0.00128 0.00005 -0.00054 0.00076 0.00100 152 2S 0.00216 -0.00046 0.00114 -0.00175 -0.00199 153 2PX -0.00334 -0.00029 -0.00111 0.00211 0.00345 154 2PY -0.00478 -0.00050 -0.00220 0.00312 0.00493 155 2PZ 0.00343 -0.00053 0.00208 -0.00192 -0.00291 156 3S 0.00220 -0.00224 0.00126 -0.00229 -0.00293 157 3PX -0.00160 0.00051 -0.00116 0.00153 0.00188 158 3PY -0.00239 0.00000 -0.00137 0.00130 0.00165 159 3PZ 0.00138 -0.00057 0.00108 -0.00118 -0.00168 160 4XX 0.00006 -0.00006 0.00003 -0.00011 0.00006 161 4YY -0.00009 0.00017 -0.00005 0.00016 -0.00016 162 4ZZ -0.00007 -0.00004 -0.00010 0.00012 0.00016 163 4XY 0.00019 0.00014 0.00012 -0.00006 -0.00026 164 4XZ -0.00022 0.00014 0.00007 0.00010 0.00025 165 4YZ -0.00005 0.00006 0.00026 -0.00010 0.00025 166 12 H 1S -0.00175 -0.00006 -0.00157 0.00138 0.00115 167 2S -0.00188 0.00022 -0.00213 0.00223 0.00083 168 13 H 1S -0.00014 -0.00001 0.00094 0.00008 0.00081 169 2S -0.00076 0.00117 0.00124 0.00089 0.00223 170 14 C 1S -0.00003 0.00017 -0.00002 -0.00007 0.00016 171 2S 0.00039 -0.00045 -0.00016 0.00045 -0.00005 172 2PX 0.00058 0.00066 -0.00015 0.00050 -0.00094 173 2PY -0.00096 0.00007 0.00041 -0.00116 0.00050 174 2PZ -0.00006 -0.00003 0.00004 0.00039 -0.00020 175 3S 0.00081 -0.00147 -0.00026 0.00046 -0.00135 176 3PX 0.00054 0.00031 -0.00004 0.00046 -0.00062 177 3PY -0.00040 -0.00001 0.00046 -0.00085 0.00064 178 3PZ 0.00006 0.00028 0.00017 0.00035 0.00012 179 4XX 0.00010 0.00004 -0.00005 -0.00002 -0.00003 180 4YY -0.00016 0.00004 0.00005 -0.00003 0.00007 181 4ZZ 0.00005 -0.00003 0.00006 -0.00000 -0.00002 182 4XY 0.00006 0.00006 0.00015 -0.00015 -0.00012 183 4XZ -0.00001 0.00002 -0.00012 0.00016 0.00012 184 4YZ 0.00007 -0.00001 -0.00010 0.00011 0.00012 185 15 H 1S -0.00001 0.00028 0.00070 -0.00087 -0.00064 186 2S -0.00013 0.00056 0.00131 -0.00150 -0.00107 187 16 H 1S 0.00049 -0.00018 -0.00020 0.00043 0.00031 188 2S 0.00042 0.00043 0.00006 0.00047 0.00104 189 17 C 1S 0.00034 0.00007 -0.00109 0.00069 0.00053 190 2S -0.00098 -0.00023 0.00229 -0.00133 -0.00130 191 2PX 0.00270 0.00037 -0.00444 0.00357 0.00216 192 2PY 0.00248 0.00009 -0.00294 0.00285 0.00135 193 2PZ -0.00043 -0.00063 0.00264 -0.00188 -0.00141 194 3S -0.00034 -0.00114 0.00266 -0.00121 -0.00195 195 3PX 0.00081 0.00011 -0.00235 0.00106 0.00069 196 3PY 0.00065 0.00034 -0.00206 0.00119 0.00099 197 3PZ 0.00016 -0.00043 0.00145 -0.00095 -0.00140 198 4XX -0.00016 -0.00006 -0.00019 -0.00018 0.00013 199 4YY 0.00013 0.00010 0.00004 0.00005 -0.00000 200 4ZZ 0.00010 -0.00004 -0.00007 0.00019 -0.00002 201 4XY -0.00010 0.00002 0.00012 -0.00030 0.00000 202 4XZ 0.00018 0.00010 0.00010 0.00007 0.00001 203 4YZ 0.00009 0.00014 0.00005 -0.00003 0.00023 204 18 C 1S 0.00083 0.00118 0.00358 0.00303 -0.00124 205 2S -0.00262 -0.00308 -0.00654 -0.00577 0.00225 206 2PX 0.00237 0.00251 0.00701 0.00523 -0.00625 207 2PY -0.00743 -0.00281 0.00461 -0.00540 -0.00199 208 2PZ -0.00102 -0.00698 -0.00569 0.00554 -0.00455 209 3S -0.00260 -0.00375 -0.00691 -0.00650 0.00174 210 3PX 0.00034 0.00156 0.00340 0.00261 -0.00264 211 3PY -0.00380 -0.00089 0.00217 -0.00252 -0.00072 212 3PZ -0.00020 -0.00354 -0.00282 0.00264 -0.00210 213 4XX -0.00017 -0.00035 0.00010 -0.00013 -0.00037 214 4YY 0.00011 0.00024 0.00005 0.00022 0.00005 215 4ZZ 0.00024 0.00028 -0.00001 0.00019 0.00035 216 4XY 0.00013 0.00013 0.00059 -0.00034 -0.00003 217 4XZ 0.00022 0.00010 -0.00037 0.00025 -0.00024 218 4YZ 0.00002 0.00043 0.00006 -0.00028 0.00089 219 19 H 1S 0.00230 0.00396 -0.00194 -0.00301 0.00620 220 2S 0.00254 0.00519 0.00036 -0.00064 0.00676 221 20 H 1S 0.00186 -0.00256 -0.00530 0.00436 -0.00316 222 2S 0.00183 -0.00127 -0.00371 0.00540 -0.00409 223 21 H 1S 0.00112 0.00021 0.00041 0.00018 0.00032 224 2S 0.00145 0.00100 0.00017 0.00047 0.00172 225 22 H 1S 0.00005 -0.00005 -0.00165 0.00079 0.00087 226 2S -0.00017 -0.00023 -0.00228 0.00073 0.00136 227 23 H 1S -0.00383 0.00733 0.00190 0.00410 0.00191 228 2S -0.00303 0.00711 0.00330 0.00293 0.00555 229 24 H 1S -0.00029 0.00765 0.00399 0.00584 0.01480 230 2S 0.00051 0.00830 0.00367 0.00499 0.01341 231 25 H 1S 0.00646 -0.00055 0.00255 0.00341 0.00077 232 2S 0.00463 0.00148 0.00079 0.00442 0.00284 233 26 H 1S -0.00062 0.00358 -0.00207 -0.00338 -0.00588 234 2S -0.00141 0.00288 -0.00411 -0.00168 -0.00420 235 27 H 1S 0.00074 -0.00043 0.00037 -0.00001 -0.00088 236 2S 0.00092 -0.00090 0.00098 -0.00011 -0.00214 237 28 Br 1S 0.00014 0.00001 0.00015 0.00032 0.00009 238 2S -0.00065 -0.00005 -0.00077 -0.00162 -0.00049 239 3S 0.00040 0.00001 0.00064 0.00124 0.00048 240 4S 0.00060 0.00000 0.00101 0.00189 0.00077 241 5S 0.00021 -0.00058 -0.00053 -0.00087 -0.00109 242 6S -0.00064 0.00113 -0.00016 0.00041 0.00075 243 7PX -0.00011 -0.00042 0.00017 0.00023 -0.00009 244 7PY -0.00024 -0.00037 0.00014 0.00022 0.00002 245 7PZ -0.00064 -0.00041 0.00023 0.00006 -0.00035 246 8PX -0.00025 -0.00018 0.00005 0.00033 0.00036 247 8PY -0.00018 0.00022 -0.00048 0.00013 -0.00007 248 8PZ 0.00082 -0.00067 0.00014 0.00016 0.00073 249 9PX 0.00057 0.00063 -0.00035 -0.00104 -0.00081 250 9PY 0.00062 -0.00019 0.00089 -0.00053 0.00011 251 9PZ -0.00129 0.00177 -0.00060 -0.00049 -0.00127 252 10PX 0.00050 0.00071 -0.00045 -0.00082 -0.00076 253 10PY 0.00022 -0.00003 0.00075 -0.00043 0.00022 254 10PZ -0.00135 0.00152 -0.00076 -0.00059 -0.00105 255 11XX -0.00024 -0.00011 -0.00042 -0.00064 -0.00030 256 11YY -0.00022 0.00006 -0.00035 -0.00072 -0.00018 257 11ZZ -0.00031 -0.00000 -0.00029 -0.00077 -0.00025 258 11XY -0.00003 -0.00022 -0.00003 0.00011 -0.00006 259 11XZ -0.00015 -0.00015 0.00004 0.00008 -0.00016 260 11YZ -0.00014 -0.00009 0.00009 0.00011 0.00003 261 12XX -0.00009 -0.00022 -0.00005 -0.00030 -0.00012 262 12YY 0.00003 -0.00021 -0.00025 -0.00046 -0.00043 263 12ZZ 0.00004 -0.00013 -0.00030 -0.00053 -0.00043 264 12XY -0.00020 0.00021 0.00004 0.00008 0.00010 265 12XZ -0.00003 -0.00003 0.00001 0.00001 0.00032 266 12YZ 0.00002 0.00008 -0.00014 -0.00007 -0.00011 267 29 C 1S -0.00009 -0.00006 0.00019 0.00025 -0.00003 268 2S -0.00017 0.00012 -0.00016 -0.00044 -0.00007 269 2PX 0.00042 -0.00030 -0.00046 -0.00090 -0.00024 270 2PY 0.00029 0.00000 0.00070 0.00083 -0.00029 271 2PZ 0.00075 -0.00141 -0.00098 -0.00049 -0.00108 272 3S -0.00095 0.00105 0.00013 -0.00013 0.00078 273 3PX 0.00048 0.00010 -0.00008 -0.00004 0.00044 274 3PY 0.00027 -0.00041 0.00010 0.00036 -0.00056 275 3PZ 0.00061 -0.00174 -0.00096 -0.00082 -0.00143 276 4XX 0.00003 0.00002 0.00006 0.00006 -0.00001 277 4YY 0.00000 -0.00002 -0.00002 -0.00001 0.00001 278 4ZZ -0.00000 -0.00006 -0.00006 -0.00006 -0.00004 279 4XY -0.00004 0.00010 0.00012 -0.00006 -0.00004 280 4XZ -0.00005 0.00011 0.00009 -0.00002 -0.00002 281 4YZ -0.00000 -0.00001 -0.00003 0.00003 0.00006 282 30 H 1S 0.00010 -0.00029 -0.00011 0.00057 0.00005 283 2S 0.00054 -0.00049 -0.00042 0.00072 0.00065 284 31 H 1S 0.00022 -0.00034 -0.00060 -0.00071 -0.00028 285 2S 0.00012 0.00043 -0.00002 -0.00023 0.00004 286 32 H 1S 0.00010 0.00029 0.00046 -0.00015 -0.00014 287 2S 0.00001 0.00034 0.00064 -0.00016 -0.00035 288 33 H 1S 0.00004 -0.00011 -0.00009 0.00001 -0.00035 289 2S -0.00014 0.00031 0.00018 0.00025 0.00004 290 34 H 1S -0.00005 0.00003 0.00007 0.00005 -0.00008 291 2S -0.00001 -0.00001 0.00002 0.00010 -0.00014 292 35 H 1S 0.00002 -0.00014 -0.00020 -0.00012 -0.00010 293 2S 0.00003 -0.00018 -0.00022 -0.00009 -0.00024 294 36 H 1S -0.00008 0.00032 0.00039 0.00016 -0.00016 295 2S -0.00007 0.00047 0.00052 0.00024 -0.00040 296 37 H 1S 0.00000 0.00004 -0.00005 -0.00000 -0.00007 297 2S 0.00008 -0.00011 0.00004 0.00000 -0.00004 298 38 H 1S -0.00002 -0.00013 -0.00007 0.00001 0.00008 299 2S -0.00005 -0.00023 -0.00010 -0.00001 0.00021 300 39 H 1S 0.00012 -0.00007 -0.00013 -0.00005 -0.00015 301 2S 0.00016 -0.00020 -0.00015 -0.00012 -0.00037 302 40 H 1S -0.00007 0.00021 0.00025 -0.00018 0.00014 303 2S 0.00002 0.00039 0.00066 -0.00019 0.00006 136 137 138 139 140 136 10 C 1S 2.05270 137 2S -0.05303 0.30698 138 2PX -0.00330 0.01270 0.37673 139 2PY 0.00230 0.00423 0.01523 0.39776 140 2PZ 0.00532 -0.00270 0.00975 0.00228 0.39900 141 3S -0.20899 0.30124 -0.00913 -0.01878 -0.02583 142 3PX 0.00246 -0.00275 0.16038 0.01384 0.00867 143 3PY 0.00174 -0.00194 0.01776 0.18188 0.00314 144 3PZ -0.00419 0.00243 -0.00294 -0.00408 0.16616 145 4XX -0.01469 -0.00568 -0.00712 0.01062 0.00578 146 4YY -0.01490 -0.00488 0.00553 -0.00082 -0.00169 147 4ZZ -0.01585 -0.00317 -0.00003 -0.01187 -0.00744 148 4XY -0.00054 0.00128 0.00821 0.00463 -0.01092 149 4XZ -0.00040 0.00061 0.00375 -0.01147 -0.00238 150 4YZ -0.00122 0.00236 -0.01115 -0.00522 -0.01751 151 11 C 1S 0.01082 -0.01976 -0.03915 -0.04578 0.01401 152 2S -0.01971 0.03175 0.07785 0.09308 -0.02718 153 2PX 0.04220 -0.09065 -0.12212 -0.16151 0.05139 154 2PY 0.04485 -0.09536 -0.15143 -0.15563 0.05953 155 2PZ -0.01979 0.03902 0.05662 0.06913 -0.01194 156 3S 0.00341 0.01216 0.07561 0.09987 -0.01627 157 3PX 0.00713 -0.02534 -0.05380 -0.07313 0.02132 158 3PY 0.01020 -0.03102 -0.06581 -0.07425 0.02504 159 3PZ -0.00184 0.01054 0.02581 0.03045 -0.00096 160 4XX -0.00171 0.00253 -0.00560 0.00540 -0.00219 161 4YY -0.00200 0.00278 0.00394 -0.00630 -0.00192 162 4ZZ 0.00168 -0.00375 -0.00297 -0.00427 0.00541 163 4XY -0.00487 0.00927 0.00552 0.00599 -0.00673 164 4XZ 0.00191 -0.00411 -0.00249 -0.00650 -0.00424 165 4YZ 0.00209 -0.00440 -0.00651 -0.00331 -0.00625 166 12 H 1S 0.00828 -0.01926 -0.01191 -0.02699 0.02147 167 2S 0.01072 -0.02085 -0.00881 -0.05662 0.04310 168 13 H 1S 0.00701 -0.02132 -0.02432 -0.02858 -0.00738 169 2S 0.00951 -0.02471 -0.04198 -0.05836 -0.03006 170 14 C 1S -0.00269 0.00512 0.00746 0.00232 -0.00570 171 2S 0.00504 -0.01230 -0.01928 -0.00603 0.01380 172 2PX -0.01359 0.03057 0.03206 0.01990 -0.02083 173 2PY -0.00342 0.00439 0.00191 0.00635 -0.01028 174 2PZ 0.00304 -0.00829 -0.01530 -0.01638 -0.00645 175 3S 0.00775 -0.01161 -0.02651 -0.00110 0.02460 176 3PX -0.00934 0.01789 0.02636 0.01340 -0.01551 177 3PY -0.00098 0.00081 -0.00851 0.01012 -0.00276 178 3PZ 0.00114 -0.00333 -0.01302 -0.01316 -0.01369 179 4XX -0.00124 0.00212 0.00504 0.00372 -0.00239 180 4YY 0.00027 -0.00082 -0.00255 -0.00237 0.00018 181 4ZZ 0.00007 -0.00035 -0.00064 0.00021 0.00118 182 4XY -0.00115 0.00273 0.00421 0.00352 -0.00249 183 4XZ 0.00064 -0.00119 -0.00311 -0.00269 0.00133 184 4YZ 0.00055 -0.00135 -0.00203 -0.00154 0.00119 185 15 H 1S -0.00873 0.01754 0.02316 0.02312 -0.01540 186 2S -0.01010 0.02217 0.03848 0.02871 -0.02571 187 16 H 1S 0.00436 -0.00783 -0.00982 -0.00413 0.01481 188 2S 0.00265 -0.00647 -0.01420 -0.01125 0.00159 189 17 C 1S -0.00144 0.00323 0.00569 0.00046 0.00069 190 2S 0.00297 -0.00387 -0.01054 -0.00143 -0.00379 191 2PX -0.00510 0.01028 0.02039 -0.00149 0.00575 192 2PY 0.00099 0.00056 -0.00310 -0.00917 0.01059 193 2PZ -0.00082 0.00420 0.00680 0.01160 -0.00161 194 3S 0.00410 -0.01137 -0.02028 0.00310 0.01289 195 3PX -0.00253 0.00810 0.01517 -0.00126 -0.00254 196 3PY -0.00063 0.00111 0.00288 -0.00612 0.00857 197 3PZ -0.00212 0.00368 0.01074 0.00586 0.00084 198 4XX 0.00018 -0.00052 -0.00011 0.00059 -0.00019 199 4YY -0.00020 0.00070 0.00047 -0.00027 -0.00023 200 4ZZ -0.00005 0.00047 0.00018 -0.00026 0.00006 201 4XY 0.00001 0.00013 0.00007 0.00142 -0.00078 202 4XZ 0.00022 -0.00034 -0.00059 -0.00069 0.00107 203 4YZ 0.00021 -0.00040 -0.00015 0.00044 -0.00014 204 18 C 1S -0.00260 0.00484 0.00621 -0.00834 0.00174 205 2S 0.00471 -0.01162 -0.01554 0.01864 -0.00436 206 2PX -0.01120 0.02469 0.02252 -0.02765 0.01012 207 2PY 0.00556 -0.01365 -0.01598 0.01051 -0.02016 208 2PZ -0.00437 0.00668 -0.00174 -0.01522 0.00121 209 3S 0.00746 -0.01007 -0.02568 0.04474 0.00081 210 3PX -0.00793 0.01538 0.02238 -0.02339 0.00182 211 3PY 0.00306 -0.00563 -0.01305 0.00046 -0.01994 212 3PZ -0.00185 0.00304 -0.00968 -0.00488 0.00550 213 4XX -0.00068 0.00074 0.00166 -0.00198 0.00173 214 4YY -0.00052 0.00096 0.00130 -0.00143 0.00207 215 4ZZ 0.00024 -0.00068 -0.00172 0.00125 -0.00228 216 4XY 0.00091 -0.00165 -0.00306 0.00410 -0.00336 217 4XZ -0.00098 0.00218 0.00282 -0.00385 0.00297 218 4YZ 0.00083 -0.00185 -0.00202 0.00328 -0.00170 219 19 H 1S 0.00460 -0.00808 -0.00680 0.01831 -0.00315 220 2S 0.00365 -0.00715 -0.01099 0.00942 -0.01399 221 20 H 1S -0.00807 0.01604 0.01501 -0.02599 0.01974 222 2S -0.00964 0.02039 0.02806 -0.04732 0.02793 223 21 H 1S 0.00095 0.00131 0.00142 0.00213 0.00283 224 2S 0.00179 -0.00075 -0.00302 0.00203 0.00009 225 22 H 1S -0.00064 0.00002 0.00270 -0.00136 -0.00107 226 2S -0.00029 -0.00227 0.00087 -0.00009 0.00141 227 23 H 1S -0.05310 0.09649 -0.05297 -0.14897 -0.21960 228 2S -0.00083 0.00695 -0.04453 -0.12573 -0.18930 229 24 H 1S 0.00758 -0.02098 -0.01828 0.00405 -0.03175 230 2S 0.01125 -0.02620 -0.03203 -0.00507 -0.07468 231 25 H 1S -0.00126 0.00455 0.00315 -0.00552 0.00712 232 2S -0.00260 0.00555 0.00552 -0.01525 0.00784 233 26 H 1S -0.00491 0.01126 0.00892 -0.01902 0.01716 234 2S -0.00502 0.01147 0.00874 -0.03276 0.02817 235 27 H 1S -0.00073 0.00285 -0.00240 0.00018 0.00588 236 2S -0.00027 0.00319 0.00331 -0.00485 0.01359 237 28 Br 1S -0.00018 0.00057 -0.00103 -0.00111 -0.00019 238 2S 0.00124 -0.00322 0.00626 0.00688 0.00264 239 3S -0.00154 0.00307 -0.00685 -0.00773 -0.00511 240 4S -0.00259 0.00501 -0.01027 -0.01199 -0.00900 241 5S 0.00433 -0.00601 0.01625 0.02402 0.02571 242 6S -0.00381 0.00496 -0.01584 -0.02705 -0.02397 243 7PX 0.00135 -0.00153 0.00163 0.00364 0.00640 244 7PY 0.00121 -0.00371 0.00275 0.00084 0.00196 245 7PZ -0.00009 0.00309 -0.00039 -0.00406 -0.00276 246 8PX -0.00364 0.00722 -0.00739 -0.01362 -0.01826 247 8PY -0.00386 0.00937 -0.01205 -0.00502 -0.00455 248 8PZ 0.00176 -0.00380 -0.00047 0.00997 0.00858 249 9PX 0.00688 -0.01458 0.01568 0.02814 0.03537 250 9PY 0.00742 -0.01707 0.02488 0.01173 0.00934 251 9PZ -0.00391 0.00505 0.00195 -0.01729 -0.01569 252 10PX 0.00386 -0.00916 0.01065 0.01900 0.02870 253 10PY 0.00478 -0.01213 0.01697 0.00534 0.00004 254 10PZ -0.00372 0.00584 -0.00224 -0.01923 -0.01725 255 11XX 0.00099 -0.00187 0.00437 0.00520 0.00361 256 11YY 0.00071 -0.00195 0.00339 0.00351 0.00113 257 11ZZ 0.00045 -0.00083 0.00231 0.00249 0.00110 258 11XY 0.00028 -0.00045 0.00061 0.00166 0.00256 259 11XZ -0.00023 0.00109 -0.00054 -0.00120 -0.00017 260 11YZ -0.00012 0.00043 -0.00105 -0.00083 -0.00127 261 12XX 0.00047 -0.00091 0.00271 0.00397 0.00285 262 12YY 0.00118 -0.00186 0.00615 0.00817 0.00787 263 12ZZ 0.00148 -0.00274 0.00867 0.01065 0.00807 264 12XY -0.00064 0.00064 -0.00257 -0.00522 -0.00594 265 12XZ 0.00072 -0.00190 0.00114 0.00271 0.00013 266 12YZ 0.00039 -0.00087 0.00285 0.00103 0.00172 267 29 C 1S -0.00291 0.00432 -0.00419 0.00639 0.00627 268 2S 0.00441 -0.01085 0.01021 -0.01357 -0.01316 269 2PX 0.00620 -0.01097 0.01356 -0.00835 -0.00619 270 2PY -0.00548 0.01138 -0.01117 0.00832 0.01577 271 2PZ -0.00669 0.01854 -0.01526 0.02376 0.01705 272 3S 0.01122 -0.01722 0.00887 -0.03904 -0.04777 273 3PX 0.00420 -0.00521 0.00665 -0.00069 0.00175 274 3PY -0.00424 0.00734 -0.00660 0.00729 0.02035 275 3PZ -0.00493 0.01149 -0.00698 0.02659 0.02223 276 4XX -0.00062 0.00089 0.00026 0.00065 0.00070 277 4YY -0.00040 0.00010 -0.00076 0.00002 0.00005 278 4ZZ -0.00040 0.00017 -0.00117 0.00067 0.00031 279 4XY 0.00116 -0.00239 0.00507 -0.00300 -0.00390 280 4XZ 0.00106 -0.00216 0.00513 -0.00361 -0.00309 281 4YZ -0.00048 0.00079 -0.00289 0.00163 0.00154 282 30 H 1S -0.00715 0.01379 -0.02430 0.01562 0.01614 283 2S -0.00884 0.01872 -0.03936 0.03126 0.03128 284 31 H 1S 0.00264 -0.00302 0.00696 -0.00234 -0.00726 285 2S 0.00116 -0.00234 0.00962 -0.00700 -0.00623 286 32 H 1S 0.00415 -0.00881 0.01390 -0.01311 -0.01037 287 2S 0.00263 -0.00703 0.01859 -0.01266 -0.01377 288 33 H 1S 0.00515 -0.00946 0.01785 -0.00483 0.00630 289 2S 0.00270 -0.00679 0.01485 -0.01042 -0.00701 290 34 H 1S 0.00243 -0.00246 0.00602 -0.00843 -0.00129 291 2S 0.00073 -0.00153 0.00620 -0.00711 -0.00105 292 35 H 1S 0.00086 -0.00205 0.00135 0.00185 0.00348 293 2S 0.00140 -0.00331 0.00314 0.00090 0.00643 294 36 H 1S 0.00186 -0.00356 0.00972 -0.00619 -0.00330 295 2S 0.00314 -0.00570 0.02034 -0.01154 -0.00270 296 37 H 1S 0.00045 -0.00032 0.00139 -0.00077 0.00026 297 2S 0.00115 -0.00196 0.00422 -0.00017 0.00124 298 38 H 1S -0.00142 0.00258 -0.00503 0.00300 0.00187 299 2S -0.00196 0.00353 -0.00764 0.00562 0.00361 300 39 H 1S -0.00045 0.00041 -0.00240 0.00184 0.00534 301 2S -0.00072 0.00079 -0.00098 0.00292 0.00649 302 40 H 1S 0.00263 -0.00511 0.01237 -0.00151 -0.00574 303 2S 0.00290 -0.00570 0.02020 -0.00264 -0.01328 141 142 143 144 145 141 3S 0.35294 142 3PX -0.01884 0.07767 143 3PY -0.01065 0.01180 0.09448 144 3PZ -0.00027 -0.00288 -0.00496 0.07879 145 4XX -0.00596 -0.00199 0.00435 0.00230 0.00134 146 4YY -0.00395 0.00197 -0.00074 -0.00051 -0.00022 147 4ZZ -0.00112 -0.00033 -0.00443 -0.00343 -0.00051 148 4XY 0.00179 0.00243 0.00185 -0.00399 -0.00027 149 4XZ 0.00148 0.00076 -0.00457 -0.00083 -0.00049 150 4YZ 0.00484 -0.00459 -0.00274 -0.00643 -0.00018 151 11 C 1S 0.00344 -0.00715 -0.01065 -0.00025 -0.00166 152 2S 0.00534 0.02222 0.03215 -0.00666 0.00267 153 2PX -0.07886 -0.04133 -0.07572 0.02702 0.00812 154 2PY -0.08418 -0.08331 -0.07882 0.03543 -0.00469 155 2PZ 0.04587 0.01418 0.02234 0.01393 0.00057 156 3S -0.01115 0.01743 0.02821 0.00238 0.00351 157 3PX -0.01442 -0.01761 -0.02995 0.00986 0.00390 158 3PY -0.02279 -0.03514 -0.03641 0.01413 -0.00260 159 3PZ 0.01079 0.00637 0.00796 0.00743 0.00038 160 4XX 0.00378 -0.00168 0.00295 -0.00176 0.00029 161 4YY 0.00247 0.00129 -0.00323 -0.00055 -0.00040 162 4ZZ -0.00413 -0.00177 -0.00198 0.00305 -0.00010 163 4XY 0.01062 0.00193 0.00317 -0.00241 -0.00029 164 4XZ -0.00420 -0.00228 -0.00362 -0.00169 -0.00036 165 4YZ -0.00363 -0.00279 -0.00231 -0.00099 0.00025 166 12 H 1S -0.03345 -0.01508 -0.01533 0.00354 -0.00350 167 2S -0.03156 -0.00991 -0.02638 0.01058 -0.00377 168 13 H 1S -0.02203 -0.02466 -0.02529 0.01498 0.00012 169 2S -0.02228 -0.02726 -0.03437 0.00372 -0.00127 170 14 C 1S 0.00595 0.00361 -0.00079 -0.00389 -0.00158 171 2S -0.00985 -0.00087 -0.00328 0.00684 0.00296 172 2PX 0.06746 -0.00039 0.01731 -0.01492 -0.00857 173 2PY 0.04277 0.00464 0.02828 -0.01707 0.00200 174 2PZ -0.00762 -0.01395 -0.02041 -0.01692 0.00311 175 3S -0.00649 -0.00263 -0.00459 0.01219 0.00265 176 3PX 0.03542 0.00379 0.00915 -0.00864 -0.00384 177 3PY 0.01581 -0.00125 0.01698 -0.00824 0.00110 178 3PZ -0.00181 -0.00853 -0.01243 -0.01157 0.00082 179 4XX 0.00225 0.00224 0.00226 -0.00157 0.00008 180 4YY 0.00059 -0.00134 -0.00062 -0.00021 -0.00019 181 4ZZ -0.00219 -0.00064 -0.00050 0.00152 -0.00005 182 4XY 0.00446 0.00214 0.00305 -0.00136 -0.00028 183 4XZ -0.00217 -0.00157 -0.00165 0.00095 -0.00021 184 4YZ -0.00264 -0.00043 -0.00114 0.00208 0.00019 185 15 H 1S 0.05074 0.01034 0.02851 -0.01392 -0.00222 186 2S 0.04813 0.01597 0.02872 -0.01881 -0.00266 187 16 H 1S -0.02615 0.00166 -0.00524 0.02150 -0.00013 188 2S -0.02448 -0.00426 -0.00802 0.01565 -0.00097 189 17 C 1S 0.00307 0.00272 0.00109 0.00068 0.00006 190 2S -0.01215 -0.01300 -0.00296 -0.00427 -0.00047 191 2PX 0.01931 0.01150 0.00818 0.01552 0.00077 192 2PY -0.01830 -0.01171 -0.01409 0.00733 -0.00081 193 2PZ -0.00922 -0.00126 0.01703 0.00129 0.00015 194 3S -0.02320 -0.01649 -0.00227 0.00120 -0.00017 195 3PX 0.01210 0.00893 0.00335 0.00435 0.00033 196 3PY -0.00637 -0.00348 -0.00549 0.00376 -0.00055 197 3PZ -0.00246 0.00346 0.00750 0.00206 0.00021 198 4XX -0.00078 0.00083 0.00037 -0.00022 0.00035 199 4YY 0.00200 0.00018 0.00044 -0.00031 -0.00012 200 4ZZ 0.00005 -0.00036 -0.00040 0.00086 -0.00018 201 4XY -0.00046 -0.00012 0.00137 -0.00063 -0.00020 202 4XZ -0.00238 -0.00042 -0.00065 0.00070 -0.00005 203 4YZ -0.00246 -0.00008 0.00094 0.00033 0.00010 204 18 C 1S 0.00508 0.00355 -0.00585 -0.00061 -0.00120 205 2S -0.00691 -0.00065 0.01007 -0.00089 0.00221 206 2PX 0.05138 -0.00058 -0.01352 0.00616 -0.00595 207 2PY -0.01994 -0.00709 0.00464 -0.02404 0.00294 208 2PZ 0.04210 -0.01101 -0.03131 0.01379 0.00061 209 3S -0.00118 -0.00366 0.02228 -0.00233 0.00236 210 3PX 0.03038 0.00409 -0.00839 0.00038 -0.00321 211 3PY -0.00609 -0.00537 0.00031 -0.01462 0.00076 212 3PZ 0.01653 -0.00882 -0.01442 0.00876 0.00035 213 4XX 0.00056 0.00062 -0.00104 0.00067 0.00002 214 4YY 0.00029 0.00012 -0.00050 0.00080 -0.00012 215 4ZZ -0.00033 -0.00076 0.00065 -0.00048 -0.00007 216 4XY -0.00257 -0.00126 0.00237 -0.00174 -0.00000 217 4XZ 0.00268 0.00116 -0.00190 0.00204 -0.00026 218 4YZ -0.00431 -0.00020 0.00363 -0.00127 0.00021 219 19 H 1S -0.02732 0.00502 0.02352 -0.00171 0.00027 220 2S -0.02789 -0.00056 0.01934 -0.00493 -0.00049 221 20 H 1S 0.04290 0.00089 -0.02450 0.02081 -0.00215 222 2S 0.04099 0.00616 -0.03445 0.02209 -0.00298 223 21 H 1S -0.01764 -0.00676 0.00534 0.00609 -0.00039 224 2S -0.02003 -0.00574 0.00614 0.00654 -0.00045 225 22 H 1S 0.00985 0.00468 0.00229 0.00333 0.00145 226 2S 0.00726 0.00588 0.00239 0.00365 0.00245 227 23 H 1S 0.12097 -0.03141 -0.07017 -0.08513 -0.00844 228 2S 0.02159 -0.02475 -0.05511 -0.07010 -0.00684 229 24 H 1S -0.03252 -0.01503 0.02389 -0.02125 -0.00031 230 2S -0.03343 -0.01801 0.01579 -0.03474 -0.00091 231 25 H 1S -0.00150 0.00471 0.00374 0.00093 0.00009 232 2S -0.00258 0.00458 -0.00006 0.00098 -0.00052 233 26 H 1S 0.02435 0.01461 -0.01109 0.01151 0.00053 234 2S 0.02121 0.01198 -0.01908 0.01772 0.00028 235 27 H 1S -0.00728 0.00089 0.00139 0.00594 0.00026 236 2S -0.00530 0.00037 -0.00552 0.01038 0.00010 237 28 Br 1S 0.00216 0.00201 0.00250 -0.01078 -0.00014 238 2S -0.01166 -0.00879 -0.01083 0.05210 0.00069 239 3S 0.01035 0.00434 0.00534 -0.03623 -0.00044 240 4S 0.01698 0.00612 0.00700 -0.05468 -0.00067 241 5S -0.01101 0.00909 0.01324 0.00973 0.00065 242 6S -0.00023 -0.00347 -0.00606 -0.01612 -0.00106 243 7PX -0.01083 0.00717 0.00861 -0.00216 0.00036 244 7PY 0.00926 -0.00028 0.01198 -0.00537 0.00074 245 7PZ -0.01214 0.00611 0.01130 -0.00956 0.00089 246 8PX 0.01552 -0.00441 -0.00283 -0.02217 -0.00050 247 8PY 0.00247 0.00329 -0.00905 -0.00524 -0.00017 248 8PZ -0.01260 -0.00579 -0.00375 0.01153 0.00008 249 9PX -0.02486 0.00286 -0.00174 0.05198 0.00084 250 9PY -0.01627 -0.00631 0.00764 0.01812 -0.00035 251 9PZ 0.03911 0.00656 -0.00410 -0.01506 -0.00097 252 10PX -0.01807 0.00212 -0.00200 0.04120 0.00060 253 10PY -0.01100 -0.00519 0.00543 0.01033 -0.00068 254 10PZ 0.03043 0.00440 -0.00558 -0.01490 -0.00084 255 11XX -0.00705 -0.00205 -0.00201 0.02088 0.00031 256 11YY -0.00211 -0.00315 -0.00396 0.02209 0.00028 257 11ZZ -0.00695 -0.00440 -0.00600 0.02243 0.00024 258 11XY 0.00017 0.00448 0.00450 -0.00390 0.00018 259 11XZ -0.00264 0.00071 0.00275 -0.00065 0.00013 260 11YZ -0.00071 0.00134 0.00238 -0.00121 0.00011 261 12XX -0.00226 -0.00064 -0.00096 0.00818 0.00007 262 12YY -0.00340 0.00044 0.00132 0.01050 0.00049 263 12ZZ -0.00218 0.00312 0.00301 0.00988 0.00026 264 12XY 0.00090 -0.00160 -0.00323 -0.00163 -0.00010 265 12XZ -0.00208 0.00008 0.00104 0.00106 0.00016 266 12YZ 0.00016 0.00087 0.00059 0.00088 0.00007 267 29 C 1S 0.01279 -0.00544 0.00432 0.00683 0.00042 268 2S -0.01657 0.00979 -0.00645 -0.00972 -0.00131 269 2PX -0.05424 0.02657 -0.01394 -0.00953 -0.00050 270 2PY 0.03261 -0.02455 -0.00592 0.02339 0.00219 271 2PZ 0.01777 -0.01908 0.01305 0.00181 0.00357 272 3S -0.01847 0.00857 -0.01424 -0.02238 -0.00274 273 3PX -0.02521 0.01242 -0.00360 -0.00208 0.00000 274 3PY 0.01411 -0.00929 -0.00264 0.01382 0.00183 275 3PZ 0.00928 -0.00717 0.01026 0.00609 0.00274 276 4XX 0.00266 -0.00134 0.00028 0.00110 0.00006 277 4YY -0.00069 -0.00006 -0.00033 -0.00004 0.00007 278 4ZZ -0.00135 0.00062 0.00027 -0.00068 0.00008 279 4XY -0.00406 0.00313 -0.00208 -0.00162 -0.00019 280 4XZ -0.00327 0.00285 -0.00140 -0.00201 -0.00017 281 4YZ 0.00165 -0.00106 0.00081 0.00110 0.00010 282 30 H 1S 0.04197 -0.02790 0.01050 0.01373 0.00154 283 2S 0.04216 -0.03224 0.01817 0.02071 0.00227 284 31 H 1S -0.02202 0.00949 0.00158 -0.01491 0.00023 285 2S -0.01738 0.00870 -0.00070 -0.01233 0.00005 286 32 H 1S -0.02047 0.00869 -0.01570 0.00000 -0.00053 287 2S -0.01444 0.00703 -0.01443 -0.00045 -0.00070 288 33 H 1S -0.03164 0.01267 0.01394 -0.00200 -0.00088 289 2S -0.02141 0.00942 0.00989 -0.00547 -0.00178 290 34 H 1S -0.01712 0.00266 -0.01846 -0.00454 0.00020 291 2S -0.01077 -0.00055 -0.01645 -0.00266 -0.00010 292 35 H 1S -0.00674 0.00159 0.01093 -0.00138 0.00003 293 2S -0.01028 0.00310 0.01005 -0.00032 0.00001 294 36 H 1S -0.01516 0.00813 -0.00620 -0.00486 -0.00001 295 2S -0.01649 0.01174 -0.00782 -0.00473 -0.00028 296 37 H 1S -0.00648 0.00574 -0.00188 -0.00188 -0.00004 297 2S -0.00859 0.00603 0.00096 -0.00163 -0.00010 298 38 H 1S 0.00895 -0.00481 0.00363 0.00347 -0.00017 299 2S 0.01361 -0.00670 0.00598 0.00558 -0.00007 300 39 H 1S -0.00105 -0.00075 -0.00403 0.00514 0.00030 301 2S -0.00080 -0.00039 -0.00140 0.00264 0.00046 302 40 H 1S -0.01467 0.00943 -0.00339 -0.00391 0.00036 303 2S -0.01206 0.01028 -0.00320 -0.00763 0.00023 146 147 148 149 150 146 4YY 0.00076 147 4ZZ 0.00011 0.00107 148 4XY 0.00011 0.00013 0.00102 149 4XZ 0.00013 0.00038 -0.00008 0.00082 150 4YZ -0.00022 0.00042 0.00021 0.00021 0.00162 151 11 C 1S -0.00214 0.00152 -0.00445 0.00206 0.00226 152 2S 0.00289 -0.00352 0.00842 -0.00426 -0.00420 153 2PX -0.00583 0.00192 -0.00441 0.00073 0.00601 154 2PY 0.00651 0.00394 -0.00535 0.00608 0.00210 155 2PZ 0.00242 -0.00617 0.00601 0.00428 0.00713 156 3S 0.00328 -0.00480 0.00874 -0.00474 -0.00535 157 3PX -0.00351 0.00091 -0.00219 0.00069 0.00318 158 3PY 0.00307 0.00178 -0.00280 0.00289 0.00115 159 3PZ 0.00146 -0.00310 0.00258 0.00202 0.00283 160 4XX -0.00035 -0.00010 -0.00016 -0.00029 0.00015 161 4YY 0.00013 0.00022 0.00005 0.00030 0.00008 162 4ZZ 0.00025 0.00005 -0.00017 0.00023 -0.00004 163 4XY 0.00005 -0.00019 0.00045 0.00017 0.00041 164 4XZ 0.00036 0.00034 0.00008 0.00028 0.00015 165 4YZ -0.00001 -0.00002 0.00024 0.00020 0.00098 166 12 H 1S 0.00398 0.00268 -0.00101 -0.00091 -0.00653 167 2S 0.00257 0.00318 -0.00299 0.00073 -0.00569 168 13 H 1S 0.00392 -0.00168 0.00377 0.00359 0.00533 169 2S 0.00261 0.00070 0.00208 0.00450 0.00738 170 14 C 1S 0.00083 -0.00010 0.00016 0.00103 0.00011 171 2S -0.00212 -0.00009 -0.00047 -0.00189 -0.00027 172 2PX 0.00518 0.00034 0.00024 0.00553 0.00053 173 2PY -0.00179 -0.00043 0.00083 -0.00079 -0.00008 174 2PZ -0.00255 0.00002 0.00067 -0.00163 -0.00025 175 3S -0.00207 -0.00052 -0.00114 -0.00226 -0.00049 176 3PX 0.00235 0.00009 0.00105 0.00247 0.00010 177 3PY -0.00095 -0.00024 -0.00006 -0.00062 0.00000 178 3PZ -0.00109 0.00059 0.00046 -0.00070 0.00055 179 4XX -0.00005 -0.00004 0.00023 -0.00020 -0.00024 180 4YY 0.00014 0.00008 -0.00010 0.00019 0.00008 181 4ZZ 0.00012 -0.00004 -0.00002 0.00009 0.00012 182 4XY 0.00007 -0.00005 0.00009 0.00016 0.00010 183 4XZ 0.00008 0.00018 -0.00025 0.00007 -0.00004 184 4YZ -0.00002 -0.00003 0.00002 -0.00001 0.00020 185 15 H 1S 0.00096 -0.00030 0.00079 0.00132 -0.00001 186 2S 0.00130 -0.00037 0.00144 0.00133 -0.00007 187 16 H 1S 0.00068 0.00008 -0.00078 0.00013 0.00076 188 2S 0.00127 0.00050 -0.00027 0.00102 0.00202 189 17 C 1S -0.00004 -0.00000 0.00010 0.00010 0.00016 190 2S 0.00052 0.00036 -0.00010 -0.00035 -0.00031 191 2PX -0.00026 -0.00033 -0.00023 0.00034 0.00006 192 2PY 0.00079 0.00050 -0.00126 0.00064 -0.00053 193 2PZ 0.00008 0.00006 0.00093 -0.00088 0.00010 194 3S 0.00087 0.00007 -0.00077 -0.00124 -0.00171 195 3PX -0.00008 -0.00032 -0.00015 0.00009 -0.00001 196 3PY 0.00035 0.00032 -0.00099 0.00057 -0.00061 197 3PZ -0.00004 -0.00022 0.00068 -0.00063 -0.00011 198 4XX -0.00010 -0.00019 -0.00015 -0.00006 0.00002 199 4YY -0.00006 0.00011 0.00016 -0.00001 0.00001 200 4ZZ 0.00012 0.00005 -0.00001 0.00009 0.00003 201 4XY 0.00016 0.00002 0.00000 0.00004 -0.00000 202 4XZ -0.00001 0.00010 0.00003 -0.00009 -0.00004 203 4YZ -0.00001 0.00001 -0.00002 -0.00004 0.00005 204 18 C 1S -0.00053 0.00086 0.00111 0.00011 -0.00004 205 2S 0.00074 -0.00219 -0.00213 -0.00020 0.00013 206 2PX -0.00191 0.00489 0.00633 -0.00038 -0.00021 207 2PY 0.00102 -0.00289 -0.00330 0.00094 0.00024 208 2PZ 0.00014 -0.00120 -0.00087 0.00112 -0.00034 209 3S 0.00066 -0.00307 -0.00220 -0.00157 -0.00024 210 3PX -0.00071 0.00258 0.00279 0.00084 -0.00030 211 3PY 0.00059 -0.00091 -0.00140 0.00054 0.00087 212 3PZ 0.00012 -0.00070 -0.00055 0.00017 -0.00005 213 4XX 0.00022 -0.00019 -0.00019 0.00005 -0.00024 214 4YY -0.00011 0.00016 0.00006 0.00007 -0.00004 215 4ZZ -0.00012 0.00022 0.00021 -0.00004 0.00019 216 4XY 0.00004 0.00001 0.00024 -0.00027 0.00016 217 4XZ -0.00002 0.00010 0.00011 0.00003 -0.00004 218 4YZ -0.00007 0.00005 -0.00012 0.00002 0.00016 219 19 H 1S -0.00035 0.00084 0.00026 -0.00076 0.00081 220 2S -0.00082 0.00224 0.00093 -0.00007 0.00183 221 20 H 1S -0.00045 0.00112 0.00148 0.00041 -0.00076 222 2S -0.00038 0.00170 0.00127 0.00106 -0.00120 223 21 H 1S 0.00057 0.00048 -0.00001 -0.00026 -0.00007 224 2S 0.00045 0.00075 0.00020 0.00011 0.00070 225 22 H 1S -0.00059 -0.00062 -0.00040 -0.00008 0.00017 226 2S -0.00111 -0.00102 -0.00073 -0.00011 0.00043 227 23 H 1S -0.00079 0.00837 0.00403 0.00578 0.01466 228 2S 0.00032 0.00862 0.00372 0.00545 0.01339 229 24 H 1S -0.00431 0.00743 0.00076 0.00417 0.00221 230 2S -0.00360 0.00718 0.00230 0.00345 0.00588 231 25 H 1S -0.00076 0.00079 0.00013 0.00080 0.00086 232 2S -0.00146 0.00198 0.00027 0.00134 0.00090 233 26 H 1S -0.00061 -0.00052 -0.00112 0.00049 0.00047 234 2S -0.00041 -0.00060 -0.00177 0.00094 0.00012 235 27 H 1S 0.00016 0.00017 0.00050 -0.00053 -0.00077 236 2S 0.00018 -0.00001 0.00121 -0.00098 -0.00160 237 28 Br 1S -0.00010 -0.00005 0.00011 0.00003 0.00018 238 2S 0.00050 0.00012 -0.00051 -0.00020 -0.00098 239 3S -0.00039 0.00012 0.00033 0.00026 0.00086 240 4S -0.00063 0.00021 0.00047 0.00042 0.00133 241 5S 0.00048 -0.00131 0.00001 -0.00100 -0.00189 242 6S -0.00015 0.00137 0.00014 0.00100 0.00249 243 7PX 0.00058 -0.00033 0.00082 -0.00017 -0.00014 244 7PY 0.00033 -0.00012 0.00076 -0.00016 0.00008 245 7PZ 0.00078 0.00077 0.00070 -0.00017 0.00029 246 8PX -0.00084 0.00126 -0.00071 0.00022 0.00087 247 8PY -0.00058 0.00019 -0.00101 0.00023 -0.00031 248 8PZ -0.00041 -0.00081 -0.00042 0.00026 -0.00071 249 9PX 0.00132 -0.00248 0.00075 -0.00040 -0.00194 250 9PY 0.00099 -0.00033 0.00144 -0.00039 0.00045 251 9PZ 0.00024 0.00112 0.00023 -0.00040 0.00125 252 10PX 0.00105 -0.00192 0.00039 -0.00011 -0.00141 253 10PY 0.00083 0.00013 0.00114 -0.00024 0.00097 254 10PZ 0.00009 0.00107 0.00008 -0.00017 0.00150 255 11XX 0.00025 -0.00012 -0.00011 -0.00019 -0.00055 256 11YY 0.00029 0.00006 -0.00020 -0.00009 -0.00046 257 11ZZ 0.00012 0.00005 -0.00032 -0.00007 -0.00037 258 11XY 0.00019 -0.00018 0.00028 -0.00001 -0.00019 259 11XZ 0.00010 0.00009 0.00008 0.00000 0.00001 260 11YZ 0.00011 0.00011 0.00016 -0.00006 0.00005 261 12XX 0.00017 -0.00016 -0.00008 -0.00018 -0.00037 262 12YY 0.00005 -0.00048 -0.00004 -0.00024 -0.00079 263 12ZZ 0.00028 -0.00041 -0.00016 -0.00038 -0.00077 264 12XY -0.00002 0.00017 0.00017 0.00018 0.00042 265 12XZ 0.00001 -0.00014 0.00007 -0.00002 -0.00002 266 12YZ 0.00009 -0.00018 -0.00005 0.00008 -0.00008 267 29 C 1S -0.00071 -0.00111 0.00029 0.00034 -0.00092 268 2S 0.00095 0.00163 -0.00068 -0.00076 0.00178 269 2PX 0.00036 0.00100 -0.00008 -0.00024 0.00094 270 2PY -0.00210 -0.00257 0.00160 0.00167 -0.00349 271 2PZ -0.00149 -0.00373 0.00219 0.00250 -0.00442 272 3S 0.00085 0.00329 -0.00016 0.00021 0.00423 273 3PX -0.00023 0.00053 0.00002 -0.00007 0.00027 274 3PY -0.00149 -0.00154 0.00008 -0.00002 -0.00278 275 3PZ -0.00056 -0.00303 0.00044 0.00018 -0.00307 276 4XX -0.00007 -0.00011 0.00015 0.00011 -0.00020 277 4YY -0.00011 0.00006 0.00011 -0.00016 0.00001 278 4ZZ 0.00012 -0.00008 -0.00029 0.00002 0.00006 279 4XY 0.00013 0.00022 0.00016 0.00003 0.00012 280 4XZ 0.00016 0.00021 0.00009 0.00016 0.00003 281 4YZ -0.00009 -0.00001 -0.00016 -0.00028 0.00015 282 30 H 1S -0.00118 -0.00173 0.00026 0.00023 -0.00156 283 2S -0.00180 -0.00230 -0.00001 -0.00023 -0.00159 284 31 H 1S 0.00059 0.00003 0.00017 0.00100 -0.00021 285 2S 0.00046 0.00018 0.00005 0.00173 -0.00072 286 32 H 1S 0.00003 0.00066 0.00095 0.00032 0.00031 287 2S 0.00049 0.00036 0.00184 0.00083 0.00017 288 33 H 1S -0.00003 0.00112 0.00017 0.00045 -0.00036 289 2S 0.00004 0.00183 0.00066 0.00013 0.00083 290 34 H 1S -0.00002 0.00050 0.00080 -0.00014 -0.00027 291 2S 0.00010 0.00046 0.00145 -0.00032 -0.00058 292 35 H 1S -0.00004 0.00000 -0.00009 0.00002 -0.00019 293 2S -0.00005 0.00007 -0.00017 -0.00000 -0.00040 294 36 H 1S 0.00038 -0.00023 -0.00056 0.00089 -0.00037 295 2S 0.00071 -0.00009 -0.00062 0.00135 -0.00076 296 37 H 1S 0.00008 0.00004 0.00012 0.00013 -0.00015 297 2S 0.00010 0.00012 0.00008 0.00010 -0.00025 298 38 H 1S -0.00008 -0.00011 -0.00001 -0.00014 0.00012 299 2S -0.00016 -0.00017 -0.00002 -0.00029 0.00008 300 39 H 1S -0.00032 -0.00037 -0.00010 0.00002 -0.00037 301 2S -0.00026 -0.00048 -0.00011 0.00001 -0.00058 302 40 H 1S -0.00005 0.00005 0.00095 -0.00021 -0.00033 303 2S -0.00006 0.00038 0.00168 -0.00026 -0.00030 151 152 153 154 155 151 11 C 1S 2.05161 152 2S -0.05300 0.30418 153 2PX -0.00248 0.00826 0.38904 154 2PY -0.00424 0.00094 -0.01271 0.38895 155 2PZ 0.00129 -0.00562 0.00947 0.00180 0.40486 156 3S -0.19115 0.28568 0.00442 0.00627 0.00919 157 3PX -0.00003 0.00096 0.17995 -0.01851 0.00345 158 3PY 0.00129 0.00277 -0.00793 0.17320 -0.00410 159 3PZ -0.00093 -0.00146 0.00281 0.00993 0.18462 160 4XX -0.01517 -0.00566 0.00268 -0.00956 -0.00458 161 4YY -0.01671 -0.00290 -0.00381 0.00219 0.00131 162 4ZZ -0.01749 -0.00065 -0.00018 0.01330 0.00388 163 4XY 0.00055 -0.00122 -0.00799 -0.00577 0.01427 164 4XZ -0.00153 0.00319 -0.00381 0.01421 -0.00199 165 4YZ -0.00001 -0.00012 0.01430 0.00287 0.01859 166 12 H 1S -0.05369 0.10268 -0.10990 0.15353 -0.19160 167 2S -0.00588 0.02034 -0.09207 0.12724 -0.16217 168 13 H 1S -0.05272 0.09924 0.06490 0.15078 0.21070 169 2S -0.00376 0.01615 0.05699 0.12773 0.18348 170 14 C 1S 0.01035 -0.01935 -0.05142 0.02892 0.02129 171 2S -0.01903 0.03070 0.10406 -0.05848 -0.04471 172 2PX 0.05479 -0.11351 -0.21751 0.11857 0.09703 173 2PY -0.02421 0.05396 0.11137 -0.04820 -0.04868 174 2PZ -0.02561 0.05193 0.10009 -0.05221 -0.03513 175 3S 0.00569 0.00604 0.09616 -0.06456 -0.03847 176 3PX 0.01181 -0.03573 -0.09672 0.04516 0.04973 177 3PY -0.00504 0.01631 0.04646 -0.02194 -0.02551 178 3PZ -0.00697 0.01768 0.04409 -0.02235 -0.01819 179 4XX -0.00420 0.00744 -0.00004 -0.00667 -0.00648 180 4YY 0.00056 -0.00212 -0.00245 0.00771 0.00102 181 4ZZ 0.00125 -0.00330 -0.00358 0.00328 0.00730 182 4XY 0.00394 -0.00728 -0.00700 -0.00374 0.00573 183 4XZ 0.00299 -0.00581 -0.00643 0.00558 -0.00414 184 4YZ -0.00149 0.00280 0.00617 0.00140 0.00441 185 15 H 1S 0.00935 -0.02021 -0.02903 -0.00285 0.01203 186 2S 0.01065 -0.02101 -0.05595 -0.00650 0.02232 187 16 H 1S 0.00801 -0.02103 -0.01626 0.01876 0.02608 188 2S 0.01010 -0.02320 -0.02596 0.04349 0.05294 189 17 C 1S -0.00249 0.00471 0.00938 -0.00611 0.00397 190 2S 0.00456 -0.01239 -0.02453 0.01432 -0.00684 191 2PX -0.00857 0.02050 0.03016 -0.02164 -0.00628 192 2PY 0.00820 -0.02131 -0.03438 0.01312 -0.00926 193 2PZ 0.00013 0.00360 0.00713 -0.01750 0.00096 194 3S 0.00588 -0.00748 -0.03246 0.02623 -0.03310 195 3PX -0.00530 0.00951 0.01288 -0.01892 -0.00709 196 3PY 0.00610 -0.01277 -0.02670 0.01213 -0.01502 197 3PZ 0.00036 0.00170 0.01080 -0.02296 0.00501 198 4XX -0.00121 0.00246 0.00533 -0.00323 -0.00103 199 4YY -0.00053 0.00072 0.00178 -0.00121 -0.00003 200 4ZZ 0.00078 -0.00216 -0.00470 0.00276 0.00146 201 4XY 0.00134 -0.00271 -0.00680 0.00362 0.00104 202 4XZ 0.00008 -0.00039 0.00005 -0.00079 -0.00113 203 4YZ -0.00029 0.00082 0.00106 -0.00055 -0.00004 204 18 C 1S -0.00143 0.00320 0.00324 -0.00525 0.00023 205 2S 0.00323 -0.00406 -0.00448 0.01200 0.00124 206 2PX 0.00014 -0.00014 -0.01174 -0.00557 0.00753 207 2PY 0.00573 -0.01287 -0.00936 0.02137 0.00163 208 2PZ -0.00188 0.00016 0.00783 0.00024 0.00063 209 3S 0.00288 -0.01214 -0.02669 0.01024 -0.00852 210 3PX 0.00054 0.00045 -0.00480 -0.00057 0.00510 211 3PY 0.00352 -0.01154 -0.01067 0.01686 -0.00165 212 3PZ -0.00015 0.00015 0.00149 0.00789 0.00075 213 4XX -0.00011 0.00061 0.00128 0.00011 0.00014 214 4YY 0.00014 -0.00054 -0.00074 0.00020 -0.00032 215 4ZZ -0.00003 0.00041 0.00006 -0.00026 0.00041 216 4XY 0.00010 0.00015 -0.00148 -0.00025 0.00086 217 4XZ 0.00007 -0.00021 0.00012 0.00007 -0.00015 218 4YZ 0.00014 -0.00008 0.00064 0.00018 -0.00034 219 19 H 1S 0.00078 0.00175 -0.00070 -0.00294 -0.00138 220 2S 0.00148 -0.00093 0.00000 0.00236 0.00094 221 20 H 1S -0.00104 0.00088 0.00051 -0.00172 0.00028 222 2S -0.00035 -0.00198 0.00102 0.00097 -0.00490 223 21 H 1S 0.00387 -0.00773 -0.01617 0.00145 -0.00304 224 2S 0.00275 -0.00661 -0.01228 0.00944 0.01187 225 22 H 1S -0.00826 0.01778 0.03350 -0.01449 -0.00658 226 2S -0.00947 0.02223 0.05364 -0.02467 -0.00415 227 23 H 1S 0.00803 -0.02072 0.01730 0.02323 0.00943 228 2S 0.01126 -0.02456 0.03626 0.05448 0.03056 229 24 H 1S 0.00453 -0.00976 0.00986 0.00872 -0.01523 230 2S 0.00351 -0.00827 0.01501 0.01821 -0.00007 231 25 H 1S 0.00150 -0.00323 0.00175 0.00286 -0.00433 232 2S 0.00223 -0.00496 0.00316 0.00579 -0.00987 233 26 H 1S 0.00139 -0.00336 0.00475 0.00806 -0.00184 234 2S 0.00281 -0.00589 0.00901 0.01744 -0.00712 235 27 H 1S -0.00088 0.00166 -0.00170 -0.00249 0.00114 236 2S -0.00165 0.00289 -0.00343 -0.00408 0.00077 237 28 Br 1S 0.00012 0.00020 0.00054 0.00061 -0.00001 238 2S -0.00070 -0.00056 -0.00334 -0.00360 0.00009 239 3S 0.00077 -0.00037 0.00376 0.00379 -0.00019 240 4S 0.00116 -0.00065 0.00545 0.00542 -0.00017 241 5S -0.00215 0.00529 -0.01146 -0.01100 -0.00060 242 6S 0.00241 -0.00532 0.01443 0.01525 0.00239 243 7PX -0.00042 0.00166 -0.00125 -0.00137 0.00018 244 7PY -0.00014 0.00207 -0.00143 -0.00060 0.00057 245 7PZ 0.00021 0.00035 0.00013 0.00104 0.00031 246 8PX 0.00157 -0.00309 0.00478 0.00527 -0.00066 247 8PY 0.00103 -0.00280 0.00527 0.00287 -0.00194 248 8PZ -0.00048 0.00015 -0.00026 -0.00318 -0.00153 249 9PX -0.00319 0.00543 -0.00998 -0.01107 0.00132 250 9PY -0.00228 0.00428 -0.01099 -0.00639 0.00368 251 9PZ 0.00078 -0.00067 0.00012 0.00580 0.00324 252 10PX -0.00219 0.00368 -0.00602 -0.00687 0.00013 253 10PY -0.00136 0.00249 -0.00641 -0.00372 0.00391 254 10PZ 0.00115 -0.00203 0.00299 0.00779 0.00341 255 11XX -0.00051 0.00045 -0.00244 -0.00281 -0.00009 256 11YY -0.00032 0.00007 -0.00188 -0.00178 0.00022 257 11ZZ -0.00028 -0.00058 -0.00124 -0.00120 0.00011 258 11XY -0.00007 0.00084 -0.00055 -0.00073 -0.00031 259 11XZ 0.00010 -0.00008 0.00033 0.00043 0.00002 260 11YZ 0.00010 0.00013 0.00016 0.00039 0.00023 261 12XX -0.00032 0.00061 -0.00263 -0.00165 0.00049 262 12YY -0.00091 0.00153 -0.00414 -0.00499 -0.00030 263 12ZZ -0.00104 0.00196 -0.00568 -0.00575 0.00002 264 12XY 0.00031 -0.00077 0.00191 0.00223 0.00078 265 12XZ -0.00024 0.00042 -0.00078 -0.00102 0.00001 266 12YZ -0.00015 0.00021 -0.00030 -0.00110 -0.00024 267 29 C 1S -0.00149 0.00279 -0.00359 0.00158 0.00602 268 2S 0.00276 -0.00486 0.00580 -0.00318 -0.01407 269 2PX 0.00463 -0.00880 0.00218 -0.01515 -0.02251 270 2PY 0.00103 -0.00348 -0.00540 -0.01527 -0.00966 271 2PZ -0.00472 0.00920 -0.01378 -0.00385 0.01438 272 3S 0.00561 -0.01040 0.02783 -0.00802 -0.01970 273 3PX 0.00274 -0.00482 0.00277 -0.01050 -0.01052 274 3PY 0.00248 -0.00388 0.00006 -0.02019 -0.02636 275 3PZ -0.00294 0.00590 -0.01453 -0.00708 0.00520 276 4XX -0.00029 0.00045 -0.00114 -0.00017 0.00092 277 4YY 0.00012 -0.00022 -0.00012 -0.00079 -0.00117 278 4ZZ -0.00014 0.00005 0.00074 0.00080 -0.00003 279 4XY 0.00025 -0.00034 -0.00084 -0.00132 -0.00088 280 4XZ 0.00007 0.00002 -0.00018 -0.00033 -0.00034 281 4YZ 0.00010 -0.00014 0.00085 0.00027 0.00014 282 30 H 1S -0.00188 0.00312 -0.00050 0.00328 0.00760 283 2S -0.00217 0.00351 0.00039 0.00613 0.01563 284 31 H 1S -0.00045 0.00160 -0.00185 0.00024 0.00014 285 2S -0.00042 0.00134 -0.00115 0.00182 -0.00098 286 32 H 1S 0.00278 -0.00585 -0.00195 -0.00833 -0.01073 287 2S -0.00180 0.00081 -0.01385 0.00828 0.01455 288 33 H 1S 0.00088 -0.00054 0.00283 -0.00129 0.00411 289 2S -0.00000 0.00009 0.00075 0.00104 0.00099 290 34 H 1S 0.00309 -0.00633 0.00853 -0.01009 0.01018 291 2S -0.00035 -0.00130 -0.00981 0.00346 0.00557 292 35 H 1S 0.00002 0.00031 -0.00001 -0.00051 -0.00021 293 2S 0.00022 0.00003 0.00125 -0.00097 -0.00123 294 36 H 1S 0.00022 -0.00048 0.00048 0.00210 0.00020 295 2S 0.00030 -0.00058 -0.00090 0.00174 0.00081 296 37 H 1S 0.00013 -0.00008 0.00000 -0.00056 -0.00008 297 2S 0.00016 0.00015 -0.00143 -0.00040 -0.00004 298 38 H 1S -0.00056 0.00095 -0.00118 0.00175 -0.00194 299 2S -0.00096 0.00175 -0.00259 0.00216 -0.00396 300 39 H 1S 0.00015 -0.00058 0.00120 -0.00100 -0.00220 301 2S -0.00011 0.00024 -0.00031 -0.00075 -0.00089 302 40 H 1S -0.00150 0.00257 -0.00591 -0.00434 0.00327 303 2S -0.00213 0.00377 -0.01109 -0.00706 0.00736 156 157 158 159 160 156 3S 0.29955 157 3PX -0.00074 0.08986 158 3PY 0.00086 -0.00824 0.08027 159 3PZ 0.00495 -0.00122 0.00220 0.08637 160 4XX -0.00518 0.00163 -0.00404 -0.00222 0.00105 161 4YY -0.00154 -0.00187 0.00110 0.00065 -0.00013 162 4ZZ 0.00067 -0.00056 0.00569 0.00201 -0.00038 163 4XY -0.00114 -0.00262 -0.00250 0.00600 0.00001 164 4XZ 0.00385 -0.00226 0.00623 -0.00056 -0.00048 165 4YZ 0.00024 0.00601 0.00083 0.00841 -0.00024 166 12 H 1S 0.09616 -0.05693 0.07184 -0.08213 -0.00422 167 2S 0.01560 -0.04758 0.05898 -0.06838 -0.00281 168 13 H 1S 0.10317 0.02265 0.06448 0.09924 -0.00790 169 2S 0.01706 0.01905 0.05310 0.08500 -0.00640 170 14 C 1S 0.00848 -0.01076 0.00670 0.00462 -0.00410 171 2S 0.00072 0.03304 -0.01872 -0.01431 0.00709 172 2PX -0.11112 -0.10001 0.05805 0.04904 0.00285 173 2PY 0.03294 0.07187 -0.01840 -0.02716 0.00749 174 2PZ 0.07110 0.04917 -0.02336 -0.01582 0.00528 175 3S -0.02208 0.02693 -0.02149 -0.01035 0.00728 176 3PX -0.03267 -0.04346 0.02212 0.02436 0.00115 177 3PY 0.00546 0.03019 -0.00858 -0.01376 0.00389 178 3PZ 0.02589 0.02086 -0.00995 -0.00844 0.00244 179 4XX 0.00759 0.00108 -0.00298 -0.00350 0.00016 180 4YY -0.00213 -0.00086 0.00390 0.00069 -0.00002 181 4ZZ -0.00349 -0.00279 0.00093 0.00354 -0.00042 182 4XY -0.00936 -0.00320 -0.00132 0.00280 0.00038 183 4XZ -0.00529 -0.00372 0.00217 -0.00184 -0.00019 184 4YZ 0.00241 0.00231 0.00020 0.00183 -0.00048 185 15 H 1S -0.04394 -0.00903 0.00580 0.00762 0.00663 186 2S -0.03559 -0.01874 0.00244 0.01108 0.00423 187 16 H 1S -0.03621 -0.02262 0.00792 0.01491 -0.00382 188 2S -0.03194 -0.02327 0.01590 0.02505 -0.00541 189 17 C 1S 0.00543 0.00695 -0.00357 0.00327 -0.00067 190 2S -0.00459 -0.01449 0.00503 -0.00283 0.00085 191 2PX 0.04197 0.03255 -0.01951 -0.01901 -0.00192 192 2PY -0.02865 -0.03364 -0.00291 -0.00192 0.00229 193 2PZ -0.02392 -0.00024 -0.01818 -0.00056 -0.00151 194 3S 0.00423 -0.01857 0.00925 -0.01466 0.00038 195 3PX 0.01838 0.01450 -0.01174 -0.01038 -0.00056 196 3PY -0.01704 -0.01866 0.00209 -0.00603 0.00084 197 3PZ -0.01096 0.00263 -0.01490 0.00187 -0.00037 198 4XX 0.00335 0.00347 -0.00115 -0.00079 -0.00004 199 4YY -0.00021 0.00088 -0.00036 -0.00009 0.00025 200 4ZZ -0.00285 -0.00307 0.00074 0.00075 -0.00015 201 4XY -0.00461 -0.00370 0.00168 0.00086 -0.00010 202 4XZ -0.00172 -0.00138 -0.00072 -0.00028 0.00003 203 4YZ 0.00101 0.00096 -0.00114 -0.00074 -0.00027 204 18 C 1S 0.00295 0.00133 -0.00309 -0.00052 -0.00009 205 2S -0.01247 -0.00299 0.01107 0.00073 0.00059 206 2PX -0.00567 -0.00817 -0.00192 0.00620 -0.00071 207 2PY -0.01560 -0.00076 0.01649 0.01111 -0.00009 208 2PZ 0.02819 0.00311 -0.00692 0.00056 -0.00039 209 3S -0.02080 -0.01316 0.01114 -0.00245 0.00208 210 3PX -0.00351 -0.00117 0.00106 0.00348 -0.00043 211 3PY -0.01397 -0.00349 0.01117 0.00406 -0.00010 212 3PZ 0.01200 -0.00111 -0.00011 0.00085 -0.00035 213 4XX 0.00204 0.00099 -0.00002 -0.00003 -0.00010 214 4YY -0.00149 -0.00069 -0.00004 -0.00000 -0.00001 215 4ZZ 0.00041 -0.00010 -0.00031 -0.00015 0.00004 216 4XY -0.00060 -0.00114 -0.00018 0.00050 0.00010 217 4XZ -0.00117 -0.00034 -0.00009 -0.00019 -0.00010 218 4YZ -0.00201 0.00081 -0.00008 -0.00066 0.00005 219 19 H 1S -0.01685 -0.00135 -0.00004 -0.00574 0.00058 220 2S -0.02001 -0.00141 -0.00081 -0.00463 -0.00004 221 20 H 1S 0.01054 -0.00322 -0.00334 -0.00177 -0.00041 222 2S 0.00802 -0.00309 -0.00160 -0.00288 -0.00103 223 21 H 1S -0.01909 -0.01406 -0.01046 -0.00453 -0.00074 224 2S -0.02074 -0.01244 -0.00549 0.00255 -0.00165 225 22 H 1S 0.04172 0.03116 -0.00681 -0.01179 -0.00069 226 2S 0.04087 0.03967 -0.01104 -0.00932 -0.00040 227 23 H 1S -0.03749 0.01393 0.01620 -0.00067 0.00016 228 2S -0.03847 0.01696 0.02548 0.01038 -0.00166 229 24 H 1S -0.02552 0.01232 -0.00111 -0.01271 0.00015 230 2S -0.02766 0.01221 0.00346 -0.00533 -0.00019 231 25 H 1S -0.01210 0.00374 0.00156 -0.00166 -0.00032 232 2S -0.01536 0.00415 0.00226 -0.00526 -0.00040 233 26 H 1S -0.00930 0.00653 0.00845 0.00011 -0.00072 234 2S -0.00916 0.00737 0.01170 -0.00226 -0.00100 235 27 H 1S 0.00631 -0.00332 -0.00276 0.00138 0.00008 236 2S 0.01214 -0.00629 -0.00510 0.00201 -0.00010 237 28 Br 1S -0.00506 0.00185 0.00127 0.00104 -0.00018 238 2S 0.02447 -0.00904 -0.00628 -0.00486 0.00084 239 3S -0.01726 0.00659 0.00471 0.00306 -0.00052 240 4S -0.02552 0.00956 0.00676 0.00461 -0.00077 241 5S 0.00558 -0.00506 -0.00419 0.00039 -0.00011 242 6S -0.01279 0.00999 0.00844 0.00102 -0.00006 243 7PX -0.00307 0.00098 0.00029 0.00098 -0.00019 244 7PY -0.00908 0.00406 0.00238 0.00053 -0.00029 245 7PZ -0.00782 0.00387 0.00306 0.00088 -0.00025 246 8PX -0.01270 0.00477 0.00506 -0.00231 -0.00003 247 8PY -0.00335 -0.00034 0.00184 -0.00256 0.00038 248 8PZ 0.01143 -0.00404 -0.00518 0.00052 0.00031 249 9PX 0.03191 -0.01202 -0.01188 0.00416 0.00023 250 9PY 0.01737 -0.00430 -0.00686 0.00511 -0.00055 251 9PZ -0.01619 0.00432 0.00790 -0.00186 -0.00045 252 10PX 0.02341 -0.00832 -0.00795 0.00303 0.00022 253 10PY 0.01124 -0.00156 -0.00432 0.00414 -0.00032 254 10PZ -0.01484 0.00517 0.00784 -0.00097 -0.00036 255 11XX 0.00965 -0.00369 -0.00283 -0.00204 0.00032 256 11YY 0.00913 -0.00399 -0.00224 -0.00234 0.00035 257 11ZZ 0.01231 -0.00410 -0.00322 -0.00147 0.00033 258 11XY -0.00484 0.00091 0.00139 -0.00024 -0.00003 259 11XZ -0.00158 0.00079 0.00065 -0.00015 -0.00004 260 11YZ -0.00250 0.00057 0.00078 -0.00048 -0.00001 261 12XX 0.00471 -0.00284 -0.00149 -0.00030 0.00007 262 12YY 0.00653 -0.00305 -0.00328 -0.00043 0.00007 263 12ZZ 0.00511 -0.00356 -0.00273 -0.00064 0.00008 264 12XY 0.00001 0.00078 0.00071 0.00043 -0.00004 265 12XZ 0.00127 -0.00022 -0.00091 -0.00003 0.00001 266 12YZ 0.00015 0.00023 -0.00016 0.00008 -0.00003 267 29 C 1S 0.00540 0.00090 -0.00005 0.00264 -0.00011 268 2S -0.01161 -0.00056 0.00030 -0.00650 0.00002 269 2PX -0.02085 -0.01230 -0.00975 -0.01060 0.00035 270 2PY 0.00829 -0.01150 -0.01361 -0.00441 0.00061 271 2PZ 0.02642 0.00098 -0.00690 0.01141 0.00030 272 3S -0.01886 0.01195 -0.00142 -0.01024 0.00026 273 3PX -0.01091 -0.00460 -0.00650 -0.00586 0.00024 274 3PY 0.00152 -0.00499 -0.01209 -0.01208 0.00100 275 3PZ 0.01586 -0.00408 -0.00551 0.00525 0.00040 276 4XX 0.00121 -0.00057 -0.00035 0.00041 -0.00003 277 4YY 0.00002 -0.00034 -0.00073 -0.00059 0.00004 278 4ZZ -0.00056 0.00060 0.00084 0.00013 0.00004 279 4XY -0.00089 -0.00140 -0.00083 -0.00050 -0.00010 280 4XZ -0.00018 0.00002 -0.00006 -0.00008 -0.00012 281 4YZ -0.00027 0.00061 0.00028 -0.00020 0.00006 282 30 H 1S 0.01329 0.00497 0.00076 0.00406 0.00038 283 2S 0.01248 0.00562 0.00134 0.00693 0.00057 284 31 H 1S 0.00045 0.00207 0.00030 0.00260 -0.00008 285 2S 0.00012 0.00227 0.00150 0.00174 -0.00016 286 32 H 1S -0.00940 -0.01352 -0.00768 -0.00547 -0.00019 287 2S 0.00133 -0.01622 -0.00046 0.00709 -0.00120 288 33 H 1S -0.01048 0.00567 -0.00385 0.00207 -0.00035 289 2S -0.00875 0.00412 -0.00155 -0.00060 -0.00048 290 34 H 1S -0.00712 -0.00383 -0.00959 0.01374 0.00072 291 2S 0.00106 -0.01212 -0.00347 0.01004 0.00003 292 35 H 1S -0.00453 0.00258 -0.00051 -0.00068 -0.00008 293 2S -0.00487 0.00309 -0.00119 -0.00093 -0.00007 294 36 H 1S -0.00033 -0.00018 0.00181 0.00078 -0.00021 295 2S -0.00080 -0.00074 0.00181 0.00145 -0.00046 296 37 H 1S -0.00049 0.00065 -0.00035 -0.00081 0.00004 297 2S -0.00119 0.00050 -0.00055 -0.00111 -0.00006 298 38 H 1S 0.00287 -0.00039 0.00205 -0.00221 -0.00004 299 2S 0.00363 -0.00027 0.00250 -0.00416 -0.00001 300 39 H 1S 0.00295 0.00109 -0.00258 -0.00202 0.00014 301 2S 0.00300 0.00138 -0.00186 -0.00098 0.00007 302 40 H 1S 0.00738 -0.00609 -0.00333 0.00346 -0.00043 303 2S 0.00846 -0.00792 -0.00537 0.00517 -0.00059 161 162 163 164 165 161 4YY 0.00048 162 4ZZ 0.00023 0.00081 163 4XY 0.00008 -0.00008 0.00114 164 4XZ 0.00022 0.00033 -0.00027 0.00091 165 4YZ -0.00005 0.00032 0.00033 -0.00010 0.00176 166 12 H 1S 0.00100 0.00330 -0.00777 0.00893 -0.01210 167 2S 0.00171 0.00250 -0.00698 0.00711 -0.01110 168 13 H 1S 0.00067 0.00747 0.00366 0.00513 0.01405 169 2S 0.00144 0.00666 0.00372 0.00373 0.01360 170 14 C 1S 0.00061 0.00099 0.00341 0.00308 -0.00138 171 2S -0.00210 -0.00288 -0.00658 -0.00559 0.00249 172 2PX 0.00228 0.00172 0.00769 0.00454 -0.00587 173 2PY -0.00675 -0.00240 0.00443 -0.00531 -0.00206 174 2PZ -0.00073 -0.00810 -0.00582 0.00520 -0.00430 175 3S -0.00208 -0.00310 -0.00623 -0.00613 0.00246 176 3PX 0.00103 0.00050 0.00387 0.00208 -0.00251 177 3PY -0.00328 -0.00119 0.00193 -0.00251 -0.00125 178 3PZ -0.00018 -0.00372 -0.00257 0.00251 -0.00163 179 4XX -0.00017 -0.00031 0.00009 -0.00010 -0.00048 180 4YY 0.00002 0.00023 0.00012 0.00020 -0.00005 181 4ZZ 0.00022 0.00036 0.00009 0.00006 0.00047 182 4XY -0.00006 -0.00001 0.00067 -0.00049 0.00001 183 4XZ 0.00024 0.00019 -0.00031 0.00029 -0.00024 184 4YZ 0.00001 0.00042 -0.00002 -0.00022 0.00083 185 15 H 1S -0.00275 -0.00072 0.00464 -0.00392 -0.00220 186 2S -0.00170 -0.00063 0.00583 -0.00248 -0.00270 187 16 H 1S 0.00169 0.00467 -0.00133 -0.00334 0.00617 188 2S 0.00202 0.00541 0.00064 -0.00107 0.00660 189 17 C 1S -0.00058 0.00033 0.00108 -0.00109 0.00077 190 2S 0.00108 -0.00099 -0.00208 0.00234 -0.00185 191 2PX -0.00171 0.00188 0.00366 -0.00312 0.00209 192 2PY 0.00164 -0.00178 -0.00456 0.00393 -0.00303 193 2PZ -0.00185 0.00277 0.00373 -0.00275 0.00126 194 3S 0.00080 -0.00081 -0.00315 0.00324 -0.00360 195 3PX -0.00067 0.00045 0.00168 -0.00177 0.00073 196 3PY 0.00087 -0.00069 -0.00209 0.00217 -0.00261 197 3PZ -0.00087 0.00086 0.00173 -0.00202 0.00101 198 4XX -0.00009 -0.00007 -0.00001 -0.00018 0.00016 199 4YY -0.00011 -0.00010 0.00010 -0.00007 -0.00007 200 4ZZ 0.00011 0.00023 0.00003 0.00002 0.00009 201 4XY 0.00004 0.00022 0.00025 0.00008 -0.00014 202 4XZ 0.00009 -0.00002 -0.00031 0.00006 0.00002 203 4YZ -0.00004 0.00019 0.00015 -0.00003 0.00016 204 18 C 1S 0.00007 0.00003 -0.00006 -0.00002 0.00020 205 2S -0.00044 0.00032 0.00029 -0.00008 -0.00024 206 2PX 0.00067 0.00024 0.00147 -0.00037 -0.00075 207 2PY -0.00012 0.00019 0.00042 0.00011 -0.00039 208 2PZ 0.00034 -0.00066 -0.00084 0.00025 0.00038 209 3S -0.00106 -0.00013 0.00055 -0.00051 -0.00183 210 3PX 0.00036 0.00022 0.00134 -0.00031 -0.00050 211 3PY 0.00009 0.00040 0.00048 0.00014 0.00003 212 3PZ 0.00018 0.00005 -0.00071 0.00032 0.00033 213 4XX -0.00003 0.00007 0.00012 -0.00013 0.00006 214 4YY 0.00009 -0.00002 -0.00013 0.00010 -0.00016 215 4ZZ -0.00001 -0.00003 -0.00004 0.00007 0.00012 216 4XY -0.00010 0.00000 0.00010 -0.00000 0.00011 217 4XZ 0.00010 0.00008 -0.00001 -0.00001 -0.00008 218 4YZ -0.00016 0.00014 0.00014 -0.00009 0.00011 219 19 H 1S -0.00053 0.00055 0.00030 -0.00011 0.00026 220 2S -0.00031 0.00108 0.00039 0.00014 0.00109 221 20 H 1S 0.00084 -0.00030 -0.00063 0.00035 -0.00059 222 2S 0.00164 -0.00036 -0.00140 0.00088 -0.00111 223 21 H 1S -0.00009 0.00145 0.00032 0.00020 -0.00009 224 2S 0.00001 0.00239 0.00086 -0.00014 0.00162 225 22 H 1S -0.00080 -0.00003 0.00109 -0.00146 0.00128 226 2S -0.00124 -0.00028 0.00094 -0.00204 0.00190 227 23 H 1S 0.00394 -0.00147 0.00450 0.00388 0.00520 228 2S 0.00294 0.00093 0.00258 0.00439 0.00761 229 24 H 1S -0.00046 0.00069 -0.00055 0.00122 0.00038 230 2S -0.00016 0.00099 0.00021 0.00187 0.00254 231 25 H 1S 0.00012 0.00038 -0.00021 0.00005 -0.00063 232 2S 0.00036 0.00048 -0.00045 0.00041 -0.00092 233 26 H 1S 0.00057 0.00030 -0.00023 -0.00002 -0.00056 234 2S 0.00079 0.00067 -0.00072 0.00026 -0.00083 235 27 H 1S -0.00006 -0.00007 0.00004 -0.00013 0.00006 236 2S 0.00009 -0.00008 -0.00005 -0.00019 -0.00018 237 28 Br 1S -0.00014 0.00018 -0.00013 -0.00014 -0.00006 238 2S 0.00064 -0.00083 0.00059 0.00059 0.00022 239 3S -0.00036 0.00054 -0.00036 -0.00026 0.00000 240 4S -0.00052 0.00077 -0.00049 -0.00037 0.00003 241 5S -0.00041 0.00003 -0.00032 -0.00082 -0.00100 242 6S 0.00028 0.00033 0.00013 0.00078 0.00102 243 7PX -0.00028 0.00022 -0.00031 -0.00020 -0.00017 244 7PY -0.00003 0.00036 -0.00046 -0.00000 0.00000 245 7PZ 0.00008 0.00015 -0.00014 0.00015 0.00020 246 8PX 0.00040 -0.00010 0.00032 0.00052 0.00061 247 8PY -0.00002 -0.00023 0.00025 0.00013 0.00022 248 8PZ -0.00025 -0.00010 -0.00005 -0.00036 -0.00039 249 9PX -0.00064 -0.00002 -0.00039 -0.00099 -0.00120 250 9PY 0.00006 0.00015 -0.00010 -0.00033 -0.00053 251 9PZ 0.00045 0.00006 0.00026 0.00064 0.00065 252 10PX -0.00049 0.00002 -0.00032 -0.00075 -0.00100 253 10PY 0.00009 0.00006 0.00005 -0.00011 -0.00017 254 10PZ 0.00045 0.00011 0.00027 0.00064 0.00076 255 11XX 0.00022 -0.00032 0.00020 0.00015 -0.00002 256 11YY 0.00025 -0.00033 0.00022 0.00025 0.00009 257 11ZZ 0.00028 -0.00038 0.00029 0.00021 0.00007 258 11XY -0.00014 0.00011 -0.00016 -0.00004 -0.00006 259 11XZ 0.00003 0.00000 -0.00003 0.00004 0.00004 260 11YZ -0.00000 0.00003 -0.00004 0.00007 0.00008 261 12XX 0.00006 -0.00010 0.00008 -0.00002 -0.00004 262 12YY 0.00000 -0.00015 0.00001 -0.00020 -0.00030 263 12ZZ -0.00004 -0.00018 0.00005 -0.00022 -0.00034 264 12XY 0.00010 0.00001 0.00006 0.00017 0.00023 265 12XZ -0.00005 -0.00001 -0.00001 -0.00004 -0.00006 266 12YZ -0.00001 -0.00001 -0.00004 -0.00007 -0.00011 267 29 C 1S -0.00004 -0.00003 0.00028 0.00013 0.00005 268 2S 0.00016 -0.00016 -0.00055 -0.00007 -0.00008 269 2PX -0.00004 -0.00021 -0.00110 -0.00118 -0.00070 270 2PY -0.00048 -0.00070 -0.00041 -0.00119 -0.00118 271 2PZ -0.00048 0.00002 0.00075 -0.00021 -0.00077 272 3S 0.00038 -0.00066 -0.00053 0.00023 0.00101 273 3PX -0.00016 -0.00010 -0.00051 -0.00080 -0.00042 274 3PY -0.00052 -0.00096 -0.00097 -0.00116 -0.00189 275 3PZ -0.00046 -0.00013 0.00031 -0.00056 -0.00102 276 4XX 0.00000 0.00000 0.00005 -0.00001 -0.00003 277 4YY -0.00001 -0.00003 -0.00003 -0.00003 -0.00005 278 4ZZ -0.00002 0.00002 -0.00002 0.00000 0.00002 279 4XY 0.00010 -0.00004 -0.00001 0.00003 -0.00001 280 4XZ 0.00012 -0.00001 0.00000 0.00010 -0.00001 281 4YZ -0.00005 0.00000 -0.00000 -0.00004 0.00005 282 30 H 1S -0.00049 -0.00004 0.00034 -0.00006 -0.00005 283 2S -0.00090 0.00032 0.00044 -0.00046 0.00027 284 31 H 1S 0.00010 0.00016 0.00005 0.00021 -0.00015 285 2S 0.00023 0.00012 -0.00003 0.00039 -0.00028 286 32 H 1S 0.00020 -0.00017 -0.00058 -0.00061 -0.00024 287 2S 0.00066 0.00059 0.00035 0.00032 0.00069 288 33 H 1S 0.00014 0.00043 -0.00001 0.00017 0.00019 289 2S 0.00032 0.00033 0.00010 0.00045 0.00029 290 34 H 1S -0.00002 -0.00067 -0.00009 -0.00027 0.00084 291 2S 0.00029 -0.00022 -0.00016 0.00051 0.00001 292 35 H 1S -0.00008 0.00013 -0.00015 0.00001 -0.00004 293 2S -0.00009 0.00014 -0.00025 -0.00002 -0.00010 294 36 H 1S 0.00027 0.00004 -0.00005 0.00020 -0.00009 295 2S 0.00047 0.00006 -0.00006 0.00031 -0.00023 296 37 H 1S -0.00003 0.00002 -0.00009 -0.00002 -0.00001 297 2S 0.00001 0.00007 -0.00009 0.00001 -0.00006 298 38 H 1S -0.00010 0.00007 0.00009 -0.00006 -0.00014 299 2S -0.00016 0.00011 0.00002 -0.00008 -0.00028 300 39 H 1S -0.00008 -0.00003 -0.00020 -0.00022 -0.00015 301 2S -0.00006 0.00001 -0.00013 -0.00017 -0.00019 302 40 H 1S 0.00022 -0.00009 0.00027 0.00024 -0.00008 303 2S 0.00042 -0.00017 0.00060 0.00037 0.00002 166 167 168 169 170 166 12 H 1S 0.21587 167 2S 0.16249 0.14060 168 13 H 1S -0.02437 -0.04569 0.21560 169 2S -0.04896 -0.04955 0.16772 0.15314 170 14 C 1S 0.00788 0.00872 0.00752 0.00986 2.05120 171 2S -0.01796 -0.01790 -0.01987 -0.02221 -0.05308 172 2PX 0.02418 0.04878 0.01038 0.01655 -0.00345 173 2PY -0.02012 -0.03785 -0.02090 -0.04293 -0.00003 174 2PZ 0.00828 0.01559 -0.02355 -0.05814 0.00360 175 3S -0.02948 -0.02190 -0.02916 -0.02563 -0.18650 176 3PX 0.01023 0.01823 0.00987 0.00783 0.00198 177 3PY -0.00956 -0.01600 -0.01510 -0.02244 0.00206 178 3PZ 0.00301 0.00691 -0.01233 -0.02474 -0.00127 179 4XX 0.00282 0.00055 -0.00379 -0.00543 -0.01583 180 4YY 0.00223 0.00205 0.00213 0.00161 -0.01674 181 4ZZ -0.00231 -0.00124 0.00429 0.00589 -0.01693 182 4XY -0.00549 -0.00350 -0.00211 0.00009 -0.00217 183 4XZ 0.00410 0.00492 -0.00248 -0.00009 0.00024 184 4YZ -0.00298 -0.00393 0.00611 0.00658 -0.00053 185 15 H 1S -0.01326 -0.01131 -0.01514 -0.01757 -0.05395 186 2S -0.01152 -0.00955 -0.01399 -0.01559 -0.00863 187 16 H 1S -0.01518 -0.01512 0.02779 0.05237 -0.05261 188 2S -0.01587 -0.01550 0.04841 0.07045 -0.00540 189 17 C 1S -0.00799 -0.00878 0.00397 0.00274 0.01050 190 2S 0.01696 0.02129 -0.00838 -0.00737 -0.01934 191 2PX -0.01695 -0.03264 0.00605 0.01105 0.02950 192 2PY 0.02624 0.04347 -0.01629 -0.00458 -0.03886 193 2PZ -0.01879 -0.02214 0.00295 0.02244 0.04262 194 3S 0.03805 0.03812 -0.01838 -0.01912 0.00619 195 3PX -0.00904 -0.01611 -0.00283 -0.00007 0.00718 196 3PY 0.02153 0.02908 -0.01420 -0.00836 -0.00783 197 3PZ -0.01823 -0.01791 -0.00072 0.00875 0.00987 198 4XX -0.00169 -0.00249 0.00000 -0.00084 0.00071 199 4YY -0.00069 -0.00064 -0.00043 -0.00095 -0.00131 200 4ZZ 0.00078 0.00110 0.00094 0.00254 -0.00183 201 4XY 0.00139 0.00159 0.00010 0.00123 0.00259 202 4XZ 0.00057 0.00122 -0.00074 0.00040 -0.00278 203 4YZ -0.00070 -0.00135 0.00086 0.00193 0.00446 204 18 C 1S -0.00102 -0.00040 0.00071 0.00131 -0.00259 205 2S 0.00133 -0.00130 0.00120 -0.00142 0.00487 206 2PX -0.00138 0.00342 -0.00050 -0.00130 0.00097 207 2PY 0.00214 0.00266 0.00223 -0.00329 0.00812 208 2PZ 0.00043 0.00285 0.00173 -0.00105 -0.00836 209 3S 0.00761 0.00493 -0.01351 -0.01623 0.00591 210 3PX -0.00117 0.00086 0.00145 0.00003 0.00086 211 3PY 0.00318 0.00277 0.00097 0.00134 0.00486 212 3PZ 0.00364 0.00428 0.00402 0.00318 -0.00662 213 4XX -0.00052 -0.00111 0.00059 0.00018 0.00082 214 4YY 0.00086 0.00170 -0.00055 -0.00024 -0.00089 215 4ZZ -0.00017 -0.00034 0.00046 0.00071 -0.00090 216 4XY -0.00054 -0.00106 0.00032 0.00062 0.00035 217 4XZ 0.00036 0.00095 -0.00009 0.00041 0.00003 218 4YZ -0.00068 -0.00128 0.00027 0.00121 0.00144 219 19 H 1S -0.00156 -0.00437 -0.00053 0.00548 0.00365 220 2S -0.00229 -0.00420 0.00485 0.01583 0.00258 221 20 H 1S 0.00391 0.00804 -0.00139 -0.00263 -0.00800 222 2S 0.00905 0.01633 -0.00375 -0.00440 -0.00938 223 21 H 1S 0.00256 0.00468 -0.00178 0.01642 0.00796 224 2S -0.00394 -0.00316 0.01236 0.03055 0.01005 225 22 H 1S -0.00999 -0.02113 0.00350 -0.00414 0.00863 226 2S -0.01897 -0.02849 0.00515 -0.00352 0.00970 227 23 H 1S -0.01380 -0.01392 0.02645 0.05044 0.00418 228 2S -0.01809 -0.01693 0.05142 0.07378 0.00247 229 24 H 1S 0.00375 0.00609 -0.00187 0.01144 0.00068 230 2S -0.00288 -0.00228 0.01432 0.03014 0.00125 231 25 H 1S 0.00311 0.00724 -0.00232 0.00009 0.00008 232 2S 0.00663 0.01140 -0.00397 0.00055 -0.00019 233 26 H 1S 0.00353 0.00743 0.00055 -0.00258 0.00104 234 2S 0.00853 0.01298 0.00098 -0.00168 0.00101 235 27 H 1S -0.00040 -0.00115 -0.00013 -0.00149 -0.00042 236 2S 0.00090 0.00063 -0.00102 -0.00328 -0.00077 237 28 Br 1S 0.00011 0.00077 0.00018 0.00034 0.00006 238 2S -0.00041 -0.00359 -0.00125 -0.00242 -0.00033 239 3S 0.00010 0.00230 0.00163 0.00313 0.00027 240 4S -0.00003 0.00324 0.00249 0.00505 0.00036 241 5S 0.00165 0.00093 -0.00680 -0.01077 -0.00073 242 6S -0.00149 0.00010 0.00899 0.01086 0.00171 243 7PX 0.00052 0.00117 -0.00112 -0.00265 -0.00007 244 7PY 0.00079 0.00098 -0.00014 -0.00147 0.00005 245 7PZ 0.00030 0.00068 0.00080 0.00065 0.00014 246 8PX -0.00092 -0.00155 0.00367 0.00879 0.00036 247 8PY -0.00114 -0.00145 0.00119 0.00470 -0.00012 248 8PZ -0.00007 -0.00036 -0.00277 -0.00419 -0.00048 249 9PX 0.00148 0.00209 -0.00737 -0.01727 -0.00079 250 9PY 0.00180 0.00214 -0.00284 -0.00925 0.00020 251 9PZ -0.00019 0.00008 0.00523 0.00851 0.00093 252 10PX 0.00167 0.00234 -0.00570 -0.01373 -0.00025 253 10PY 0.00023 0.00069 -0.00088 -0.00552 0.00047 254 10PZ -0.00071 -0.00017 0.00616 0.00921 0.00103 255 11XX -0.00001 -0.00136 -0.00130 -0.00223 -0.00019 256 11YY -0.00020 -0.00170 -0.00058 -0.00098 -0.00015 257 11ZZ -0.00019 -0.00135 -0.00039 -0.00104 -0.00015 258 11XY 0.00029 0.00027 -0.00062 -0.00073 -0.00002 259 11XZ 0.00005 -0.00005 0.00021 0.00027 -0.00001 260 11YZ -0.00007 -0.00018 0.00041 0.00082 0.00001 261 12XX 0.00010 -0.00063 -0.00058 -0.00096 -0.00026 262 12YY 0.00021 -0.00028 -0.00268 -0.00389 -0.00037 263 12ZZ 0.00019 -0.00054 -0.00305 -0.00425 -0.00029 264 12XY -0.00039 -0.00028 0.00176 0.00216 0.00016 265 12XZ -0.00002 -0.00002 -0.00049 -0.00068 0.00006 266 12YZ 0.00001 0.00012 -0.00083 -0.00129 0.00007 267 29 C 1S 0.00002 -0.00029 0.00305 -0.00052 0.00029 268 2S 0.00160 0.00189 -0.00704 -0.00122 -0.00065 269 2PX 0.00085 0.00322 -0.01417 0.00053 -0.00169 270 2PY -0.00060 -0.00081 -0.01148 -0.00768 -0.00166 271 2PZ 0.00008 -0.00085 0.00283 -0.00769 0.00068 272 3S -0.00655 -0.00434 -0.00802 0.00187 -0.00158 273 3PX -0.00175 -0.00031 -0.00798 -0.00041 -0.00092 274 3PY 0.00390 0.00420 -0.02311 -0.01927 -0.00257 275 3PZ 0.00159 0.00050 -0.00365 -0.01018 0.00024 276 4XX 0.00001 -0.00012 0.00034 0.00008 0.00007 277 4YY 0.00021 0.00027 -0.00086 -0.00045 -0.00011 278 4ZZ 0.00007 -0.00001 0.00025 -0.00002 -0.00009 279 4XY 0.00007 0.00026 -0.00057 0.00057 0.00011 280 4XZ 0.00025 0.00046 -0.00012 0.00015 0.00018 281 4YZ -0.00038 -0.00044 0.00011 -0.00004 -0.00007 282 30 H 1S -0.00119 -0.00284 0.00280 -0.00443 -0.00016 283 2S -0.00441 -0.00611 0.00779 -0.00042 -0.00025 284 31 H 1S 0.00154 0.00197 0.00009 -0.00091 0.00042 285 2S 0.00285 0.00344 -0.00007 -0.00127 0.00028 286 32 H 1S 0.00028 0.00122 -0.00558 0.00526 -0.00065 287 2S 0.00087 0.00080 0.01363 0.01825 0.00173 288 33 H 1S -0.00195 0.00553 0.00229 0.00325 0.00027 289 2S 0.00020 0.00474 0.00253 0.00453 0.00047 290 34 H 1S -0.00750 0.00344 0.00057 0.00140 -0.00103 291 2S 0.00579 0.01190 0.00245 0.00188 0.00068 292 35 H 1S 0.00034 0.00158 0.00002 -0.00009 -0.00004 293 2S 0.00055 0.00253 -0.00075 -0.00077 -0.00023 294 36 H 1S 0.00075 0.00114 0.00068 0.00066 0.00019 295 2S 0.00140 0.00257 0.00054 0.00044 0.00043 296 37 H 1S 0.00001 -0.00025 -0.00017 0.00021 0.00008 297 2S 0.00056 0.00049 -0.00011 0.00044 0.00014 298 38 H 1S 0.00091 -0.00200 -0.00036 -0.00109 -0.00001 299 2S 0.00228 -0.00189 -0.00129 -0.00206 -0.00004 300 39 H 1S 0.00019 0.00053 -0.00149 -0.00130 -0.00029 301 2S 0.00049 0.00073 -0.00108 -0.00163 -0.00011 302 40 H 1S 0.00015 0.00067 0.00048 -0.00018 0.00069 303 2S -0.00090 0.00003 0.00168 0.00147 0.00107 171 172 173 174 175 171 2S 0.30440 172 2PX 0.00581 0.38685 173 2PY 0.00025 0.01656 0.40036 174 2PZ -0.00053 0.00370 0.00044 0.39447 175 3S 0.28020 0.00618 -0.01200 -0.00663 0.27924 176 3PX 0.00198 0.17033 0.01353 0.00954 0.00142 177 3PY -0.00061 0.01230 0.18116 0.00196 -0.00664 178 3PZ -0.00159 0.00125 -0.00501 0.17424 -0.00136 179 4XX -0.00437 -0.00391 0.01063 0.00471 -0.00392 180 4YY -0.00233 0.00806 0.00364 -0.00201 -0.00128 181 4ZZ -0.00255 -0.00204 -0.01279 -0.00871 -0.00081 182 4XY 0.00463 0.01231 0.00908 -0.01275 0.00518 183 4XZ -0.00030 0.00280 -0.01304 -0.00254 -0.00023 184 4YZ 0.00109 -0.01300 -0.00513 -0.01464 0.00148 185 15 H 1S 0.10456 0.17177 0.19619 -0.06363 0.09518 186 2S 0.02510 0.14327 0.16362 -0.05277 0.02044 187 16 H 1S 0.09972 -0.06058 -0.13893 -0.21956 0.10095 188 2S 0.01896 -0.05466 -0.12333 -0.19181 0.02135 189 17 C 1S -0.01935 -0.02505 0.03938 -0.04442 0.00622 190 2S 0.03096 0.05379 -0.07966 0.09018 0.00374 191 2PX -0.05797 -0.04886 0.08533 -0.09443 -0.07714 192 2PY 0.07946 0.08301 -0.11312 0.13501 0.07524 193 2PZ -0.08881 -0.09301 0.13400 -0.14001 -0.08885 194 3S 0.00402 0.04072 -0.07940 0.10276 -0.02120 195 3PX -0.01914 -0.02318 0.03929 -0.04445 -0.02791 196 3PY 0.02395 0.04474 -0.04500 0.06127 0.02107 197 3PZ -0.02768 -0.04833 0.05891 -0.06440 -0.02743 198 4XX -0.00207 -0.00748 0.00248 -0.00049 -0.00281 199 4YY 0.00174 0.00323 0.00806 0.00287 0.00214 200 4ZZ 0.00237 0.00234 -0.00540 -0.00821 0.00258 201 4XY -0.00516 0.00314 0.00305 -0.00796 -0.00440 202 4XZ 0.00527 -0.00188 -0.00765 0.00202 0.00537 203 4YZ -0.00831 -0.00760 0.00166 -0.00477 -0.00980 204 18 C 1S 0.00479 -0.00275 -0.01038 0.00536 0.00657 205 2S -0.01282 0.00347 0.02597 -0.01446 -0.00866 206 2PX -0.00535 0.00679 0.01591 -0.00909 0.01238 207 2PY -0.02019 -0.00097 0.02600 -0.03135 -0.03184 208 2PZ 0.01997 0.00363 -0.03119 0.00822 0.03972 209 3S -0.00626 0.03223 0.04353 -0.01501 0.00155 210 3PX -0.00498 0.01156 0.02933 -0.01399 0.00206 211 3PY -0.00902 0.00445 0.01315 -0.03193 -0.01336 212 3PZ 0.01161 0.00061 -0.02507 0.00079 0.02093 213 4XX -0.00202 -0.00173 0.00361 -0.00420 -0.00270 214 4YY 0.00154 0.00136 -0.00317 0.00392 0.00133 215 4ZZ 0.00151 0.00046 -0.00301 0.00193 0.00190 216 4XY -0.00109 -0.00008 0.00121 -0.00067 -0.00179 217 4XZ 0.00007 -0.00045 0.00005 -0.00089 0.00104 218 4YZ -0.00303 -0.00194 0.00641 -0.00512 -0.00481 219 19 H 1S -0.00782 -0.00381 0.01611 -0.00317 -0.01596 220 2S -0.00691 -0.01088 0.00557 -0.01921 -0.01709 221 20 H 1S 0.01721 0.01123 -0.02743 0.02134 0.03777 222 2S 0.02220 0.01137 -0.05024 0.03466 0.03933 223 21 H 1S -0.02050 -0.01705 0.00231 -0.03074 -0.03587 224 2S -0.02246 -0.03051 -0.00258 -0.06808 -0.03045 225 22 H 1S -0.01878 -0.02373 0.02132 -0.00643 -0.03832 226 2S -0.01871 -0.04657 0.04164 -0.00962 -0.03064 227 23 H 1S -0.00937 0.01890 0.00022 0.00144 -0.01635 228 2S -0.00749 0.00943 -0.01369 -0.02125 -0.01496 229 24 H 1S 0.00102 -0.00073 0.00119 0.00243 -0.01252 230 2S -0.00212 -0.00241 0.00054 -0.00625 -0.01542 231 25 H 1S -0.00007 0.00049 0.00054 -0.00013 -0.00261 232 2S 0.00050 0.00200 -0.00116 0.00514 -0.00288 233 26 H 1S -0.00186 0.00076 0.00088 -0.00306 -0.00487 234 2S -0.00157 0.00059 -0.00237 -0.00229 -0.00399 235 27 H 1S 0.00070 -0.00100 -0.00007 0.00056 0.00207 236 2S 0.00135 -0.00149 -0.00141 0.00097 0.00405 237 28 Br 1S 0.00020 0.00002 0.00003 0.00006 -0.00120 238 2S -0.00095 -0.00002 -0.00017 -0.00039 0.00579 239 3S 0.00059 -0.00010 0.00024 0.00055 -0.00398 240 4S 0.00083 -0.00030 -0.00005 0.00043 -0.00604 241 5S 0.00093 -0.00123 -0.00274 -0.00341 0.00274 242 6S -0.00157 0.00494 0.00714 0.00710 -0.00534 243 7PX 0.00043 -0.00028 0.00023 -0.00000 -0.00050 244 7PY -0.00020 0.00074 0.00003 -0.00017 -0.00017 245 7PZ -0.00042 0.00083 -0.00005 -0.00023 -0.00124 246 8PX -0.00087 0.00098 -0.00024 0.00008 -0.00238 247 8PY 0.00052 -0.00227 0.00029 0.00074 0.00079 248 8PZ 0.00114 -0.00250 0.00074 0.00077 0.00210 249 9PX 0.00154 -0.00207 -0.00004 -0.00052 0.00601 250 9PY -0.00097 0.00408 -0.00109 -0.00193 -0.00129 251 9PZ -0.00214 0.00475 -0.00178 -0.00158 -0.00333 252 10PX 0.00072 -0.00117 0.00230 0.00098 0.00403 253 10PY -0.00092 0.00502 0.00124 0.00095 -0.00173 254 10PZ -0.00205 0.00450 -0.00044 -0.00108 -0.00385 255 11XX -0.00031 -0.00009 -0.00002 -0.00028 0.00236 256 11YY -0.00046 0.00017 -0.00015 -0.00031 0.00280 257 11ZZ -0.00038 -0.00005 -0.00025 -0.00026 0.00209 258 11XY 0.00018 -0.00019 0.00010 -0.00007 -0.00011 259 11XZ -0.00003 -0.00001 0.00003 -0.00004 -0.00024 260 11YZ -0.00003 0.00019 -0.00006 0.00001 0.00000 261 12XX -0.00007 -0.00050 -0.00178 -0.00177 0.00138 262 12YY 0.00028 -0.00117 -0.00161 -0.00146 0.00156 263 12ZZ -0.00001 -0.00033 -0.00126 -0.00200 0.00153 264 12XY -0.00023 0.00048 -0.00000 0.00057 -0.00060 265 12XZ -0.00013 0.00007 0.00038 -0.00010 -0.00048 266 12YZ -0.00011 -0.00017 0.00038 0.00004 -0.00008 267 29 C 1S -0.00063 0.00210 -0.00179 -0.00224 -0.00194 268 2S 0.00115 -0.00393 0.00347 0.00448 0.00406 269 2PX 0.00338 -0.00694 0.00580 0.00599 0.01210 270 2PY 0.00323 -0.00407 0.00334 0.00258 0.00949 271 2PZ -0.00055 0.00461 -0.00333 -0.00581 -0.00705 272 3S 0.00297 -0.01381 0.01304 0.01269 0.00353 273 3PX 0.00163 -0.00428 0.00559 0.00390 0.00551 274 3PY 0.00508 -0.01112 0.00766 0.00885 0.00944 275 3PZ -0.00005 0.00319 -0.00179 -0.00482 -0.00168 276 4XX -0.00013 0.00055 -0.00036 -0.00046 -0.00020 277 4YY 0.00022 -0.00026 0.00032 0.00037 0.00015 278 4ZZ 0.00007 -0.00035 0.00006 0.00002 0.00024 279 4XY -0.00024 0.00060 0.00023 0.00016 0.00014 280 4XZ -0.00026 0.00052 -0.00002 0.00009 -0.00060 281 4YZ 0.00019 -0.00054 0.00019 0.00012 0.00014 282 30 H 1S 0.00051 -0.00071 -0.00157 -0.00201 -0.00223 283 2S 0.00082 -0.00154 -0.00333 -0.00489 -0.00181 284 31 H 1S -0.00050 0.00149 -0.00063 -0.00059 -0.00297 285 2S -0.00042 0.00198 -0.00151 0.00115 -0.00250 286 32 H 1S 0.00091 -0.00091 0.00211 0.00220 0.00839 287 2S -0.00362 0.01293 -0.00932 -0.00945 0.00034 288 33 H 1S -0.00019 0.00064 0.00008 -0.00061 -0.00389 289 2S -0.00058 0.00200 -0.00105 0.00006 -0.00458 290 34 H 1S 0.00146 -0.00407 0.00255 0.00048 0.01043 291 2S -0.00109 0.00957 -0.00636 0.00056 0.00510 292 35 H 1S 0.00007 -0.00016 0.00013 0.00001 -0.00120 293 2S 0.00050 -0.00126 0.00052 0.00030 -0.00096 294 36 H 1S -0.00049 0.00123 -0.00086 -0.00039 -0.00041 295 2S -0.00091 0.00278 -0.00186 -0.00077 -0.00065 296 37 H 1S 0.00032 -0.00014 0.00013 0.00010 -0.00151 297 2S 0.00002 0.00081 -0.00029 -0.00055 -0.00208 298 38 H 1S -0.00001 0.00005 -0.00051 0.00008 -0.00007 299 2S 0.00010 -0.00003 -0.00071 0.00028 -0.00058 300 39 H 1S 0.00090 -0.00225 0.00043 0.00053 -0.00112 301 2S 0.00045 -0.00146 -0.00019 -0.00065 -0.00202 302 40 H 1S -0.00159 0.00368 -0.00088 -0.00145 -0.00193 303 2S -0.00264 0.00751 -0.00136 -0.00281 -0.00380 176 177 178 179 180 176 3PX 0.07729 177 3PY 0.00687 0.08378 178 3PZ 0.00419 -0.00185 0.07910 179 4XX -0.00107 0.00456 0.00200 0.00096 180 4YY 0.00335 0.00176 -0.00099 0.00005 0.00065 181 4ZZ -0.00146 -0.00559 -0.00383 -0.00044 -0.00007 182 4XY 0.00523 0.00433 -0.00567 -0.00023 0.00023 183 4XZ 0.00060 -0.00558 -0.00091 -0.00036 -0.00010 184 4YZ -0.00578 -0.00288 -0.00615 -0.00022 -0.00032 185 15 H 1S 0.07713 0.09052 -0.03142 0.00137 0.00504 186 2S 0.06459 0.07586 -0.02628 0.00183 0.00464 187 16 H 1S -0.03359 -0.06460 -0.09545 -0.00738 -0.00213 188 2S -0.03023 -0.05665 -0.08252 -0.00626 -0.00203 189 17 C 1S -0.00515 0.00818 -0.01054 0.00039 -0.00122 190 2S 0.01597 -0.02454 0.02882 -0.00180 0.00171 191 2PX -0.01692 0.03370 -0.04205 0.00896 -0.00234 192 2PY 0.03664 -0.04852 0.06436 -0.00252 -0.00744 193 2PZ -0.04800 0.06851 -0.06830 0.00057 -0.00360 194 3S 0.00979 -0.02387 0.03450 -0.00105 0.00122 195 3PX -0.00816 0.01533 -0.01973 0.00415 -0.00094 196 3PY 0.01933 -0.01887 0.02858 -0.00086 -0.00298 197 3PZ -0.02436 0.02994 -0.03134 0.00020 -0.00204 198 4XX -0.00321 0.00091 -0.00052 0.00030 0.00008 199 4YY 0.00174 0.00362 0.00161 0.00015 0.00010 200 4ZZ 0.00085 -0.00244 -0.00351 -0.00028 -0.00025 201 4XY 0.00082 0.00194 -0.00357 -0.00030 0.00014 202 4XZ -0.00115 -0.00321 0.00128 -0.00031 -0.00043 203 4YZ -0.00380 0.00120 -0.00238 0.00029 -0.00030 204 18 C 1S -0.00166 -0.00747 0.00302 0.00041 -0.00132 205 2S 0.00046 0.01459 -0.00657 -0.00108 0.00244 206 2PX 0.00510 0.00708 -0.00354 -0.00238 0.00306 207 2PY -0.00953 0.01867 -0.03188 -0.00324 0.00480 208 2PZ 0.01366 -0.02572 0.00255 0.00085 -0.00338 209 3S 0.01315 0.02274 -0.00576 -0.00100 0.00289 210 3PX 0.00675 0.01227 -0.00671 -0.00063 0.00210 211 3PY -0.00254 0.00872 -0.02132 -0.00179 0.00247 212 3PZ 0.00504 -0.01604 -0.00004 -0.00011 -0.00173 213 4XX -0.00082 0.00157 -0.00243 0.00020 0.00007 214 4YY 0.00048 -0.00121 0.00169 -0.00016 -0.00010 215 4ZZ 0.00055 -0.00155 0.00163 0.00003 -0.00008 216 4XY -0.00071 0.00140 -0.00045 -0.00012 0.00014 217 4XZ -0.00003 -0.00028 0.00019 -0.00002 -0.00022 218 4YZ -0.00143 0.00353 -0.00216 0.00019 -0.00003 219 19 H 1S -0.00524 0.01227 0.00604 0.00075 -0.00021 220 2S -0.00862 0.00732 -0.00204 0.00037 -0.00115 221 20 H 1S 0.01414 -0.02003 0.01573 0.00006 -0.00168 222 2S 0.01286 -0.03058 0.02072 -0.00031 -0.00197 223 21 H 1S -0.01394 0.00943 -0.01834 0.00002 -0.00451 224 2S -0.01841 0.00397 -0.03067 -0.00070 -0.00434 225 22 H 1S -0.00867 0.00812 -0.00746 0.00511 0.00212 226 2S -0.01714 0.01498 -0.00684 0.00499 0.00106 227 23 H 1S 0.01021 -0.00273 0.00980 -0.00062 0.00109 228 2S 0.00452 -0.00801 -0.00114 -0.00199 0.00110 229 24 H 1S 0.00162 0.00351 0.00163 0.00028 0.00038 230 2S -0.00057 0.00311 0.00014 -0.00020 0.00009 231 25 H 1S 0.00059 0.00194 -0.00206 -0.00022 0.00030 232 2S 0.00146 0.00110 0.00185 -0.00014 0.00013 233 26 H 1S -0.00115 -0.00119 -0.00336 -0.00006 0.00011 234 2S -0.00104 -0.00290 -0.00259 -0.00011 0.00003 235 27 H 1S 0.00016 0.00043 0.00027 -0.00009 0.00001 236 2S 0.00038 -0.00041 0.00069 -0.00023 0.00005 237 28 Br 1S -0.00061 0.00022 -0.00016 0.00011 0.00008 238 2S 0.00295 -0.00110 0.00062 -0.00049 -0.00038 239 3S -0.00205 0.00086 -0.00012 0.00026 0.00026 240 4S -0.00310 0.00113 -0.00031 0.00038 0.00038 241 5S -0.00075 -0.00157 -0.00259 0.00031 -0.00028 242 6S 0.00201 0.00336 0.00396 -0.00009 0.00049 243 7PX -0.00046 -0.00006 -0.00088 0.00015 0.00003 244 7PY -0.00115 -0.00152 -0.00072 0.00015 -0.00011 245 7PZ -0.00080 -0.00148 -0.00129 0.00004 -0.00006 246 8PX -0.00089 -0.00067 0.00132 -0.00013 0.00004 247 8PY -0.00024 0.00210 0.00140 -0.00012 0.00014 248 8PZ 0.00000 0.00214 0.00011 0.00001 0.00001 249 9PX 0.00230 0.00137 -0.00228 0.00015 -0.00013 250 9PY 0.00163 -0.00311 -0.00259 0.00012 -0.00022 251 9PZ 0.00089 -0.00318 0.00107 -0.00006 0.00004 252 10PX 0.00175 0.00241 -0.00119 0.00014 -0.00004 253 10PY 0.00229 -0.00152 -0.00064 0.00012 -0.00007 254 10PZ 0.00099 -0.00205 0.00103 -0.00007 0.00009 255 11XX 0.00100 -0.00055 0.00009 -0.00015 -0.00018 256 11YY 0.00131 -0.00045 0.00040 -0.00019 -0.00017 257 11ZZ 0.00139 -0.00050 -0.00001 -0.00022 -0.00014 258 11XY -0.00057 0.00031 -0.00025 0.00009 -0.00001 259 11XZ -0.00034 -0.00026 -0.00018 -0.00002 -0.00002 260 11YZ -0.00002 -0.00016 0.00011 -0.00001 -0.00000 261 12XX 0.00015 -0.00089 -0.00066 -0.00007 -0.00011 262 12YY -0.00010 -0.00106 -0.00104 0.00002 -0.00018 263 12ZZ 0.00016 -0.00086 -0.00112 0.00007 -0.00019 264 12XY 0.00034 -0.00015 0.00043 -0.00006 0.00006 265 12XZ 0.00020 0.00007 -0.00027 0.00006 -0.00002 266 12YZ -0.00025 -0.00001 -0.00019 0.00005 -0.00004 267 29 C 1S 0.00189 -0.00160 -0.00115 -0.00014 -0.00000 268 2S -0.00376 0.00252 0.00238 0.00034 -0.00006 269 2PX -0.00739 0.00673 0.00196 0.00073 -0.00021 270 2PY -0.00454 0.00203 -0.00026 0.00021 -0.00031 271 2PZ 0.00656 -0.00244 -0.00628 -0.00024 -0.00001 272 3S -0.00753 0.00620 0.00673 0.00066 -0.00012 273 3PX -0.00389 0.00459 0.00112 0.00047 -0.00013 274 3PY -0.00685 0.00439 0.00319 0.00063 -0.00048 275 3PZ 0.00318 -0.00103 -0.00447 -0.00000 -0.00018 276 4XX 0.00030 -0.00026 -0.00029 -0.00002 -0.00000 277 4YY -0.00012 0.00023 0.00015 0.00003 -0.00001 278 4ZZ -0.00021 0.00009 0.00004 -0.00002 0.00001 279 4XY 0.00012 0.00011 0.00015 0.00007 -0.00001 280 4XZ 0.00045 -0.00021 0.00010 0.00004 -0.00000 281 4YZ -0.00031 0.00008 0.00014 -0.00002 -0.00000 282 30 H 1S 0.00083 -0.00204 -0.00160 -0.00038 -0.00001 283 2S 0.00015 -0.00196 -0.00331 -0.00064 0.00005 284 31 H 1S 0.00226 0.00011 -0.00139 0.00007 0.00005 285 2S 0.00245 -0.00060 0.00008 0.00001 0.00011 286 32 H 1S -0.00419 0.00291 0.00073 0.00036 -0.00012 287 2S 0.00412 -0.00387 -0.00440 -0.00036 0.00028 288 33 H 1S 0.00139 0.00017 -0.00117 0.00001 0.00002 289 2S 0.00191 -0.00064 -0.00035 0.00002 0.00009 290 34 H 1S -0.00252 0.00269 0.00375 -0.00012 -0.00018 291 2S 0.00388 -0.00198 0.00282 -0.00023 0.00008 292 35 H 1S -0.00002 -0.00027 -0.00053 0.00004 -0.00002 293 2S -0.00042 0.00002 -0.00045 0.00005 -0.00004 294 36 H 1S 0.00082 -0.00052 0.00007 -0.00005 0.00003 295 2S 0.00162 -0.00142 -0.00007 -0.00006 0.00002 296 37 H 1S 0.00074 0.00028 -0.00038 0.00002 0.00004 297 2S 0.00107 -0.00020 -0.00076 0.00002 0.00002 298 38 H 1S -0.00032 -0.00011 -0.00041 -0.00001 0.00001 299 2S -0.00033 -0.00043 -0.00060 0.00002 0.00001 300 39 H 1S -0.00041 -0.00028 -0.00042 -0.00001 -0.00002 301 2S -0.00007 -0.00071 -0.00102 -0.00004 -0.00004 302 40 H 1S 0.00268 -0.00006 -0.00064 0.00022 -0.00007 303 2S 0.00482 -0.00096 -0.00102 0.00022 -0.00006 181 182 183 184 185 181 4ZZ 0.00111 182 4XY 0.00005 0.00145 183 4XZ 0.00050 -0.00024 0.00077 184 4YZ 0.00061 -0.00008 0.00011 0.00133 185 15 H 1S -0.00614 0.01385 -0.00524 -0.00565 0.21380 186 2S -0.00498 0.01123 -0.00484 -0.00558 0.15980 187 16 H 1S 0.00983 0.00392 0.00549 0.01273 -0.02223 188 2S 0.01005 0.00236 0.00521 0.01172 -0.04621 189 17 C 1S -0.00162 0.00286 -0.00293 0.00426 0.00846 190 2S 0.00215 -0.00523 0.00539 -0.00817 -0.01850 191 2PX -0.00194 -0.00394 0.00171 0.00763 -0.00389 192 2PY 0.00520 -0.00153 0.00803 -0.00224 -0.02711 193 2PZ 0.00767 0.00743 -0.00148 0.00524 0.01870 194 3S 0.00180 -0.00673 0.00577 -0.00834 -0.03660 195 3PX -0.00119 -0.00148 0.00054 0.00328 0.00192 196 3PY 0.00198 -0.00057 0.00368 -0.00175 -0.01023 197 3PZ 0.00363 0.00361 -0.00079 0.00272 0.00994 198 4XX -0.00030 -0.00036 -0.00026 0.00018 -0.00250 199 4YY -0.00032 0.00031 -0.00031 -0.00025 0.00544 200 4ZZ 0.00060 0.00031 0.00044 0.00045 0.00004 201 4XY 0.00039 0.00069 -0.00004 -0.00004 0.00301 202 4XZ 0.00049 -0.00001 0.00039 0.00020 -0.00320 203 4YZ 0.00038 -0.00029 0.00025 0.00045 -0.00520 204 18 C 1S -0.00005 -0.00087 0.00074 0.00100 -0.00828 205 2S -0.00032 0.00200 -0.00184 -0.00202 0.01791 206 2PX 0.00016 0.00199 -0.00216 -0.00327 0.02111 207 2PY 0.00067 0.00296 -0.00316 -0.00473 0.02469 208 2PZ 0.00067 -0.00243 0.00164 0.00274 -0.01756 209 3S -0.00146 0.00393 -0.00237 -0.00316 0.04143 210 3PX -0.00078 0.00191 -0.00194 -0.00172 0.02498 211 3PY 0.00044 0.00218 -0.00135 -0.00161 0.01691 212 3PZ 0.00105 -0.00132 0.00136 0.00161 -0.01285 213 4XX -0.00007 -0.00005 -0.00007 0.00013 0.00075 214 4YY 0.00017 -0.00003 0.00016 -0.00017 -0.00100 215 4ZZ -0.00005 -0.00015 0.00010 0.00013 -0.00135 216 4XY 0.00015 0.00013 -0.00000 -0.00021 0.00086 217 4XZ 0.00017 0.00011 0.00010 0.00020 -0.00034 218 4YZ 0.00004 0.00026 -0.00005 0.00025 0.00177 219 19 H 1S -0.00003 0.00094 0.00038 0.00075 0.00296 220 2S 0.00149 0.00090 0.00140 0.00225 -0.00411 221 20 H 1S 0.00001 -0.00142 0.00107 0.00090 -0.01040 222 2S 0.00019 -0.00237 0.00185 0.00072 -0.02200 223 21 H 1S 0.00717 0.00068 0.00498 0.00183 -0.01571 224 2S 0.00716 0.00190 0.00392 0.00488 -0.01768 225 22 H 1S -0.00423 -0.00617 0.00026 0.00041 -0.01163 226 2S -0.00439 -0.00473 -0.00151 0.00200 -0.01020 227 23 H 1S -0.00013 0.00084 0.00029 0.00023 0.00444 228 2S 0.00154 0.00063 0.00087 0.00228 -0.00369 229 24 H 1S -0.00023 -0.00039 0.00056 0.00039 -0.00150 230 2S 0.00075 0.00004 0.00087 0.00133 -0.00279 231 25 H 1S -0.00004 0.00006 0.00001 -0.00024 0.00089 232 2S -0.00003 -0.00012 0.00036 -0.00024 -0.00080 233 26 H 1S 0.00001 0.00000 0.00011 0.00008 -0.00002 234 2S 0.00005 -0.00042 0.00049 0.00031 -0.00306 235 27 H 1S 0.00004 0.00008 -0.00008 -0.00012 0.00033 236 2S 0.00011 0.00016 -0.00016 -0.00030 0.00034 237 28 Br 1S 0.00010 -0.00008 0.00005 0.00006 0.00009 238 2S -0.00047 0.00039 -0.00022 -0.00028 -0.00032 239 3S 0.00027 -0.00027 0.00014 0.00019 0.00006 240 4S 0.00041 -0.00039 0.00022 0.00031 -0.00013 241 5S 0.00017 0.00006 0.00003 -0.00002 -0.00025 242 6S -0.00020 -0.00011 -0.00005 -0.00013 0.00284 243 7PX 0.00009 -0.00008 0.00003 0.00002 0.00029 244 7PY 0.00008 -0.00000 0.00001 0.00000 0.00061 245 7PZ -0.00009 0.00005 0.00008 0.00003 0.00026 246 8PX -0.00002 0.00002 0.00006 0.00013 -0.00032 247 8PY -0.00001 -0.00014 0.00002 0.00011 -0.00122 248 8PZ -0.00003 -0.00009 -0.00008 -0.00007 -0.00043 249 9PX -0.00002 0.00003 -0.00015 -0.00029 0.00031 250 9PY -0.00003 0.00031 -0.00002 -0.00021 0.00192 251 9PZ 0.00015 0.00016 0.00011 0.00012 0.00061 252 10PX -0.00010 0.00002 -0.00015 -0.00031 0.00101 253 10PY -0.00015 0.00027 -0.00010 -0.00029 0.00277 254 10PZ 0.00011 0.00012 0.00011 0.00016 0.00077 255 11XX -0.00018 0.00017 -0.00010 -0.00013 0.00000 256 11YY -0.00017 0.00018 -0.00010 -0.00012 -0.00004 257 11ZZ -0.00019 0.00015 -0.00007 -0.00010 -0.00028 258 11XY 0.00004 -0.00002 -0.00001 0.00001 0.00011 259 11XZ -0.00001 0.00001 0.00000 0.00001 0.00001 260 11YZ 0.00002 -0.00000 -0.00000 0.00001 0.00006 261 12XX 0.00005 0.00006 0.00003 0.00005 -0.00073 262 12YY -0.00001 0.00006 -0.00002 -0.00001 -0.00068 263 12ZZ -0.00001 0.00013 -0.00003 -0.00003 -0.00010 264 12XY -0.00000 -0.00002 0.00000 0.00002 -0.00008 265 12XZ -0.00003 0.00001 -0.00001 -0.00001 0.00017 266 12YZ -0.00003 0.00000 -0.00002 -0.00001 0.00007 267 29 C 1S 0.00020 0.00006 0.00001 0.00010 0.00011 268 2S -0.00045 -0.00013 0.00001 -0.00025 -0.00009 269 2PX -0.00072 0.00004 0.00001 -0.00056 0.00119 270 2PY -0.00029 0.00001 -0.00004 -0.00031 0.00094 271 2PZ 0.00053 0.00024 -0.00008 0.00010 0.00096 272 3S -0.00102 -0.00038 -0.00038 -0.00021 -0.00066 273 3PX -0.00045 0.00003 -0.00009 -0.00029 0.00132 274 3PY -0.00068 -0.00025 -0.00002 -0.00063 -0.00028 275 3PZ 0.00031 0.00025 0.00001 -0.00007 0.00141 276 4XX 0.00003 0.00003 0.00000 0.00001 0.00011 277 4YY -0.00003 0.00000 0.00000 -0.00004 0.00010 278 4ZZ -0.00000 -0.00003 -0.00000 0.00002 -0.00016 279 4XY -0.00005 0.00006 -0.00002 -0.00007 0.00047 280 4XZ -0.00002 0.00004 -0.00001 -0.00003 0.00021 281 4YZ -0.00000 -0.00003 -0.00000 0.00003 -0.00016 282 30 H 1S 0.00032 -0.00017 0.00002 0.00030 -0.00139 283 2S 0.00058 -0.00021 0.00005 0.00061 -0.00237 284 31 H 1S 0.00005 0.00008 0.00000 -0.00006 0.00034 285 2S -0.00001 0.00000 0.00003 -0.00013 -0.00011 286 32 H 1S -0.00036 0.00016 0.00001 -0.00034 0.00150 287 2S 0.00048 0.00054 0.00015 0.00014 0.00214 288 33 H 1S 0.00009 0.00012 -0.00008 0.00005 0.00050 289 2S 0.00002 0.00011 -0.00001 -0.00004 0.00042 290 34 H 1S 0.00008 0.00027 -0.00035 0.00018 0.00065 291 2S 0.00020 0.00019 0.00018 -0.00025 0.00100 292 35 H 1S 0.00002 0.00001 -0.00001 -0.00002 0.00009 293 2S 0.00001 -0.00002 -0.00002 -0.00001 -0.00013 294 36 H 1S 0.00004 0.00003 0.00001 0.00001 0.00001 295 2S 0.00007 0.00011 0.00002 -0.00004 0.00026 296 37 H 1S 0.00004 0.00004 -0.00001 -0.00002 0.00014 297 2S 0.00005 0.00008 0.00002 -0.00003 0.00038 298 38 H 1S -0.00002 -0.00012 0.00009 -0.00000 -0.00053 299 2S -0.00004 -0.00016 0.00014 -0.00004 -0.00072 300 39 H 1S -0.00001 -0.00007 0.00004 -0.00000 -0.00064 301 2S 0.00007 -0.00001 0.00005 0.00003 -0.00054 302 40 H 1S 0.00000 0.00025 -0.00012 -0.00008 0.00150 303 2S 0.00008 0.00055 -0.00018 -0.00018 0.00328 186 187 188 189 190 186 2S 0.13375 187 16 H 1S -0.04102 0.21434 188 2S -0.04565 0.16928 0.15359 189 17 C 1S 0.00953 0.00797 0.01017 2.05113 190 2S -0.01835 -0.02049 -0.02257 -0.05293 0.30412 191 2PX -0.00931 0.01306 0.03104 -0.00468 0.00362 192 2PY -0.05304 -0.00277 0.00366 -0.00107 0.00045 193 2PZ 0.03446 0.03271 0.06865 -0.00027 -0.00320 194 3S -0.02917 -0.03543 -0.03041 -0.18586 0.27884 195 3PX -0.00147 0.00801 0.01286 0.00267 0.00227 196 3PY -0.01934 -0.00945 -0.00378 -0.00140 0.00146 197 3PZ 0.01462 0.02129 0.03392 -0.00092 -0.00006 198 4XX -0.00151 -0.00092 -0.00119 -0.01724 -0.00182 199 4YY 0.00425 -0.00410 -0.00386 -0.01572 -0.00456 200 4ZZ -0.00109 0.00771 0.00719 -0.01662 -0.00278 201 4XY 0.00422 0.00165 0.00316 0.00078 -0.00184 202 4XZ -0.00406 0.00447 0.00402 0.00019 -0.00068 203 4YZ -0.00322 0.00120 0.00434 -0.00205 0.00426 204 18 C 1S -0.00967 0.00377 0.00272 0.01052 -0.01926 205 2S 0.02275 -0.00798 -0.00692 -0.01962 0.03128 206 2PX 0.02824 -0.00761 -0.01399 -0.03950 0.08150 207 2PY 0.04089 -0.00587 -0.01497 -0.04557 0.09248 208 2PZ -0.03206 0.01351 -0.00010 0.01943 -0.03841 209 3S 0.04157 -0.01703 -0.01844 0.00823 0.00132 210 3PX 0.02699 -0.00854 -0.01178 -0.00838 0.02571 211 3PY 0.02340 0.00582 0.00060 -0.00997 0.02924 212 3PZ -0.01993 0.01348 0.00708 0.00398 -0.01228 213 4XX 0.00091 0.00043 0.00042 -0.00173 0.00223 214 4YY -0.00113 -0.00038 -0.00017 -0.00201 0.00292 215 4ZZ -0.00184 0.00048 0.00045 0.00131 -0.00311 216 4XY 0.00164 -0.00024 0.00054 -0.00449 0.00846 217 4XZ -0.00072 0.00119 0.00180 0.00212 -0.00411 218 4YZ 0.00198 0.00047 0.00239 0.00223 -0.00445 219 19 H 1S 0.00403 -0.00168 0.01270 0.00767 -0.02011 220 2S -0.00416 0.01470 0.02966 0.00982 -0.02205 221 20 H 1S -0.01962 0.00266 -0.00389 0.00789 -0.01801 222 2S -0.02981 0.00439 -0.00364 0.00869 -0.01746 223 21 H 1S -0.01608 0.02819 0.05167 -0.05261 0.09958 224 2S -0.01735 0.05103 0.07127 -0.00548 0.01904 225 22 H 1S -0.01011 -0.01556 -0.01777 -0.05397 0.10452 226 2S -0.00902 -0.01570 -0.01719 -0.00876 0.02530 227 23 H 1S 0.00727 -0.00287 0.01007 0.00058 0.00110 228 2S -0.00218 0.01923 0.03211 0.00119 -0.00212 229 24 H 1S -0.00429 -0.00054 0.00400 0.00376 -0.00810 230 2S -0.00460 0.00709 0.01676 0.00228 -0.00645 231 25 H 1S 0.00091 -0.00048 -0.00115 -0.00226 0.00332 232 2S -0.00154 -0.00204 -0.00069 -0.00050 0.00092 233 26 H 1S 0.00054 0.00083 0.00061 0.00048 -0.00187 234 2S -0.00363 0.00203 0.00200 0.00207 -0.00482 235 27 H 1S 0.00078 -0.00009 -0.00104 -0.00164 0.00288 236 2S 0.00144 0.00005 -0.00165 -0.00290 0.00564 237 28 Br 1S 0.00003 -0.00026 0.00112 -0.00002 -0.00008 238 2S -0.00005 0.00124 -0.00545 0.00009 0.00033 239 3S -0.00011 -0.00088 0.00382 -0.00011 -0.00016 240 4S -0.00030 -0.00092 0.00612 -0.00011 -0.00030 241 5S -0.00006 0.00220 -0.00021 0.00014 0.00005 242 6S 0.00190 -0.00649 -0.00204 0.00007 -0.00103 243 7PX 0.00009 -0.00039 0.00001 -0.00013 -0.00024 244 7PY 0.00089 -0.00046 -0.00006 -0.00002 -0.00003 245 7PZ 0.00076 -0.00002 -0.00045 -0.00002 -0.00076 246 8PX 0.00044 0.00025 0.00194 0.00021 -0.00034 247 8PY -0.00219 0.00036 0.00094 0.00004 -0.00001 248 8PZ -0.00120 -0.00027 -0.00136 -0.00025 0.00076 249 9PX -0.00112 0.00014 -0.00433 -0.00032 0.00101 250 9PY 0.00377 0.00007 -0.00177 -0.00005 0.00002 251 9PZ 0.00178 0.00070 0.00363 0.00066 -0.00091 252 10PX -0.00027 -0.00155 -0.00447 -0.00034 0.00075 253 10PY 0.00400 -0.00223 -0.00285 -0.00005 -0.00001 254 10PZ 0.00143 0.00022 0.00329 0.00076 -0.00157 255 11XX 0.00020 0.00042 -0.00235 0.00005 0.00011 256 11YY 0.00001 0.00057 -0.00216 0.00005 0.00017 257 11ZZ -0.00018 0.00069 -0.00227 0.00007 0.00006 258 11XY -0.00008 -0.00009 0.00024 -0.00001 -0.00008 259 11XZ 0.00016 0.00005 -0.00012 -0.00010 -0.00001 260 11YZ 0.00002 0.00000 0.00012 -0.00003 0.00007 261 12XX -0.00061 0.00175 0.00054 0.00013 0.00011 262 12YY -0.00039 0.00140 -0.00056 0.00009 0.00000 263 12ZZ 0.00018 0.00135 -0.00041 0.00026 -0.00023 264 12XY -0.00004 -0.00029 0.00014 0.00004 0.00002 265 12XZ 0.00015 -0.00019 -0.00029 0.00024 -0.00049 266 12YZ 0.00016 -0.00023 -0.00039 0.00016 -0.00040 267 29 C 1S 0.00018 0.00157 0.00183 0.00015 -0.00008 268 2S -0.00010 -0.00334 -0.00405 -0.00035 0.00060 269 2PX 0.00079 -0.00505 -0.00937 -0.00047 0.00041 270 2PY 0.00073 -0.00214 -0.00667 0.00012 -0.00018 271 2PZ 0.00037 0.00340 0.00161 0.00010 -0.00008 272 3S -0.00099 -0.00882 -0.00832 -0.00035 -0.00141 273 3PX 0.00089 -0.00386 -0.00592 0.00013 -0.00047 274 3PY -0.00084 -0.00603 -0.01011 -0.00059 0.00089 275 3PZ 0.00110 0.00230 0.00023 -0.00016 0.00054 276 4XX 0.00017 0.00027 0.00022 0.00004 -0.00003 277 4YY 0.00009 -0.00030 -0.00042 -0.00002 0.00006 278 4ZZ -0.00026 0.00008 0.00009 -0.00002 0.00001 279 4XY 0.00073 -0.00047 -0.00056 -0.00003 0.00007 280 4XZ 0.00042 -0.00025 -0.00013 0.00000 0.00002 281 4YZ -0.00023 0.00006 0.00015 0.00002 -0.00007 282 30 H 1S -0.00201 0.00253 0.00279 0.00024 -0.00033 283 2S -0.00366 0.00536 0.00557 0.00067 -0.00117 284 31 H 1S 0.00009 0.00005 -0.00013 -0.00018 0.00024 285 2S -0.00017 -0.00063 -0.00046 0.00002 0.00027 286 32 H 1S 0.00208 -0.00255 -0.00535 -0.00030 0.00040 287 2S 0.00377 0.00546 0.00473 0.00023 0.00038 288 33 H 1S 0.00035 0.00028 0.00091 0.00030 -0.00048 289 2S 0.00072 -0.00012 0.00084 -0.00002 0.00006 290 34 H 1S 0.00048 0.00069 0.00153 0.00086 -0.00128 291 2S 0.00149 0.00043 0.00129 -0.00073 0.00165 292 35 H 1S 0.00008 -0.00012 -0.00023 0.00002 0.00005 293 2S -0.00026 -0.00013 -0.00029 -0.00001 -0.00000 294 36 H 1S 0.00021 0.00031 0.00057 0.00010 -0.00014 295 2S 0.00078 0.00048 0.00074 0.00013 -0.00012 296 37 H 1S -0.00010 -0.00010 0.00003 -0.00002 0.00005 297 2S 0.00036 0.00015 0.00021 -0.00006 0.00013 298 38 H 1S -0.00078 0.00004 -0.00040 -0.00015 0.00024 299 2S -0.00101 -0.00009 -0.00079 -0.00023 0.00029 300 39 H 1S -0.00057 -0.00006 -0.00062 -0.00001 -0.00002 301 2S -0.00029 0.00063 0.00032 -0.00011 0.00009 302 40 H 1S 0.00240 -0.00016 0.00021 0.00029 -0.00063 303 2S 0.00495 -0.00011 0.00073 0.00033 -0.00030 191 192 193 194 195 191 2PX 0.39613 192 2PY -0.00962 0.38997 193 2PZ -0.00271 0.01312 0.39702 194 3S 0.00690 0.01298 0.00444 0.27691 195 3PX 0.17420 -0.01233 -0.00817 0.00088 0.07830 196 3PY -0.00767 0.17082 0.01048 0.00696 -0.00653 197 3PZ 0.00100 0.00936 0.17878 0.00242 -0.00239 198 4XX 0.00653 -0.01021 -0.00580 -0.00074 0.00341 199 4YY -0.00312 -0.00020 0.00094 -0.00364 -0.00144 200 4ZZ 0.00269 0.01058 0.00704 -0.00146 0.00078 201 4XY -0.01130 -0.00193 0.01561 -0.00190 -0.00507 202 4XZ -0.00479 0.01554 0.00488 -0.00013 -0.00252 203 4YZ 0.01533 0.00288 0.01245 0.00518 0.00637 204 18 C 1S 0.04480 0.04371 -0.01954 0.00503 0.01076 205 2S -0.09059 -0.09307 0.04047 0.00582 -0.02939 206 2PX -0.12993 -0.14904 0.06408 0.07164 -0.06370 207 2PY -0.15149 -0.14914 0.07076 0.09187 -0.06345 208 2PZ 0.06572 0.06933 -0.02139 -0.03650 0.02667 209 3S -0.10870 -0.08152 0.03018 -0.02253 -0.03686 210 3PX -0.05639 -0.08544 0.02809 0.01951 -0.02705 211 3PY -0.07014 -0.07226 0.03346 0.02804 -0.02897 212 3PZ 0.02728 0.04125 -0.00373 -0.01069 0.01038 213 4XX 0.00916 -0.00486 0.00100 0.00286 0.00423 214 4YY -0.00510 0.00626 0.00249 0.00278 -0.00258 215 4ZZ 0.00237 0.00322 -0.00601 -0.00354 0.00095 216 4XY -0.00439 -0.00421 0.00699 0.00849 -0.00215 217 4XZ 0.00025 0.00645 0.00516 -0.00433 -0.00003 218 4YZ 0.00684 0.00256 0.00623 -0.00425 0.00305 219 19 H 1S 0.01769 0.02743 0.01057 -0.02861 0.01116 220 2S 0.03933 0.05616 0.03291 -0.02485 0.01643 221 20 H 1S 0.00383 0.02534 -0.02119 -0.02858 0.00168 222 2S 0.00675 0.04988 -0.04406 -0.02092 0.00109 223 21 H 1S 0.08089 0.14305 0.21013 0.10210 0.02921 224 2S 0.06878 0.12550 0.18457 0.02267 0.02435 225 22 H 1S 0.21175 -0.12196 -0.11060 0.09515 0.09782 226 2S 0.17563 -0.10182 -0.09207 0.02056 0.08148 227 23 H 1S -0.00199 -0.00159 -0.00163 -0.01301 0.00139 228 2S 0.00364 -0.00001 0.00756 -0.01569 0.00135 229 24 H 1S 0.00980 0.00496 -0.01352 -0.01650 -0.00106 230 2S 0.01469 0.01755 0.00863 -0.01508 0.00088 231 25 H 1S -0.00958 -0.00781 0.00253 0.01684 -0.01092 232 2S -0.00659 0.00445 0.00171 0.00872 -0.00855 233 26 H 1S 0.00385 0.00315 0.00118 -0.00272 0.00315 234 2S 0.01143 0.01184 -0.00281 -0.00643 0.00717 235 27 H 1S -0.00557 -0.00407 0.00350 0.01034 -0.00471 236 2S -0.01351 -0.00842 0.00627 0.01234 -0.00758 237 28 Br 1S -0.00008 -0.00003 -0.00007 0.00087 0.00000 238 2S 0.00048 0.00025 0.00035 -0.00419 0.00015 239 3S -0.00058 -0.00038 -0.00027 0.00296 -0.00045 240 4S -0.00058 -0.00053 -0.00037 0.00427 -0.00057 241 5S 0.00120 0.00022 0.00081 0.00077 0.00132 242 6S -0.00038 0.00258 -0.00198 -0.00194 -0.00010 243 7PX -0.00022 -0.00033 0.00005 0.00305 -0.00072 244 7PY -0.00018 -0.00004 0.00008 0.00001 0.00022 245 7PZ 0.00024 0.00053 0.00006 0.00287 -0.00140 246 8PX 0.00049 0.00073 -0.00031 -0.00190 -0.00046 247 8PY 0.00054 -0.00023 -0.00037 -0.00055 0.00004 248 8PZ -0.00079 -0.00210 -0.00025 0.00146 -0.00057 249 9PX -0.00082 -0.00138 0.00071 0.00122 0.00178 250 9PY -0.00087 0.00070 0.00099 0.00139 -0.00034 251 9PZ 0.00171 0.00440 0.00051 -0.00632 0.00295 252 10PX -0.00064 -0.00046 0.00118 0.00182 0.00125 253 10PY -0.00143 0.00020 -0.00052 0.00044 -0.00043 254 10PZ 0.00333 0.00508 -0.00001 -0.00642 0.00340 255 11XX 0.00030 0.00001 0.00013 -0.00145 0.00023 256 11YY 0.00015 0.00011 0.00023 -0.00187 0.00019 257 11ZZ 0.00044 0.00038 0.00012 -0.00203 0.00011 258 11XY 0.00007 -0.00003 0.00010 0.00050 -0.00012 259 11XZ -0.00028 -0.00015 0.00028 0.00130 -0.00074 260 11YZ -0.00019 -0.00006 0.00003 -0.00023 -0.00025 261 12XX 0.00059 0.00047 0.00067 -0.00076 0.00041 262 12YY 0.00076 -0.00012 0.00011 -0.00033 0.00052 263 12ZZ 0.00138 0.00033 0.00034 -0.00062 0.00087 264 12XY -0.00019 0.00004 -0.00048 -0.00052 0.00003 265 12XZ 0.00117 0.00048 -0.00047 -0.00113 0.00071 266 12YZ 0.00099 0.00043 -0.00024 -0.00038 0.00058 267 29 C 1S -0.00026 0.00021 0.00033 -0.00159 -0.00046 268 2S 0.00028 -0.00020 -0.00058 0.00255 0.00139 269 2PX 0.00028 0.00014 0.00026 0.00599 0.00197 270 2PY -0.00005 0.00055 0.00017 0.00059 -0.00080 271 2PZ -0.00040 -0.00055 0.00131 0.00193 -0.00083 272 3S 0.00473 -0.00377 -0.00202 -0.00102 0.00403 273 3PX 0.00215 -0.00094 0.00001 0.00225 0.00140 274 3PY -0.00062 0.00197 0.00244 0.00339 -0.00040 275 3PZ 0.00066 0.00240 0.00336 0.00286 0.00031 276 4XX -0.00013 0.00014 0.00013 -0.00015 -0.00015 277 4YY -0.00005 0.00004 -0.00006 0.00017 0.00001 278 4ZZ 0.00003 -0.00021 -0.00006 0.00013 0.00005 279 4XY -0.00006 -0.00009 -0.00002 0.00002 0.00016 280 4XZ -0.00001 -0.00003 -0.00003 -0.00016 0.00011 281 4YZ 0.00013 -0.00011 -0.00008 -0.00018 -0.00001 282 30 H 1S 0.00015 0.00010 0.00011 -0.00157 -0.00118 283 2S 0.00109 -0.00078 -0.00038 -0.00206 -0.00149 284 31 H 1S -0.00028 0.00012 0.00045 0.00234 0.00056 285 2S -0.00226 -0.00057 -0.00165 0.00099 -0.00081 286 32 H 1S -0.00076 0.00043 0.00038 0.00262 0.00057 287 2S -0.00347 -0.00095 -0.00174 -0.00012 -0.00118 288 33 H 1S 0.00073 -0.00038 0.00039 -0.00099 0.00071 289 2S -0.00189 -0.00089 -0.00046 -0.00059 -0.00056 290 34 H 1S 0.00170 -0.00226 0.00194 -0.00601 0.00161 291 2S -0.00358 0.00476 -0.00292 -0.00118 -0.00116 292 35 H 1S 0.00016 -0.00008 0.00003 -0.00014 0.00033 293 2S 0.00037 0.00004 0.00048 -0.00007 0.00042 294 36 H 1S -0.00020 0.00031 0.00013 -0.00025 -0.00031 295 2S -0.00080 0.00079 0.00030 -0.00067 -0.00045 296 37 H 1S -0.00006 -0.00019 0.00007 0.00016 -0.00011 297 2S 0.00004 0.00013 0.00028 0.00035 -0.00016 298 38 H 1S -0.00034 0.00070 -0.00041 0.00122 -0.00024 299 2S -0.00055 0.00123 -0.00067 0.00149 -0.00038 300 39 H 1S 0.00056 0.00007 0.00004 0.00025 0.00012 301 2S 0.00048 0.00047 0.00111 0.00053 -0.00001 302 40 H 1S 0.00049 0.00031 -0.00000 -0.00076 0.00029 303 2S -0.00138 -0.00004 0.00126 -0.00146 -0.00049 196 197 198 199 200 196 3PY 0.07758 197 3PZ 0.00484 0.08222 198 4XX -0.00446 -0.00268 0.00092 199 4YY 0.00001 0.00043 -0.00007 0.00066 200 4ZZ 0.00445 0.00334 -0.00030 0.00002 0.00093 201 4XY -0.00009 0.00662 -0.00042 0.00021 0.00020 202 4XZ 0.00652 0.00264 -0.00057 0.00003 0.00053 203 4YZ 0.00135 0.00565 0.00013 -0.00031 0.00026 204 18 C 1S 0.00974 -0.00331 -0.00139 -0.00234 0.00136 205 2S -0.02867 0.01151 0.00201 0.00334 -0.00336 206 2PX -0.06940 0.03093 -0.00659 0.00513 -0.00239 207 2PY -0.06196 0.02791 0.00462 -0.00658 -0.00417 208 2PZ 0.02567 -0.01057 -0.00115 -0.00265 0.00639 209 3S -0.02246 0.00614 0.00117 0.00416 -0.00338 210 3PX -0.03852 0.01301 -0.00240 0.00241 -0.00156 211 3PY -0.02991 0.01294 0.00196 -0.00297 -0.00158 212 3PZ 0.01563 -0.00210 -0.00101 -0.00132 0.00348 213 4XX -0.00251 0.00061 0.00042 -0.00037 -0.00002 214 4YY 0.00295 0.00117 -0.00038 0.00012 0.00014 215 4ZZ 0.00126 -0.00273 -0.00013 0.00026 0.00004 216 4XY -0.00205 0.00333 -0.00018 0.00007 -0.00017 217 4XZ 0.00309 0.00251 -0.00044 0.00037 0.00031 218 4YZ 0.00163 0.00257 0.00020 0.00005 -0.00000 219 19 H 1S 0.01838 0.00368 -0.00023 0.00438 -0.00151 220 2S 0.02766 0.01487 -0.00147 0.00282 0.00074 221 20 H 1S 0.01127 -0.01002 -0.00362 0.00372 0.00262 222 2S 0.01999 -0.01849 -0.00368 0.00221 0.00280 223 21 H 1S 0.06457 0.09698 -0.00562 -0.00175 0.00770 224 2S 0.05577 0.08488 -0.00497 -0.00096 0.00767 225 22 H 1S -0.05604 -0.04914 0.00842 -0.00346 -0.00469 226 2S -0.04696 -0.04112 0.00798 -0.00247 -0.00406 227 23 H 1S -0.00255 -0.00254 -0.00073 0.00060 0.00051 228 2S -0.00260 0.00129 -0.00098 0.00036 0.00122 229 24 H 1S 0.00474 -0.01270 -0.00031 0.00062 0.00007 230 2S 0.00942 -0.00108 -0.00133 0.00120 0.00074 231 25 H 1S -0.00703 0.00250 -0.00061 0.00025 -0.00026 232 2S 0.00040 0.00078 -0.00116 0.00093 -0.00005 233 26 H 1S 0.00614 0.00087 0.00043 -0.00037 -0.00008 234 2S 0.01010 -0.00132 0.00056 -0.00048 0.00022 235 27 H 1S -0.00507 0.00341 -0.00045 0.00027 -0.00014 236 2S -0.00761 0.00519 -0.00083 0.00049 -0.00017 237 28 Br 1S 0.00015 0.00002 -0.00002 0.00003 0.00002 238 2S -0.00062 -0.00002 0.00011 -0.00014 -0.00009 239 3S 0.00019 -0.00010 -0.00010 0.00011 0.00004 240 4S 0.00026 -0.00016 -0.00014 0.00014 0.00008 241 5S 0.00064 0.00113 0.00007 -0.00017 0.00012 242 6S 0.00151 -0.00183 0.00004 0.00029 -0.00022 243 7PX 0.00035 0.00115 -0.00001 -0.00003 -0.00005 244 7PY 0.00130 0.00051 -0.00009 0.00006 -0.00000 245 7PZ 0.00121 0.00035 -0.00004 -0.00009 -0.00015 246 8PX -0.00002 -0.00270 -0.00002 0.00003 0.00001 247 8PY -0.00093 -0.00127 0.00015 -0.00007 -0.00003 248 8PZ -0.00250 -0.00012 0.00006 0.00002 -0.00001 249 9PX -0.00033 0.00473 0.00005 -0.00006 0.00003 250 9PY 0.00073 0.00242 -0.00025 0.00009 0.00008 251 9PZ 0.00439 -0.00010 -0.00009 0.00002 0.00019 252 10PX 0.00001 0.00405 0.00005 0.00003 -0.00006 253 10PY 0.00047 0.00114 -0.00017 0.00012 -0.00002 254 10PZ 0.00444 -0.00062 0.00005 -0.00003 0.00016 255 11XX -0.00031 -0.00009 0.00007 -0.00005 -0.00004 256 11YY -0.00034 0.00008 0.00003 -0.00005 -0.00003 257 11ZZ 0.00007 0.00008 0.00005 -0.00009 -0.00002 258 11XY 0.00050 -0.00020 0.00001 -0.00001 -0.00001 259 11XZ -0.00009 0.00003 -0.00003 0.00000 -0.00005 260 11YZ 0.00019 -0.00005 -0.00002 0.00000 -0.00001 261 12XX 0.00008 0.00039 0.00000 -0.00009 0.00009 262 12YY -0.00002 0.00027 0.00006 -0.00011 0.00004 263 12ZZ 0.00032 0.00045 0.00007 -0.00012 0.00005 264 12XY 0.00001 -0.00027 0.00000 0.00000 0.00000 265 12XZ 0.00062 -0.00020 0.00009 -0.00005 0.00000 266 12YZ 0.00046 -0.00004 0.00007 -0.00003 -0.00001 267 29 C 1S -0.00001 0.00047 -0.00009 0.00007 0.00011 268 2S 0.00019 -0.00062 0.00016 -0.00008 -0.00018 269 2PX 0.00014 -0.00084 0.00026 -0.00006 -0.00032 270 2PY 0.00172 0.00080 -0.00010 0.00025 -0.00013 271 2PZ -0.00135 0.00095 0.00009 -0.00012 0.00013 272 3S -0.00161 -0.00132 0.00072 -0.00007 -0.00053 273 3PX -0.00020 -0.00047 0.00008 0.00014 -0.00025 274 3PY 0.00190 0.00179 0.00001 0.00027 -0.00032 275 3PZ 0.00060 0.00211 0.00013 -0.00029 0.00020 276 4XX 0.00013 0.00010 -0.00004 0.00001 0.00002 277 4YY 0.00002 -0.00007 0.00001 0.00000 -0.00002 278 4ZZ -0.00017 -0.00003 0.00003 -0.00002 -0.00001 279 4XY 0.00003 0.00002 -0.00001 0.00001 -0.00001 280 4XZ -0.00000 0.00006 -0.00002 0.00002 0.00000 281 4YZ -0.00003 -0.00005 0.00002 -0.00001 -0.00001 282 30 H 1S 0.00028 0.00045 -0.00003 0.00002 0.00008 283 2S -0.00032 -0.00020 -0.00000 0.00002 0.00010 284 31 H 1S -0.00080 -0.00016 0.00008 -0.00010 0.00000 285 2S -0.00080 -0.00093 -0.00016 0.00020 -0.00009 286 32 H 1S 0.00093 -0.00015 -0.00006 0.00005 -0.00009 287 2S -0.00025 -0.00113 -0.00033 -0.00013 0.00034 288 33 H 1S -0.00007 -0.00082 0.00004 0.00005 0.00001 289 2S -0.00011 -0.00129 -0.00010 0.00007 0.00004 290 34 H 1S -0.00415 0.00197 0.00020 0.00008 -0.00009 291 2S 0.00031 -0.00099 -0.00029 0.00001 0.00020 292 35 H 1S 0.00053 -0.00028 0.00005 -0.00001 -0.00001 293 2S 0.00056 -0.00008 0.00005 0.00001 -0.00001 294 36 H 1S -0.00012 0.00007 -0.00010 0.00007 0.00003 295 2S 0.00025 0.00045 -0.00023 0.00014 0.00008 296 37 H 1S 0.00026 -0.00001 0.00002 0.00000 -0.00001 297 2S 0.00046 -0.00002 -0.00003 0.00002 0.00002 298 38 H 1S 0.00061 -0.00061 -0.00003 -0.00002 0.00003 299 2S 0.00129 -0.00071 -0.00003 -0.00003 0.00003 300 39 H 1S 0.00039 0.00033 0.00008 -0.00001 -0.00004 301 2S 0.00049 0.00066 0.00003 -0.00002 0.00001 302 40 H 1S -0.00020 -0.00001 -0.00001 -0.00001 0.00007 303 2S -0.00046 0.00076 -0.00021 0.00011 0.00012 201 202 203 204 205 201 4XY 0.00126 202 4XZ 0.00020 0.00098 203 4YZ 0.00004 0.00020 0.00143 204 18 C 1S -0.00476 0.00218 0.00254 2.05166 205 2S 0.00904 -0.00438 -0.00479 -0.05376 0.30558 206 2PX 0.00489 -0.00205 -0.00686 -0.00314 0.00810 207 2PY 0.00526 -0.00705 -0.00251 0.00308 0.00143 208 2PZ -0.00692 -0.00325 -0.00618 0.00118 -0.00170 209 3S 0.00962 -0.00405 -0.00646 -0.18939 0.28555 210 3PX 0.00227 -0.00215 -0.00361 0.00204 0.00163 211 3PY 0.00285 -0.00322 -0.00136 -0.00118 -0.00237 212 3PZ -0.00284 -0.00079 -0.00253 0.00045 0.00037 213 4XX -0.00033 -0.00041 0.00038 -0.01510 -0.00594 214 4YY 0.00017 0.00041 -0.00000 -0.01686 -0.00268 215 4ZZ -0.00022 0.00020 -0.00011 -0.01755 -0.00075 216 4XY 0.00046 0.00016 0.00037 0.00036 -0.00059 217 4XZ 0.00029 0.00045 0.00004 -0.00160 0.00345 218 4YZ 0.00035 0.00027 0.00091 0.00006 -0.00033 219 19 H 1S 0.00461 0.00403 0.00454 -0.05258 0.09948 220 2S 0.00320 0.00549 0.00657 -0.00455 0.01708 221 20 H 1S -0.00102 -0.00052 -0.00653 -0.05350 0.10296 222 2S -0.00320 0.00091 -0.00548 -0.00697 0.02173 223 21 H 1S 0.00486 0.00751 0.01289 0.00805 -0.02091 224 2S 0.00524 0.00756 0.01094 0.01016 -0.02294 225 22 H 1S -0.01063 -0.00883 0.00551 0.00906 -0.01975 226 2S -0.00906 -0.00754 0.00376 0.01032 -0.02031 227 23 H 1S 0.00018 -0.00022 -0.00011 0.00434 -0.00924 228 2S 0.00071 0.00057 0.00105 0.00350 -0.00822 229 24 H 1S -0.00084 0.00006 0.00102 0.00808 -0.02065 230 2S 0.00031 0.00164 0.00257 0.01124 -0.02466 231 25 H 1S 0.00011 0.00006 -0.00015 0.00794 -0.01715 232 2S 0.00024 0.00082 0.00016 0.00628 -0.01397 233 26 H 1S 0.00020 -0.00002 0.00021 -0.00162 0.00508 234 2S -0.00013 0.00008 0.00037 -0.00378 0.00798 235 27 H 1S 0.00026 0.00029 -0.00012 0.00192 -0.00400 236 2S 0.00044 0.00041 -0.00048 0.00297 -0.00623 237 28 Br 1S 0.00001 -0.00005 0.00001 -0.00009 -0.00062 238 2S -0.00005 0.00021 -0.00004 0.00037 0.00319 239 3S 0.00002 -0.00011 0.00002 -0.00012 -0.00260 240 4S 0.00003 -0.00017 0.00004 0.00008 -0.00397 241 5S 0.00001 -0.00006 -0.00006 -0.00062 0.00158 242 6S 0.00008 -0.00006 0.00015 -0.00162 0.00110 243 7PX 0.00011 -0.00007 -0.00001 0.00002 0.00018 244 7PY 0.00001 -0.00002 0.00001 -0.00005 -0.00008 245 7PZ 0.00023 0.00000 -0.00001 -0.00023 0.00093 246 8PX -0.00000 0.00005 0.00004 -0.00035 -0.00048 247 8PY -0.00009 0.00001 0.00004 0.00007 0.00019 248 8PZ -0.00021 -0.00008 -0.00006 0.00069 -0.00160 249 9PX -0.00009 -0.00003 -0.00009 0.00078 0.00112 250 9PY 0.00019 0.00002 -0.00008 -0.00007 -0.00036 251 9PZ 0.00025 0.00018 0.00015 -0.00131 0.00277 252 10PX 0.00000 0.00003 0.00005 0.00036 0.00084 253 10PY 0.00012 -0.00009 -0.00017 -0.00040 0.00037 254 10PZ 0.00018 0.00012 0.00022 -0.00188 0.00368 255 11XX -0.00001 0.00007 -0.00002 0.00016 0.00144 256 11YY -0.00002 0.00008 -0.00002 0.00023 0.00138 257 11ZZ -0.00003 0.00008 -0.00001 0.00013 0.00151 258 11XY -0.00001 0.00002 0.00002 0.00001 0.00013 259 11XZ 0.00005 0.00002 -0.00001 0.00009 -0.00020 260 11YZ 0.00001 0.00001 0.00000 0.00002 -0.00013 261 12XX -0.00000 0.00005 0.00002 0.00026 0.00053 262 12YY -0.00005 0.00000 -0.00004 0.00022 0.00072 263 12ZZ -0.00001 0.00001 0.00001 0.00011 0.00099 264 12XY -0.00002 -0.00003 -0.00002 0.00003 0.00006 265 12XZ -0.00004 -0.00006 0.00004 -0.00031 0.00068 266 12YZ -0.00002 -0.00003 0.00003 -0.00021 0.00042 267 29 C 1S 0.00008 0.00004 0.00004 0.00021 -0.00068 268 2S -0.00016 -0.00011 -0.00009 -0.00066 0.00100 269 2PX -0.00020 -0.00000 -0.00016 -0.00086 0.00148 270 2PY -0.00009 0.00017 0.00001 0.00144 -0.00190 271 2PZ 0.00014 -0.00008 -0.00005 -0.00148 0.00290 272 3S -0.00068 -0.00051 -0.00008 -0.00081 0.00143 273 3PX -0.00019 0.00000 0.00001 0.00059 -0.00146 274 3PY -0.00016 0.00027 0.00003 0.00081 -0.00119 275 3PZ 0.00018 -0.00004 0.00002 -0.00214 0.00390 276 4XX 0.00002 0.00002 0.00001 0.00011 -0.00022 277 4YY -0.00001 0.00000 -0.00000 -0.00012 0.00005 278 4ZZ -0.00001 -0.00002 -0.00001 -0.00016 0.00032 279 4XY 0.00001 -0.00001 -0.00002 0.00009 -0.00016 280 4XZ 0.00000 -0.00000 -0.00002 0.00021 -0.00039 281 4YZ -0.00001 -0.00000 0.00002 -0.00006 0.00013 282 30 H 1S 0.00003 0.00005 0.00013 0.00001 0.00030 283 2S 0.00004 0.00011 0.00028 0.00004 0.00030 284 31 H 1S 0.00002 -0.00006 -0.00008 -0.00100 0.00143 285 2S 0.00004 0.00012 -0.00012 0.00065 -0.00117 286 32 H 1S -0.00002 0.00005 -0.00011 0.00044 -0.00064 287 2S 0.00033 -0.00004 -0.00026 0.00029 -0.00043 288 33 H 1S -0.00003 0.00001 0.00001 0.00015 -0.00069 289 2S 0.00001 -0.00001 -0.00015 0.00079 -0.00135 290 34 H 1S -0.00013 -0.00007 0.00012 0.00037 -0.00081 291 2S 0.00012 0.00012 -0.00019 0.00022 -0.00096 292 35 H 1S -0.00002 -0.00001 -0.00000 -0.00020 0.00047 293 2S -0.00003 0.00003 0.00001 -0.00021 0.00040 294 36 H 1S 0.00001 0.00007 -0.00002 0.00082 -0.00163 295 2S 0.00005 0.00013 -0.00007 0.00141 -0.00276 296 37 H 1S -0.00002 0.00003 0.00000 0.00018 -0.00003 297 2S 0.00001 0.00005 0.00001 0.00014 -0.00027 298 38 H 1S 0.00003 0.00001 -0.00002 -0.00035 0.00071 299 2S 0.00005 0.00003 -0.00002 -0.00056 0.00118 300 39 H 1S -0.00006 0.00004 0.00005 -0.00007 -0.00000 301 2S 0.00002 0.00009 0.00009 -0.00015 -0.00001 302 40 H 1S 0.00009 -0.00007 -0.00003 -0.00006 0.00035 303 2S 0.00026 -0.00001 -0.00007 0.00037 -0.00066 206 207 208 209 210 206 2PX 0.38414 207 2PY 0.00832 0.39430 208 2PZ 0.01134 -0.00706 0.40224 209 3S 0.00054 -0.00217 -0.00843 0.29269 210 3PX 0.17110 0.02165 0.00817 -0.00205 0.08123 211 3PY 0.00244 0.17940 -0.00648 -0.00064 0.01009 212 3PZ 0.00688 -0.00809 0.18284 -0.00236 0.00230 213 4XX -0.00612 0.00905 0.00429 -0.00549 -0.00189 214 4YY 0.00501 -0.00249 -0.00291 -0.00151 0.00173 215 4ZZ 0.00168 -0.01319 -0.00137 0.00072 0.00012 216 4XY 0.00746 0.00424 -0.01440 -0.00072 0.00265 217 4XZ 0.00486 -0.01405 0.00034 0.00375 0.00138 218 4YZ -0.01436 -0.00350 -0.01885 0.00007 -0.00631 219 19 H 1S -0.06459 -0.15622 -0.20503 0.10026 -0.03847 220 2S -0.05600 -0.13584 -0.18235 0.01666 -0.03326 221 20 H 1S 0.11099 -0.14739 0.19345 0.09532 0.04321 222 2S 0.09577 -0.12440 0.16583 0.01639 0.03764 223 21 H 1S -0.02329 -0.02561 -0.00774 -0.03731 -0.02205 224 2S -0.04104 -0.05517 -0.02153 -0.03209 -0.02752 225 22 H 1S -0.02757 -0.00817 0.01343 -0.04141 -0.00910 226 2S -0.05310 -0.01270 0.02687 -0.03316 -0.01826 227 23 H 1S 0.01910 -0.00269 0.00218 -0.02137 0.01417 228 2S 0.01466 -0.01473 -0.01622 -0.02313 0.01000 229 24 H 1S 0.01091 -0.01839 -0.02338 -0.03520 0.01367 230 2S 0.01961 -0.04713 -0.05778 -0.03499 0.01127 231 25 H 1S 0.02770 0.00059 -0.01160 -0.03101 0.00790 232 2S 0.03365 -0.02595 -0.02414 -0.02468 0.01129 233 26 H 1S -0.01012 0.00380 -0.00406 0.00324 -0.00420 234 2S -0.02212 -0.00357 0.00254 0.00680 -0.00958 235 27 H 1S 0.01035 -0.00163 -0.00435 -0.01081 0.00447 236 2S 0.02621 -0.00135 -0.00412 -0.01098 0.01079 237 28 Br 1S 0.00028 0.00013 -0.00005 0.00440 -0.00151 238 2S -0.00173 -0.00049 0.00053 -0.02032 0.00695 239 3S 0.00194 0.00009 -0.00099 0.01220 -0.00409 240 4S 0.00274 0.00013 -0.00114 0.01804 -0.00615 241 5S -0.00167 0.00156 0.00580 0.00468 -0.00160 242 6S -0.00592 -0.00145 -0.00910 0.00415 -0.00334 243 7PX 0.00070 0.00055 0.00039 -0.00306 0.00050 244 7PY 0.00061 -0.00044 -0.00030 0.00033 0.00106 245 7PZ 0.00015 -0.00053 -0.00079 -0.00478 0.00255 246 8PX -0.00072 -0.00123 -0.00157 0.00778 -0.00034 247 8PY -0.00137 0.00109 0.00074 -0.00102 -0.00070 248 8PZ 0.00140 0.00182 0.00163 0.00005 -0.00196 249 9PX 0.00087 0.00235 0.00370 -0.01432 0.00054 250 9PY 0.00233 -0.00219 -0.00156 0.00177 0.00031 251 9PZ -0.00380 -0.00352 -0.00261 0.00491 0.00138 252 10PX -0.00125 0.00130 -0.00198 -0.01185 -0.00068 253 10PY 0.00108 -0.00039 -0.00027 0.00275 0.00019 254 10PZ -0.00840 -0.00271 -0.00246 0.00696 -0.00165 255 11XX -0.00088 0.00001 0.00047 -0.00823 0.00284 256 11YY -0.00068 -0.00021 0.00031 -0.00837 0.00272 257 11ZZ -0.00132 -0.00018 0.00056 -0.00729 0.00249 258 11XY -0.00009 -0.00015 -0.00029 -0.00037 0.00065 259 11XZ 0.00066 -0.00011 -0.00052 -0.00129 0.00060 260 11YZ 0.00034 -0.00008 -0.00004 0.00038 0.00052 261 12XX -0.00061 0.00006 0.00177 -0.00207 0.00055 262 12YY -0.00064 0.00068 0.00303 -0.00174 0.00053 263 12ZZ -0.00194 0.00044 0.00214 -0.00180 0.00019 264 12XY -0.00014 0.00046 0.00067 -0.00048 0.00015 265 12XZ -0.00253 0.00055 0.00033 0.00062 -0.00086 266 12YZ -0.00189 0.00012 -0.00007 0.00034 -0.00081 267 29 C 1S 0.00157 -0.00162 -0.00184 -0.00019 0.00054 268 2S -0.00343 0.00379 0.00388 0.00395 -0.00254 269 2PX -0.00373 0.00296 0.00348 0.00901 -0.00433 270 2PY 0.00623 -0.00643 -0.00548 -0.01310 0.00832 271 2PZ -0.00388 0.00220 0.00184 0.01219 -0.00590 272 3S -0.00824 0.00848 0.01093 0.00149 -0.00339 273 3PX 0.00236 -0.00300 -0.00152 0.00142 0.00013 274 3PY 0.00457 -0.00498 -0.00384 -0.00562 0.00410 275 3PZ -0.00960 0.00580 0.00562 0.01016 -0.00702 276 4XX 0.00062 -0.00052 -0.00054 -0.00075 0.00055 277 4YY -0.00020 0.00007 -0.00001 0.00039 -0.00018 278 4ZZ -0.00060 0.00064 0.00054 0.00052 -0.00045 279 4XY 0.00038 0.00022 0.00026 -0.00049 0.00047 280 4XZ 0.00082 -0.00025 0.00003 -0.00045 0.00046 281 4YZ -0.00043 0.00010 -0.00010 -0.00018 -0.00010 282 30 H 1S -0.00009 -0.00202 -0.00278 -0.00345 0.00127 283 2S -0.00049 -0.00463 -0.00701 -0.00185 0.00002 284 31 H 1S -0.00305 0.00283 0.00305 0.01114 -0.00570 285 2S 0.00624 -0.00456 -0.00479 0.00414 0.00025 286 32 H 1S 0.00205 -0.00031 0.00016 -0.00307 0.00279 287 2S 0.00363 0.00180 0.00061 -0.00316 0.00372 288 33 H 1S 0.00137 -0.00102 -0.00027 0.00015 0.00188 289 2S 0.00481 0.00010 0.00136 -0.00168 0.00369 290 34 H 1S 0.00101 -0.00070 -0.00006 0.00040 -0.00095 291 2S 0.00136 -0.00160 0.00109 0.00106 -0.00069 292 35 H 1S -0.00075 0.00036 0.00025 -0.00028 0.00085 293 2S -0.00036 -0.00019 0.00029 -0.00071 0.00125 294 36 H 1S 0.00360 -0.00182 -0.00098 -0.00466 0.00283 295 2S 0.00694 -0.00372 -0.00158 -0.00688 0.00490 296 37 H 1S 0.00031 -0.00002 -0.00009 -0.00094 0.00104 297 2S 0.00089 -0.00082 -0.00050 -0.00060 0.00137 298 38 H 1S -0.00088 0.00003 0.00023 0.00176 -0.00060 299 2S -0.00171 0.00005 0.00003 0.00306 -0.00108 300 39 H 1S -0.00094 -0.00034 -0.00067 0.00105 -0.00023 301 2S -0.00106 -0.00043 -0.00119 0.00171 -0.00036 302 40 H 1S 0.00022 -0.00014 0.00019 -0.00198 0.00009 303 2S 0.00392 -0.00118 -0.00212 -0.00226 0.00218 211 212 213 214 215 211 3PY 0.08412 212 3PZ -0.00530 0.08487 213 4XX 0.00402 0.00160 0.00112 214 4YY -0.00131 -0.00103 -0.00024 0.00056 215 4ZZ -0.00582 -0.00054 -0.00034 0.00027 0.00076 216 4XY 0.00189 -0.00620 -0.00011 0.00018 -0.00008 217 4XZ -0.00627 0.00062 -0.00058 0.00029 0.00036 218 4YZ -0.00120 -0.00865 -0.00006 -0.00002 0.00012 219 19 H 1S -0.06985 -0.09059 -0.00713 0.00162 0.00588 220 2S -0.05929 -0.07987 -0.00564 0.00240 0.00515 221 20 H 1S -0.07022 0.09076 -0.00520 0.00077 0.00474 222 2S -0.05914 0.07748 -0.00373 0.00151 0.00388 223 21 H 1S -0.01639 0.00511 0.00107 0.00362 -0.00205 224 2S -0.02523 -0.00227 -0.00036 0.00278 -0.00033 225 22 H 1S -0.00881 0.00160 0.00727 -0.00441 0.00024 226 2S -0.00832 0.00680 0.00596 -0.00449 0.00034 227 23 H 1S 0.00772 -0.00115 -0.00085 -0.00002 0.00135 228 2S 0.00184 -0.00842 -0.00178 0.00031 0.00228 229 24 H 1S -0.00923 -0.01531 -0.00352 0.00233 0.00403 230 2S -0.01965 -0.02746 -0.00520 0.00291 0.00467 231 25 H 1S -0.00656 -0.00123 -0.00053 0.00124 -0.00031 232 2S -0.01664 -0.00745 -0.00219 0.00203 0.00105 233 26 H 1S 0.00440 -0.00657 -0.00059 0.00045 -0.00005 234 2S 0.00105 -0.00242 -0.00042 0.00036 -0.00016 235 27 H 1S -0.00439 -0.00237 0.00065 -0.00040 -0.00010 236 2S -0.00340 -0.00237 0.00086 -0.00024 -0.00023 237 28 Br 1S -0.00057 0.00063 -0.00022 -0.00033 -0.00022 238 2S 0.00276 -0.00287 0.00105 0.00150 0.00101 239 3S -0.00197 0.00167 -0.00066 -0.00087 -0.00055 240 4S -0.00296 0.00254 -0.00096 -0.00127 -0.00081 241 5S 0.00029 0.00271 0.00011 -0.00036 -0.00039 242 6S 0.00050 -0.00273 -0.00047 -0.00020 0.00003 243 7PX -0.00059 0.00086 -0.00053 -0.00035 -0.00020 244 7PY 0.00001 -0.00004 -0.00021 -0.00010 -0.00004 245 7PZ -0.00211 0.00132 -0.00078 -0.00019 0.00005 246 8PX -0.00320 0.00196 -0.00004 0.00003 0.00012 247 8PY 0.00165 0.00181 0.00016 0.00008 0.00002 248 8PZ 0.00099 0.00162 0.00054 0.00014 -0.00024 249 9PX 0.00769 -0.00487 0.00058 0.00023 -0.00011 250 9PY -0.00394 -0.00403 -0.00014 -0.00009 -0.00002 251 9PZ 0.00007 -0.00507 -0.00044 -0.00016 0.00044 252 10PX 0.00555 -0.00605 0.00045 0.00020 -0.00012 253 10PY -0.00194 -0.00270 -0.00010 -0.00017 -0.00002 254 10PZ 0.00064 -0.00359 -0.00037 -0.00020 0.00031 255 11XX 0.00080 -0.00064 0.00035 0.00053 0.00038 256 11YY 0.00122 -0.00124 0.00048 0.00060 0.00041 257 11ZZ 0.00151 -0.00140 0.00045 0.00063 0.00036 258 11XY 0.00012 0.00065 -0.00003 0.00003 0.00003 259 11XZ -0.00067 0.00073 -0.00011 -0.00004 0.00001 260 11YZ 0.00030 0.00043 -0.00005 -0.00002 -0.00000 261 12XX 0.00063 0.00052 0.00021 0.00016 0.00007 262 12YY 0.00031 0.00068 0.00022 0.00014 0.00003 263 12ZZ 0.00031 -0.00001 0.00020 0.00011 0.00005 264 12XY 0.00063 0.00010 -0.00002 -0.00002 0.00003 265 12XZ 0.00062 -0.00004 -0.00006 0.00002 -0.00000 266 12YZ -0.00015 -0.00035 -0.00002 0.00000 -0.00003 267 29 C 1S -0.00082 -0.00127 -0.00007 0.00010 0.00004 268 2S 0.00257 0.00239 0.00028 -0.00027 -0.00023 269 2PX 0.00146 0.00381 0.00052 -0.00025 -0.00031 270 2PY -0.00625 -0.00606 -0.00036 0.00049 0.00031 271 2PZ -0.00143 0.00255 0.00031 -0.00011 -0.00041 272 3S 0.00558 0.00449 0.00043 -0.00057 -0.00024 273 3PX -0.00165 0.00011 -0.00001 0.00008 0.00011 274 3PY -0.00459 -0.00329 -0.00013 0.00035 0.00002 275 3PZ 0.00094 0.00381 0.00060 -0.00030 -0.00068 276 4XX -0.00037 -0.00041 -0.00004 0.00004 0.00003 277 4YY 0.00009 0.00007 -0.00000 -0.00001 0.00001 278 4ZZ 0.00028 0.00036 0.00005 -0.00003 -0.00004 279 4XY 0.00019 -0.00003 0.00004 -0.00001 -0.00002 280 4XZ -0.00004 -0.00009 0.00002 0.00001 -0.00001 281 4YZ 0.00012 -0.00009 -0.00003 -0.00001 0.00002 282 30 H 1S -0.00215 -0.00248 -0.00035 0.00016 0.00019 283 2S -0.00343 -0.00354 -0.00062 0.00026 0.00045 284 31 H 1S 0.00145 0.00376 0.00035 -0.00022 -0.00032 285 2S -0.00220 -0.00106 -0.00012 0.00019 0.00013 286 32 H 1S -0.00059 -0.00056 0.00012 0.00003 0.00000 287 2S 0.00101 -0.00020 0.00011 -0.00000 0.00001 288 33 H 1S -0.00043 0.00106 -0.00004 0.00002 -0.00008 289 2S 0.00084 0.00136 -0.00019 0.00005 0.00007 290 34 H 1S -0.00064 0.00089 0.00016 -0.00003 0.00002 291 2S -0.00078 0.00130 -0.00007 0.00012 0.00011 292 35 H 1S 0.00016 0.00016 -0.00002 -0.00001 -0.00004 293 2S -0.00022 0.00017 0.00000 -0.00000 -0.00005 294 36 H 1S -0.00158 -0.00034 0.00006 0.00014 -0.00001 295 2S -0.00251 -0.00107 0.00004 0.00026 -0.00003 296 37 H 1S 0.00027 -0.00009 0.00006 0.00005 0.00002 297 2S -0.00057 -0.00012 0.00003 0.00006 0.00002 298 38 H 1S -0.00028 0.00033 -0.00004 -0.00005 0.00003 299 2S -0.00010 0.00011 -0.00008 -0.00004 0.00004 300 39 H 1S -0.00085 -0.00114 0.00001 0.00002 -0.00003 301 2S -0.00124 -0.00097 0.00004 0.00000 -0.00007 302 40 H 1S -0.00063 -0.00031 -0.00006 0.00003 0.00006 303 2S -0.00099 -0.00164 -0.00015 0.00007 0.00013 216 217 218 219 220 216 4XY 0.00104 217 4XZ -0.00009 0.00095 218 4YZ 0.00039 -0.00004 0.00181 219 19 H 1S 0.00457 0.00617 0.01410 0.21431 220 2S 0.00469 0.00491 0.01376 0.16973 0.15652 221 20 H 1S -0.00698 0.00826 -0.01243 -0.02340 -0.04795 222 2S -0.00636 0.00663 -0.01157 -0.04495 -0.04914 223 21 H 1S 0.00477 0.00391 0.00536 0.02790 0.05335 224 2S 0.00299 0.00471 0.00717 0.04799 0.07058 225 22 H 1S -0.00045 -0.00523 -0.00029 -0.01549 -0.01884 226 2S -0.00267 -0.00414 0.00072 -0.01498 -0.01752 227 23 H 1S 0.00030 0.00043 -0.00017 -0.00196 0.01101 228 2S 0.00113 0.00036 0.00196 0.01636 0.03164 229 24 H 1S -0.00144 -0.00297 0.00622 0.02692 0.05010 230 2S 0.00115 -0.00029 0.00721 0.05336 0.07497 231 25 H 1S 0.00151 -0.00022 -0.00028 -0.00235 0.00687 232 2S 0.00114 0.00111 0.00086 0.01675 0.02482 233 26 H 1S -0.00088 0.00092 -0.00016 0.00214 -0.00261 234 2S -0.00169 0.00143 -0.00002 0.00439 -0.00085 235 27 H 1S 0.00087 -0.00041 -0.00047 -0.00171 -0.00253 236 2S 0.00129 -0.00021 -0.00139 -0.00603 -0.00674 237 28 Br 1S 0.00001 -0.00000 0.00008 -0.00006 -0.00065 238 2S -0.00007 0.00003 -0.00039 0.00013 0.00283 239 3S 0.00008 -0.00004 0.00029 0.00020 -0.00134 240 4S 0.00010 -0.00006 0.00043 0.00018 -0.00217 241 5S -0.00022 -0.00001 -0.00039 -0.00373 -0.00487 242 6S 0.00016 0.00013 0.00078 0.00723 0.00768 243 7PX 0.00002 -0.00003 0.00010 -0.00048 0.00136 244 7PY 0.00004 -0.00006 0.00003 0.00011 0.00038 245 7PZ -0.00007 0.00006 0.00016 0.00065 0.00100 246 8PX -0.00003 0.00000 0.00011 0.00150 -0.00400 247 8PY -0.00008 -0.00002 -0.00004 -0.00045 0.00122 248 8PZ 0.00015 -0.00019 -0.00014 -0.00201 0.00020 249 9PX 0.00003 -0.00000 -0.00038 -0.00332 0.00676 250 9PY 0.00014 0.00010 0.00007 0.00109 -0.00299 251 9PZ -0.00029 0.00036 0.00017 0.00382 -0.00156 252 10PX 0.00015 0.00003 -0.00003 0.00030 0.00788 253 10PY 0.00008 -0.00000 0.00003 0.00018 -0.00295 254 10PZ -0.00035 0.00036 0.00033 0.00456 -0.00013 255 11XX -0.00004 -0.00003 -0.00016 -0.00017 0.00082 256 11YY -0.00002 0.00002 -0.00018 -0.00002 0.00119 257 11ZZ -0.00006 0.00006 -0.00017 0.00004 0.00093 258 11XY 0.00001 -0.00003 0.00002 0.00019 0.00064 259 11XZ 0.00002 -0.00002 -0.00001 0.00009 0.00012 260 11YZ 0.00002 -0.00004 0.00000 0.00004 0.00022 261 12XX -0.00006 0.00002 -0.00012 -0.00084 -0.00024 262 12YY -0.00013 -0.00002 -0.00024 -0.00191 -0.00217 263 12ZZ -0.00014 -0.00002 -0.00014 -0.00109 -0.00157 264 12XY -0.00003 -0.00002 -0.00001 -0.00037 0.00012 265 12XZ -0.00010 -0.00001 0.00015 0.00049 0.00088 266 12YZ -0.00009 0.00003 0.00005 0.00035 -0.00016 267 29 C 1S 0.00001 -0.00001 0.00016 0.00135 0.00165 268 2S -0.00012 -0.00003 -0.00034 -0.00324 -0.00412 269 2PX -0.00012 0.00008 -0.00051 -0.00332 -0.00637 270 2PY 0.00014 0.00008 0.00036 0.00427 0.00453 271 2PZ 0.00006 -0.00012 -0.00016 -0.00143 -0.00613 272 3S -0.00045 -0.00032 -0.00037 -0.00724 -0.00655 273 3PX -0.00000 0.00009 0.00004 0.00106 0.00051 274 3PY 0.00011 0.00020 0.00007 0.00262 0.00172 275 3PZ -0.00003 -0.00013 -0.00031 -0.00387 -0.00788 276 4XX 0.00002 0.00001 0.00003 0.00039 0.00050 277 4YY 0.00002 -0.00003 0.00001 0.00004 0.00001 278 4ZZ -0.00002 -0.00001 -0.00004 -0.00046 -0.00063 279 4XY -0.00001 0.00002 -0.00006 -0.00042 -0.00037 280 4XZ -0.00003 0.00005 -0.00006 -0.00025 -0.00020 281 4YZ 0.00002 -0.00004 0.00005 0.00023 0.00039 282 30 H 1S 0.00017 -0.00016 0.00047 0.00317 0.00366 283 2S 0.00034 -0.00028 0.00095 0.00709 0.00781 284 31 H 1S -0.00010 0.00005 -0.00036 -0.00277 -0.00553 285 2S 0.00001 0.00032 -0.00011 0.00236 0.00075 286 32 H 1S 0.00001 0.00011 -0.00022 -0.00084 -0.00115 287 2S 0.00003 0.00005 -0.00035 -0.00208 -0.00170 288 33 H 1S -0.00011 0.00014 -0.00013 -0.00007 -0.00063 289 2S -0.00003 0.00005 -0.00025 -0.00164 -0.00063 290 34 H 1S -0.00005 0.00003 0.00001 -0.00005 0.00037 291 2S -0.00003 0.00007 -0.00022 -0.00050 -0.00028 292 35 H 1S 0.00002 0.00000 -0.00005 -0.00020 -0.00063 293 2S 0.00000 0.00005 -0.00009 -0.00017 -0.00070 294 36 H 1S -0.00015 0.00021 -0.00014 -0.00017 0.00052 295 2S -0.00021 0.00043 -0.00029 -0.00021 0.00059 296 37 H 1S 0.00002 0.00000 -0.00005 -0.00018 0.00017 297 2S 0.00003 0.00005 -0.00005 0.00017 -0.00016 298 38 H 1S 0.00002 -0.00002 0.00006 0.00034 -0.00026 299 2S 0.00001 -0.00003 0.00013 0.00080 -0.00006 300 39 H 1S -0.00001 -0.00001 0.00003 0.00036 -0.00136 301 2S 0.00003 0.00001 0.00002 0.00057 -0.00172 302 40 H 1S -0.00008 0.00010 0.00004 0.00029 0.00075 303 2S 0.00012 0.00009 0.00004 0.00111 0.00146 221 222 223 224 225 221 20 H 1S 0.21415 222 2S 0.16381 0.14263 223 21 H 1S -0.01560 -0.01651 0.21416 224 2S -0.01621 -0.01687 0.16840 0.15175 225 22 H 1S -0.01194 -0.01054 -0.02203 -0.04570 0.21362 226 2S -0.01028 -0.00919 -0.04079 -0.04519 0.15927 227 23 H 1S 0.00359 0.00679 -0.00082 0.00312 -0.00150 228 2S -0.00392 -0.00229 0.00838 0.01740 -0.00358 229 24 H 1S -0.01506 -0.01420 -0.00215 0.01009 0.00394 230 2S -0.01947 -0.01761 0.01832 0.03072 -0.00468 231 25 H 1S -0.00405 0.00081 -0.00157 -0.00093 -0.00295 232 2S 0.00317 0.00683 0.00343 0.00619 -0.00694 233 26 H 1S -0.00032 0.00633 0.00186 0.00003 0.00090 234 2S 0.00391 0.00949 0.00342 0.00216 0.00259 235 27 H 1S -0.00122 -0.00143 0.00057 -0.00046 -0.00273 236 2S 0.00300 0.00350 -0.00049 -0.00255 -0.00613 237 28 Br 1S -0.00025 -0.00058 -0.00010 -0.00000 -0.00004 238 2S 0.00129 0.00279 0.00049 -0.00006 0.00023 239 3S -0.00106 -0.00191 -0.00039 0.00017 -0.00022 240 4S -0.00152 -0.00274 -0.00047 0.00042 -0.00023 241 5S 0.00248 0.00163 0.00038 -0.00093 0.00042 242 6S -0.00485 -0.00468 -0.00043 0.00075 -0.00049 243 7PX 0.00015 -0.00055 -0.00036 -0.00099 0.00003 244 7PY 0.00006 -0.00021 -0.00004 -0.00047 -0.00018 245 7PZ 0.00022 -0.00120 0.00006 0.00028 -0.00022 246 8PX -0.00076 -0.00190 0.00039 0.00268 -0.00011 247 8PY -0.00016 0.00014 -0.00017 0.00049 0.00070 248 8PZ -0.00054 -0.00031 -0.00103 -0.00128 0.00073 249 9PX 0.00182 0.00496 -0.00052 -0.00495 0.00027 250 9PY 0.00024 -0.00012 0.00067 -0.00031 -0.00144 251 9PZ 0.00098 0.00203 0.00233 0.00266 -0.00136 252 10PX -0.00108 0.00205 0.00028 -0.00325 -0.00013 253 10PY 0.00008 -0.00052 -0.00070 -0.00147 -0.00095 254 10PZ -0.00026 0.00037 0.00232 0.00289 -0.00044 255 11XX 0.00055 0.00095 0.00013 -0.00014 0.00019 256 11YY 0.00059 0.00128 0.00026 -0.00005 0.00002 257 11ZZ 0.00066 0.00130 0.00029 0.00004 0.00017 258 11XY -0.00011 -0.00028 0.00003 -0.00001 0.00001 259 11XZ -0.00015 -0.00024 0.00008 0.00013 -0.00021 260 11YZ -0.00002 -0.00023 -0.00002 0.00006 -0.00011 261 12XX 0.00084 0.00081 0.00070 0.00052 -0.00001 262 12YY 0.00137 0.00146 0.00004 -0.00044 0.00048 263 12ZZ 0.00075 0.00090 0.00044 -0.00005 0.00047 264 12XY 0.00013 0.00021 -0.00030 -0.00022 0.00006 265 12XZ -0.00054 -0.00072 -0.00004 -0.00003 0.00062 266 12YZ -0.00027 0.00000 0.00006 -0.00003 0.00045 267 29 C 1S -0.00019 -0.00017 0.00040 0.00134 -0.00063 268 2S 0.00025 0.00058 -0.00068 -0.00272 0.00114 269 2PX 0.00101 0.00092 -0.00049 -0.00396 0.00090 270 2PY 0.00020 -0.00006 0.00021 -0.00025 -0.00038 271 2PZ -0.00006 -0.00224 0.00030 0.00018 -0.00044 272 3S 0.00012 0.00043 -0.00342 -0.00563 0.00576 273 3PX 0.00068 0.00067 -0.00032 -0.00157 0.00141 274 3PY 0.00087 0.00097 0.00153 -0.00063 -0.00075 275 3PZ -0.00071 -0.00243 0.00241 0.00083 -0.00070 276 4XX -0.00000 -0.00000 0.00015 0.00026 -0.00025 277 4YY -0.00013 -0.00025 -0.00004 -0.00012 0.00003 278 4ZZ 0.00003 0.00006 -0.00014 -0.00020 0.00017 279 4XY 0.00020 0.00038 -0.00009 -0.00030 -0.00003 280 4XZ 0.00038 0.00070 -0.00004 -0.00011 -0.00006 281 4YZ -0.00029 -0.00042 -0.00007 0.00006 0.00016 282 30 H 1S -0.00153 -0.00264 0.00042 0.00181 -0.00007 283 2S -0.00330 -0.00533 0.00037 0.00314 0.00040 284 31 H 1S 0.00080 0.00059 0.00005 -0.00102 -0.00010 285 2S 0.00176 0.00284 -0.00112 -0.00093 -0.00111 286 32 H 1S 0.00086 0.00121 0.00009 -0.00172 -0.00054 287 2S 0.00095 0.00139 -0.00118 -0.00057 -0.00219 288 33 H 1S 0.00085 0.00120 0.00003 0.00040 0.00014 289 2S 0.00165 0.00201 -0.00097 -0.00056 -0.00086 290 34 H 1S 0.00007 -0.00049 -0.00008 0.00098 0.00097 291 2S 0.00154 0.00141 0.00005 0.00044 -0.00256 292 35 H 1S 0.00001 0.00007 -0.00005 -0.00024 0.00020 293 2S 0.00039 0.00051 0.00023 -0.00003 0.00016 294 36 H 1S 0.00138 0.00283 0.00022 0.00052 -0.00061 295 2S 0.00285 0.00514 0.00042 0.00062 -0.00143 296 37 H 1S 0.00015 0.00021 -0.00004 -0.00017 0.00003 297 2S 0.00034 0.00033 0.00029 0.00025 -0.00019 298 38 H 1S -0.00016 -0.00100 0.00009 0.00001 -0.00023 299 2S -0.00040 -0.00145 0.00013 -0.00009 -0.00038 300 39 H 1S -0.00025 -0.00020 0.00015 -0.00002 0.00041 301 2S -0.00049 -0.00050 0.00096 0.00088 -0.00012 302 40 H 1S 0.00028 0.00065 0.00002 0.00034 -0.00022 303 2S 0.00009 0.00033 0.00046 0.00100 -0.00184 226 227 228 229 230 226 2S 0.13301 227 23 H 1S -0.00395 0.21778 228 2S -0.00542 0.16923 0.16267 229 24 H 1S 0.00625 0.02754 0.05321 0.21784 230 2S -0.00364 0.05409 0.07852 0.17045 0.15973 231 25 H 1S -0.00387 0.00275 0.00677 0.01978 0.02985 232 2S -0.00772 0.00740 0.01389 0.04087 0.04821 233 26 H 1S 0.00252 -0.00002 -0.00492 -0.02540 -0.02366 234 2S 0.00463 -0.00068 -0.00494 -0.02667 -0.02398 235 27 H 1S -0.00499 -0.00216 0.00184 -0.00418 -0.00878 236 2S -0.00932 -0.00556 -0.00422 -0.01296 -0.01769 237 28 Br 1S 0.00003 0.00091 -0.00957 -0.00008 0.00040 238 2S -0.00009 -0.00574 0.04489 -0.00042 -0.00302 239 3S -0.00003 0.00662 -0.02858 0.00186 0.00423 240 4S 0.00006 0.01035 -0.04298 0.00321 0.00687 241 5S 0.00040 -0.02451 -0.01977 -0.00899 -0.01362 242 6S 0.00013 0.03066 0.02545 0.00300 0.00842 243 7PX 0.00013 -0.00120 -0.00678 -0.00141 -0.00061 244 7PY -0.00008 0.00059 -0.00425 -0.00014 0.00079 245 7PZ 0.00002 0.00273 0.00163 -0.00107 0.00251 246 8PX 0.00003 0.00838 -0.00016 0.00355 0.00650 247 8PY 0.00080 0.00001 -0.00386 -0.00020 -0.00012 248 8PZ 0.00060 -0.00563 0.00231 0.00267 -0.00108 249 9PX -0.00021 -0.01939 0.00658 -0.00710 -0.01479 250 9PY -0.00178 -0.00230 0.01242 0.00044 -0.00093 251 9PZ -0.00138 0.00945 -0.00694 -0.00511 -0.00087 252 10PX -0.00050 -0.01316 0.00681 -0.00621 -0.01183 253 10PY -0.00109 0.00520 0.01596 0.00051 -0.00007 254 10PZ -0.00005 0.01334 -0.00052 -0.00645 -0.00159 255 11XX -0.00002 -0.00455 0.01499 -0.00067 -0.00196 256 11YY -0.00015 -0.00272 0.01886 -0.00024 -0.00153 257 11ZZ 0.00017 -0.00216 0.02012 -0.00092 -0.00209 258 11XY 0.00008 -0.00157 -0.00587 -0.00030 -0.00005 259 11XZ -0.00021 0.00067 0.00152 -0.00047 0.00028 260 11YZ -0.00002 0.00130 0.00118 0.00030 0.00053 261 12XX -0.00007 -0.00354 0.00350 -0.00135 -0.00219 262 12YY 0.00044 -0.00878 -0.00141 -0.00240 -0.00436 263 12ZZ 0.00043 -0.01060 -0.00289 -0.00247 -0.00427 264 12XY 0.00008 0.00605 0.00505 0.00074 0.00141 265 12XZ 0.00092 -0.00129 -0.00032 0.00143 0.00164 266 12YZ 0.00062 -0.00171 -0.00174 -0.00072 -0.00056 267 29 C 1S -0.00059 -0.00580 -0.00702 0.00250 -0.00109 268 2S 0.00102 0.01089 0.01442 -0.00694 0.00000 269 2PX 0.00050 0.00038 0.00371 -0.00802 0.00328 270 2PY -0.00011 -0.01721 -0.03053 0.00772 -0.00360 271 2PZ -0.00057 -0.02528 -0.04834 -0.00988 -0.00953 272 3S 0.00677 0.04004 0.04436 -0.00210 0.00783 273 3PX 0.00117 -0.00306 0.00020 0.00502 0.00876 274 3PY -0.00034 -0.01867 -0.02781 0.00007 -0.00704 275 3PZ -0.00052 -0.02664 -0.03911 -0.01857 -0.01845 276 4XX -0.00026 -0.00074 -0.00136 0.00079 0.00011 277 4YY 0.00001 0.00001 -0.00008 0.00009 0.00005 278 4ZZ 0.00020 -0.00021 -0.00024 -0.00109 -0.00057 279 4XY -0.00014 0.00190 0.00254 -0.00047 0.00023 280 4XZ -0.00017 0.00166 0.00198 0.00003 0.00064 281 4YZ 0.00025 -0.00022 0.00051 0.00048 -0.00010 282 30 H 1S 0.00051 -0.01025 -0.01832 0.00412 -0.00406 283 2S 0.00116 -0.01927 -0.02418 0.01137 0.00158 284 31 H 1S -0.00049 -0.00002 -0.00499 -0.00717 0.00159 285 2S -0.00185 0.00073 -0.00395 0.00359 0.00829 286 32 H 1S -0.00101 0.00451 0.00523 -0.00108 0.00247 287 2S -0.00340 0.00683 0.00792 -0.00187 0.00117 288 33 H 1S -0.00027 -0.00248 0.01077 -0.00198 -0.00338 289 2S -0.00139 0.01016 0.02244 0.00228 0.00194 290 34 H 1S 0.00189 0.00079 -0.00257 -0.00014 -0.00107 291 2S -0.00293 0.00044 -0.00345 -0.00063 -0.00146 292 35 H 1S 0.00011 -0.00251 0.00128 -0.00118 -0.00104 293 2S 0.00007 -0.00417 0.00026 -0.00221 -0.00284 294 36 H 1S -0.00087 -0.00011 -0.00153 0.00099 0.00124 295 2S -0.00189 -0.00058 -0.00127 0.00056 0.00069 296 37 H 1S -0.00003 -0.00021 -0.00285 -0.00052 -0.00045 297 2S -0.00039 -0.00168 -0.00220 -0.00039 -0.00020 298 38 H 1S -0.00041 -0.00040 0.00006 0.00007 -0.00001 299 2S -0.00046 -0.00148 -0.00089 0.00058 0.00030 300 39 H 1S 0.00052 -0.00415 -0.00780 -0.00076 -0.00141 301 2S -0.00011 -0.00604 -0.01055 -0.00258 -0.00315 302 40 H 1S -0.00032 -0.00011 0.00179 0.00114 0.00095 303 2S -0.00228 0.00276 0.00375 0.00285 0.00278 231 232 233 234 235 231 25 H 1S 0.21082 232 2S 0.14106 0.11251 233 26 H 1S -0.01684 -0.03328 0.21110 234 2S -0.03789 -0.03325 0.14672 0.11748 235 27 H 1S -0.00504 -0.00260 -0.01880 -0.01522 0.21250 236 2S -0.00113 -0.00032 -0.01483 -0.01062 0.12990 237 28 Br 1S 0.00210 -0.00431 -0.00109 -0.00251 0.00165 238 2S -0.01195 0.01961 0.00724 0.01362 -0.00993 239 3S 0.01177 -0.01121 -0.00875 -0.01233 0.01046 240 4S 0.01857 -0.01701 -0.01495 -0.01989 0.01848 241 5S -0.01786 -0.01075 0.01599 0.01376 -0.01743 242 6S 0.00395 0.00514 0.00866 0.00183 -0.00694 243 7PX -0.00232 -0.00518 0.00561 0.00833 0.00252 244 7PY -0.00035 -0.00354 -0.00029 -0.00223 0.00628 245 7PZ -0.00452 -0.00663 0.00794 0.00519 -0.00577 246 8PX 0.01331 0.01136 -0.01789 -0.03478 -0.00719 247 8PY 0.00188 0.01619 0.00129 0.00472 -0.01767 248 8PZ 0.02021 0.02061 -0.02490 -0.02402 0.02203 249 9PX -0.02805 -0.01973 0.03460 0.06877 0.01361 250 9PY -0.00339 -0.03177 -0.00267 -0.00797 0.03271 251 9PZ -0.04072 -0.03850 0.04822 0.04911 -0.04550 252 10PX -0.01997 -0.01336 0.03220 0.05791 0.01594 253 10PY -0.00561 -0.02735 -0.00292 -0.00743 0.03318 254 10PZ -0.03438 -0.03184 0.04501 0.04109 -0.04144 255 11XX -0.00606 0.00779 0.00494 0.00694 -0.00359 256 11YY -0.00597 0.00794 0.00235 0.00632 -0.00334 257 11ZZ -0.00584 0.00670 0.00452 0.00592 -0.00797 258 11XY 0.00059 0.00118 0.00009 -0.00047 0.00097 259 11XZ 0.00011 -0.00006 0.00155 -0.00087 0.00222 260 11YZ 0.00004 0.00079 -0.00114 -0.00183 0.00339 261 12XX -0.00368 0.00077 -0.00114 0.00029 -0.00596 262 12YY -0.00516 -0.00113 0.00533 0.00523 -0.00516 263 12ZZ -0.00817 -0.00322 0.00649 0.00839 0.00197 264 12XY -0.00173 -0.00113 0.00100 0.00171 -0.00146 265 12XZ -0.00001 -0.00081 -0.00249 -0.00055 -0.00544 266 12YZ -0.00068 -0.00142 0.00470 0.00451 -0.00866 267 29 C 1S -0.00000 0.00030 -0.00012 -0.00084 0.00107 268 2S -0.00068 -0.00201 0.00017 0.00129 -0.00298 269 2PX -0.00041 -0.00100 -0.00033 0.00128 0.00277 270 2PY -0.00174 -0.00036 0.00105 -0.00525 0.00662 271 2PZ 0.00229 0.00310 -0.00323 0.00178 0.00559 272 3S 0.00150 -0.00243 0.00073 0.00212 -0.00190 273 3PX 0.00312 0.00381 -0.00384 -0.00239 0.00173 274 3PY -0.00034 0.00165 -0.00066 -0.00356 0.00290 275 3PZ 0.00023 -0.00146 -0.00328 -0.00019 0.00373 276 4XX 0.00006 0.00017 -0.00022 -0.00044 0.00016 277 4YY -0.00012 0.00002 -0.00007 -0.00016 0.00066 278 4ZZ 0.00003 -0.00011 -0.00004 0.00034 -0.00071 279 4XY -0.00013 -0.00009 -0.00003 -0.00019 0.00060 280 4XZ 0.00008 0.00030 -0.00013 0.00017 0.00014 281 4YZ -0.00008 -0.00019 0.00021 -0.00008 0.00030 282 30 H 1S 0.00009 0.00010 0.00022 -0.00153 -0.00001 283 2S 0.00205 0.00243 -0.00105 -0.00256 0.00026 284 31 H 1S 0.00129 0.00162 -0.00176 0.00363 -0.00168 285 2S -0.00074 0.00280 0.00227 0.00544 -0.00300 286 32 H 1S -0.00159 -0.00149 0.00040 -0.00207 0.00441 287 2S -0.00196 -0.00196 0.00150 -0.00100 0.00677 288 33 H 1S 0.00025 0.00148 0.00082 -0.00002 -0.00263 289 2S 0.00163 0.00215 -0.00110 -0.00209 0.00131 290 34 H 1S -0.00030 -0.00181 0.00021 0.00104 0.00571 291 2S -0.00086 -0.00241 -0.00037 0.00005 0.01085 292 35 H 1S -0.00023 0.00057 0.00039 0.00088 -0.00015 293 2S -0.00059 0.00023 0.00135 0.00179 -0.00004 294 36 H 1S 0.00067 0.00161 -0.00037 -0.00003 0.00132 295 2S 0.00116 0.00305 0.00014 0.00082 0.00138 296 37 H 1S -0.00015 0.00072 0.00155 0.00407 -0.00026 297 2S 0.00205 0.00170 -0.00244 -0.00110 0.00047 298 38 H 1S -0.00181 -0.00457 -0.00099 -0.00265 -0.00258 299 2S -0.00306 -0.00628 -0.00244 -0.00415 -0.00246 300 39 H 1S 0.00029 -0.00219 0.00338 0.00451 -0.00115 301 2S 0.00088 -0.00181 0.00340 0.00284 0.00038 302 40 H 1S -0.00231 -0.00211 -0.00057 -0.00125 -0.00241 303 2S -0.00079 -0.00040 -0.00285 -0.00452 0.00573 236 237 238 239 240 236 2S 0.09794 237 28 Br 1S -0.00011 2.39661 238 2S -0.00017 -1.27384 4.74943 239 3S 0.00138 0.48704 -2.58382 2.00569 240 4S 0.00290 0.74913 -3.80101 2.99166 4.49720 241 5S -0.00734 0.15451 -0.58447 0.10848 -0.02408 242 6S 0.00415 0.16931 -0.70491 0.28248 0.29614 243 7PX 0.00939 0.00000 -0.00199 0.00473 0.00422 244 7PY 0.00851 -0.00012 -0.00465 0.01185 0.01029 245 7PZ -0.00880 0.00044 -0.00789 0.01554 0.01624 246 8PX -0.01818 -0.00038 0.00331 -0.00532 -0.00777 247 8PY -0.02279 -0.00066 0.00660 -0.01136 -0.01661 248 8PZ 0.03101 -0.00224 0.01724 -0.02477 -0.03735 249 9PX 0.03020 -0.00018 -0.00129 0.00484 0.01084 250 9PY 0.04120 -0.00103 0.00008 0.00867 0.02221 251 9PZ -0.05914 0.00200 -0.01964 0.03205 0.06105 252 10PX 0.02910 0.00364 -0.01838 0.01422 0.02314 253 10PY 0.03765 0.00833 -0.04156 0.03110 0.05087 254 10PZ -0.04496 0.01103 -0.05749 0.04773 0.07738 255 11XX -0.00068 -0.39076 1.80936 -1.12359 -1.66336 256 11YY -0.00042 -0.39075 1.80951 -1.12436 -1.66286 257 11ZZ 0.00008 -0.39075 1.80973 -1.12542 -1.66230 258 11XY 0.00015 -0.00006 0.00029 -0.00017 -0.00049 259 11XZ 0.00222 -0.00001 0.00011 -0.00045 0.00027 260 11YZ 0.00256 -0.00007 0.00048 -0.00094 -0.00023 261 12XX -0.00236 -0.11410 0.53852 -0.34974 -0.51775 262 12YY -0.00080 -0.11464 0.54241 -0.35475 -0.52664 263 12ZZ -0.00276 -0.11496 0.54581 -0.36049 -0.53746 264 12XY -0.00051 0.00034 -0.00162 0.00106 0.00160 265 12XZ -0.00482 -0.00032 0.00245 -0.00338 -0.00615 266 12YZ -0.00724 -0.00036 0.00321 -0.00494 -0.00905 267 29 C 1S 0.00169 0.00006 -0.00038 0.00041 0.00071 268 2S -0.00477 0.00006 -0.00021 0.00003 -0.00007 269 2PX 0.00399 0.00017 -0.00107 0.00120 0.00207 270 2PY 0.01492 0.00095 -0.00586 0.00648 0.01095 271 2PZ 0.00840 0.00062 -0.00378 0.00412 0.00666 272 3S -0.00590 -0.00356 0.01698 -0.01144 -0.01719 273 3PX 0.00208 0.00028 -0.00187 0.00228 0.00399 274 3PY 0.00778 0.00166 -0.00882 0.00762 0.01226 275 3PZ 0.00592 0.00146 -0.00721 0.00528 0.00812 276 4XX 0.00052 0.00005 -0.00032 0.00035 0.00059 277 4YY 0.00124 -0.00013 0.00063 -0.00041 -0.00064 278 4ZZ -0.00136 -0.00004 0.00021 -0.00017 -0.00024 279 4XY 0.00095 0.00001 -0.00003 -0.00000 -0.00001 280 4XZ 0.00006 -0.00006 0.00033 -0.00026 -0.00040 281 4YZ 0.00032 -0.00022 0.00111 -0.00083 -0.00127 282 30 H 1S 0.00131 0.00030 -0.00180 0.00187 0.00301 283 2S 0.00123 -0.00011 0.00012 0.00068 0.00128 284 31 H 1S -0.00437 0.00012 -0.00060 0.00050 0.00068 285 2S -0.00564 -0.00011 0.00057 -0.00044 -0.00083 286 32 H 1S 0.00869 0.00031 -0.00201 0.00237 0.00404 287 2S 0.01161 0.00044 -0.00221 0.00167 0.00249 288 33 H 1S -0.00339 0.00130 -0.00663 0.00527 0.00759 289 2S -0.00001 -0.00366 0.01744 -0.01159 -0.01804 290 34 H 1S 0.01177 -0.00060 0.00324 -0.00291 -0.00458 291 2S 0.01783 -0.00178 0.00885 -0.00661 -0.01007 292 35 H 1S -0.00086 -0.00010 0.00010 0.00068 0.00089 293 2S -0.00094 0.00099 -0.00519 0.00444 0.00652 294 36 H 1S -0.00227 -0.00012 0.00038 0.00010 0.00049 295 2S -0.00284 0.00086 -0.00437 0.00338 0.00546 296 37 H 1S -0.00142 0.00126 -0.00671 0.00589 0.00846 297 2S -0.00109 -0.00682 0.03270 -0.02213 -0.03425 298 38 H 1S -0.00302 -0.00076 0.00420 -0.00395 -0.00614 299 2S -0.00282 -0.00187 0.00951 -0.00753 -0.01146 300 39 H 1S 0.00105 -0.00122 0.00723 -0.00755 -0.01266 301 2S -0.00015 -0.00328 0.01675 -0.01336 -0.02107 302 40 H 1S 0.01439 0.00134 -0.00720 0.00640 0.00957 303 2S 0.01773 -0.00215 0.00997 -0.00608 -0.00945 241 242 243 244 245 241 5S 1.04230 242 6S 0.69557 0.55200 243 7PX -0.00623 0.01197 2.30636 244 7PY -0.01659 0.04041 -0.00022 2.30322 245 7PZ -0.01814 0.01716 -0.00220 -0.00326 2.29884 246 8PX 0.00606 0.01423 -0.86993 0.00061 0.00658 247 8PY 0.02588 -0.00146 0.00061 -0.86040 0.00974 248 8PZ 0.03312 0.05385 0.00658 0.00973 -0.84696 249 9PX -0.00507 -0.04440 0.07709 -0.00154 -0.01306 250 9PY -0.03570 -0.04176 -0.00165 0.05861 -0.01957 251 9PZ -0.04993 -0.13703 -0.01314 -0.01943 0.03332 252 10PX -0.00018 -0.02410 0.13475 0.00183 -0.01272 253 10PY -0.01644 -0.00794 0.00184 0.12077 -0.01250 254 10PZ -0.02160 -0.06725 -0.01147 -0.00996 0.09090 255 11XX -0.16857 -0.26033 -0.00349 -0.00833 -0.00890 256 11YY -0.17349 -0.24929 -0.00305 -0.01045 -0.00906 257 11ZZ -0.18092 -0.22743 -0.00401 -0.00893 -0.01324 258 11XY -0.00180 0.00565 -0.00078 -0.00022 -0.00016 259 11XZ -0.00427 0.01120 -0.00133 -0.00004 -0.00124 260 11YZ -0.00857 0.02290 -0.00013 -0.00173 -0.00136 261 12XX -0.04731 -0.07287 -0.00451 -0.01611 -0.01623 262 12YY -0.03810 -0.07137 -0.00537 -0.00996 -0.01495 263 12ZZ -0.02306 -0.07600 -0.00545 -0.01419 -0.00520 264 12XY 0.00022 -0.00091 0.00338 0.00136 -0.00015 265 12XZ 0.00704 -0.00041 0.00476 0.00052 0.00148 266 12YZ 0.01156 -0.00199 0.00045 0.00593 0.00365 267 29 C 1S 0.00003 -0.00129 -0.00013 -0.00193 -0.00087 268 2S -0.00148 0.00468 -0.00016 0.00434 0.00186 269 2PX -0.00231 0.00054 -0.00020 -0.00202 -0.00027 270 2PY -0.00388 -0.02053 -0.00026 -0.00927 -0.00488 271 2PZ -0.00682 0.00142 0.00045 -0.00691 -0.00240 272 3S -0.00661 0.01003 0.00435 0.00238 0.00062 273 3PX -0.00343 -0.00274 0.00032 -0.00157 -0.00137 274 3PY -0.00166 -0.01336 -0.00022 -0.00808 -0.00275 275 3PZ 0.00023 -0.00329 -0.00154 -0.00082 -0.00047 276 4XX -0.00026 -0.00080 -0.00007 -0.00031 -0.00028 277 4YY -0.00004 0.00025 -0.00021 -0.00041 -0.00030 278 4ZZ 0.00005 0.00004 0.00007 -0.00004 0.00002 279 4XY 0.00003 0.00015 -0.00004 -0.00053 -0.00005 280 4XZ -0.00010 0.00061 0.00001 -0.00017 0.00019 281 4YZ 0.00041 -0.00015 0.00002 -0.00012 -0.00009 282 30 H 1S -0.00137 -0.00436 0.00003 -0.00048 -0.00099 283 2S -0.00133 -0.00485 0.00018 -0.00082 -0.00154 284 31 H 1S -0.00357 0.00911 0.00031 0.00086 0.00079 285 2S -0.00195 0.00684 0.00022 -0.00216 -0.00013 286 32 H 1S -0.00265 -0.00568 -0.00059 -0.00372 -0.00142 287 2S -0.00017 -0.00149 -0.00149 -0.00284 -0.00024 288 33 H 1S -0.00910 0.01654 0.00057 0.00061 0.00200 289 2S -0.00793 0.01801 0.00108 -0.00167 0.00177 290 34 H 1S 0.00467 -0.00324 -0.00015 0.00155 -0.00011 291 2S 0.00380 -0.00326 -0.00090 0.00231 -0.00114 292 35 H 1S -0.00763 0.01253 0.00076 -0.00025 0.00066 293 2S -0.00894 0.01434 0.00084 0.00067 0.00150 294 36 H 1S 0.00001 -0.00490 -0.00016 -0.00166 -0.00125 295 2S 0.00008 -0.00528 -0.00008 -0.00190 -0.00109 296 37 H 1S -0.01439 0.02527 0.00074 0.00076 0.00141 297 2S -0.00881 0.02269 0.00147 -0.00336 0.00091 298 38 H 1S 0.00754 -0.00700 -0.00060 0.00125 0.00026 299 2S 0.00651 -0.00584 -0.00083 0.00133 -0.00072 300 39 H 1S 0.00989 0.00671 -0.00317 0.00719 0.00421 301 2S 0.00607 0.00572 -0.00693 0.00644 0.00277 302 40 H 1S -0.00774 0.00501 0.00147 -0.00054 0.00071 303 2S -0.00335 0.00252 -0.00142 0.00124 -0.00107 246 247 248 249 250 246 8PX 2.48457 247 8PY -0.00156 2.45580 248 8PZ -0.01942 -0.02877 2.41466 249 9PX -0.37120 0.00294 0.03605 0.78603 250 9PY 0.00292 -0.31740 0.05381 -0.00446 0.68763 251 9PZ 0.03578 0.05326 -0.24126 -0.06390 -0.09577 252 10PX -0.35271 -0.00109 0.04099 0.62039 0.00058 253 10PY 0.00063 -0.30392 0.04745 -0.00335 0.52688 254 10PZ 0.03894 0.04332 -0.21522 -0.07349 -0.08558 255 11XX 0.00215 0.00229 0.00658 -0.00108 0.00328 256 11YY 0.00072 0.00852 0.00677 0.00162 -0.00875 257 11ZZ 0.00401 0.00396 0.01945 -0.00474 -0.00009 258 11XY 0.00193 0.00047 0.00057 -0.00381 -0.00090 259 11XZ 0.00385 -0.00001 0.00383 -0.00717 -0.00007 260 11YZ 0.00026 0.00489 0.00380 -0.00054 -0.00943 261 12XX -0.00172 0.01160 0.01330 0.00870 -0.00756 262 12YY 0.00292 -0.00719 0.01192 -0.00031 0.02669 263 12ZZ -0.00161 0.00687 -0.02049 0.00955 0.00063 264 12XY -0.00802 -0.00285 -0.00048 0.01371 0.00469 265 12XZ -0.01471 -0.00070 -0.00659 0.02679 0.00096 266 12YZ -0.00048 -0.01679 -0.01026 0.00056 0.03002 267 29 C 1S 0.00026 0.00625 0.00263 -0.00042 -0.01168 268 2S -0.00003 -0.01105 -0.00563 0.00018 0.01959 269 2PX 0.00053 0.00668 0.00124 -0.00099 -0.01269 270 2PY 0.00080 0.02953 0.01593 -0.00147 -0.05565 271 2PZ -0.00122 0.02220 0.00770 0.00208 -0.04204 272 3S -0.00864 -0.02996 -0.00424 0.01427 0.06304 273 3PX -0.00189 0.00707 0.00098 0.00361 -0.01389 274 3PY 0.00263 0.02848 0.00875 -0.00549 -0.05398 275 3PZ 0.00190 0.01267 0.00212 -0.00246 -0.02727 276 4XX 0.00011 0.00123 0.00051 -0.00020 -0.00241 277 4YY 0.00002 0.00128 0.00053 0.00014 -0.00239 278 4ZZ -0.00023 -0.00070 -0.00025 0.00039 0.00155 279 4XY 0.00022 0.00123 0.00013 -0.00044 -0.00214 280 4XZ 0.00007 -0.00013 -0.00042 -0.00018 0.00046 281 4YZ -0.00019 -0.00063 -0.00023 0.00040 0.00153 282 30 H 1S -0.00023 0.00232 0.00284 0.00050 -0.00487 283 2S -0.00183 0.00292 0.00388 0.00385 -0.00577 284 31 H 1S -0.00078 -0.00206 -0.00245 0.00121 0.00343 285 2S -0.00042 0.00483 0.00075 0.00054 -0.00836 286 32 H 1S 0.00143 0.01204 0.00466 -0.00258 -0.02278 287 2S 0.00373 0.01125 0.00308 -0.00660 -0.02196 288 33 H 1S -0.00140 0.00116 -0.00573 0.00272 -0.00431 289 2S -0.00259 -0.00932 -0.00024 0.00470 0.02193 290 34 H 1S 0.00038 -0.00608 -0.00007 -0.00067 0.01219 291 2S 0.00203 -0.00898 0.00177 -0.00347 0.01785 292 35 H 1S -0.00197 0.00030 -0.00225 0.00395 -0.00104 293 2S -0.00212 -0.00058 -0.00459 0.00436 -0.00037 294 36 H 1S 0.00059 0.00419 0.00357 -0.00128 -0.00744 295 2S -0.00044 0.00642 0.00335 0.00094 -0.01209 296 37 H 1S -0.00350 0.00010 -0.00558 0.00806 -0.00232 297 2S 0.00982 -0.00632 -0.00394 -0.02304 0.01719 298 38 H 1S 0.00239 -0.00509 -0.00069 -0.00498 0.01023 299 2S 0.00369 -0.00867 0.00091 -0.00754 0.01805 300 39 H 1S 0.01054 -0.02396 -0.01392 -0.02025 0.04545 301 2S 0.02709 -0.02885 -0.01549 -0.05238 0.05696 302 40 H 1S -0.00786 0.00538 0.00247 0.01635 -0.01131 303 2S 0.00531 0.00445 -0.00049 -0.01011 -0.01105 251 252 253 254 255 251 9PZ 0.54884 252 10PX -0.07615 0.49506 253 10PY -0.09084 0.00171 0.41158 254 10PZ 0.36414 -0.07408 -0.07375 0.25126 255 11XX -0.00444 -0.00844 -0.01743 -0.02596 2.70548 256 11YY -0.00506 -0.00714 -0.02103 -0.02339 -0.26855 257 11ZZ -0.02874 -0.00840 -0.01514 -0.02884 -0.26811 258 11XY -0.00114 -0.00043 0.00039 0.00034 0.00004 259 11XZ -0.00749 -0.00294 0.00120 -0.00091 0.00001 260 11YZ -0.00764 0.00074 -0.00095 0.00186 0.00049 261 12XX -0.01085 0.00458 -0.01140 -0.01307 0.26463 262 12YY -0.00908 -0.00228 0.01366 -0.01312 0.20359 263 12ZZ 0.05054 0.00252 -0.00768 0.02519 0.20485 264 12XY 0.00122 0.01067 0.00342 0.00007 -0.00056 265 12XZ 0.01267 0.01972 0.00039 0.00698 0.00143 266 12YZ 0.01839 -0.00040 0.02063 0.01002 0.00114 267 29 C 1S -0.00491 -0.00045 -0.00994 -0.00329 -0.00023 268 2S 0.01032 0.00042 0.01774 0.00792 -0.00039 269 2PX -0.00247 -0.00054 -0.01218 -0.00007 -0.00032 270 2PY -0.03038 -0.00186 -0.05495 -0.02827 -0.00234 271 2PZ -0.01502 0.00439 -0.03759 -0.00816 -0.00136 272 3S 0.00948 0.01191 0.05432 0.00692 0.00908 273 3PX -0.00073 0.00283 -0.01262 -0.00063 -0.00150 274 3PY -0.01672 -0.00461 -0.04922 -0.01527 -0.00458 275 3PZ -0.00478 -0.00093 -0.02456 -0.00240 -0.00339 276 4XX -0.00090 -0.00020 -0.00227 -0.00090 -0.00020 277 4YY -0.00088 0.00002 -0.00188 -0.00042 0.00018 278 4ZZ 0.00049 0.00045 0.00134 0.00037 0.00012 279 4XY -0.00021 -0.00047 -0.00169 -0.00003 -0.00002 280 4XZ 0.00072 -0.00011 0.00057 0.00076 0.00019 281 4YZ 0.00063 0.00016 0.00147 0.00036 0.00053 282 30 H 1S -0.00542 0.00042 -0.00558 -0.00630 -0.00077 283 2S -0.00707 0.00284 -0.00624 -0.00739 -0.00008 284 31 H 1S 0.00434 0.00301 0.00427 0.00684 -0.00024 285 2S -0.00166 0.00253 -0.00621 0.00163 0.00038 286 32 H 1S -0.00889 -0.00273 -0.02205 -0.00793 -0.00091 287 2S -0.00667 -0.00612 -0.01996 -0.00468 -0.00075 288 33 H 1S 0.01118 0.00101 0.00365 0.00894 -0.00300 289 2S -0.00105 0.00276 0.02441 0.00036 0.00872 290 34 H 1S 0.00010 -0.00104 0.00776 0.00193 0.00136 291 2S -0.00288 -0.00325 0.01177 -0.00022 0.00383 292 35 H 1S 0.00447 0.00221 0.00292 0.00483 -0.00034 293 2S 0.00887 0.00194 0.00455 0.00793 -0.00266 294 36 H 1S -0.00663 -0.00035 -0.00790 -0.00623 0.00041 295 2S -0.00626 0.00131 -0.01157 -0.00625 -0.00154 296 37 H 1S 0.01136 0.00280 0.00676 0.01125 -0.00368 297 2S 0.00805 -0.02130 0.02113 0.00908 0.01262 298 38 H 1S 0.00106 -0.00170 0.00640 0.00124 0.00220 299 2S -0.00135 -0.00364 0.01267 -0.00009 0.00429 300 39 H 1S 0.02716 -0.02035 0.04279 0.02129 0.00392 301 2S 0.03231 -0.04555 0.05016 0.02432 0.00822 302 40 H 1S -0.00712 0.01349 -0.01070 -0.00324 -0.00451 303 2S 0.00190 -0.00809 -0.01010 0.00299 0.00299 256 257 258 259 260 256 11YY 2.70580 257 11ZZ -0.26763 2.70633 258 11XY 0.00005 0.00013 1.98276 259 11XZ 0.00020 0.00012 -0.00019 1.98264 260 11YZ 0.00012 0.00032 -0.00007 0.00004 1.98250 261 12XX 0.19848 0.19316 -0.00115 -0.00261 -0.00629 262 12YY 0.26444 0.19468 -0.00109 -0.00318 -0.00481 263 12ZZ 0.20137 0.26296 -0.00116 -0.00258 -0.00514 264 12XY -0.00065 -0.00079 0.04230 0.00052 0.00016 265 12XZ 0.00091 0.00184 0.00059 0.04283 0.00009 266 12YZ 0.00255 0.00212 0.00027 0.00000 0.04347 267 29 C 1S -0.00037 0.00007 -0.00002 0.00001 0.00015 268 2S 0.00088 -0.00073 0.00027 0.00015 0.00039 269 2PX -0.00134 0.00002 -0.00008 -0.00003 -0.00007 270 2PY -0.00525 -0.00155 -0.00036 0.00010 -0.00100 271 2PZ -0.00365 -0.00089 0.00003 0.00007 -0.00076 272 3S 0.00469 0.00706 -0.00192 -0.00085 -0.00289 273 3PX -0.00068 -0.00083 -0.00036 -0.00056 0.00103 274 3PY -0.00400 -0.00353 0.00099 0.00098 0.00104 275 3PZ -0.00299 -0.00281 0.00055 0.00040 0.00015 276 4XX -0.00017 -0.00013 0.00005 0.00006 0.00013 277 4YY 0.00023 0.00037 -0.00014 -0.00004 0.00014 278 4ZZ 0.00013 0.00003 -0.00000 0.00001 0.00004 279 4XY -0.00006 0.00006 -0.00003 -0.00000 0.00006 280 4XZ 0.00012 0.00013 -0.00001 -0.00001 -0.00002 281 4YZ 0.00042 0.00049 -0.00010 -0.00006 -0.00001 282 30 H 1S -0.00110 -0.00091 0.00003 0.00007 -0.00036 283 2S -0.00053 0.00015 -0.00018 -0.00067 0.00023 284 31 H 1S -0.00026 -0.00035 0.00025 0.00010 -0.00010 285 2S 0.00027 0.00005 0.00019 0.00008 -0.00040 286 32 H 1S -0.00200 -0.00033 -0.00029 0.00004 -0.00005 287 2S -0.00202 -0.00009 -0.00032 0.00008 -0.00020 288 33 H 1S -0.00305 -0.00306 0.00010 -0.00000 0.00101 289 2S 0.00480 0.00762 0.00016 -0.00007 0.00156 290 34 H 1S 0.00150 0.00180 -0.00020 -0.00002 -0.00007 291 2S 0.00343 0.00427 -0.00021 0.00023 0.00043 292 35 H 1S -0.00029 0.00000 0.00035 -0.00004 0.00054 293 2S -0.00223 -0.00248 0.00019 0.00013 0.00041 294 36 H 1S -0.00016 -0.00001 -0.00003 0.00003 -0.00059 295 2S -0.00200 -0.00217 -0.00007 -0.00008 -0.00047 296 37 H 1S -0.00288 -0.00317 0.00056 -0.00045 0.00078 297 2S 0.01273 0.01475 0.00295 -0.00073 0.00000 298 38 H 1S 0.00198 0.00202 -0.00001 0.00034 -0.00019 299 2S 0.00378 0.00472 0.00056 0.00023 0.00018 300 39 H 1S 0.00452 0.00249 -0.00113 -0.00172 0.00066 301 2S 0.00833 0.00563 0.00034 -0.00012 -0.00129 302 40 H 1S -0.00335 -0.00241 0.00003 0.00064 0.00076 303 2S 0.00481 0.00391 -0.00028 0.00101 0.00071 261 262 263 264 265 261 12XX 0.06865 262 12YY 0.06695 0.07147 263 12ZZ 0.06705 0.06904 0.07943 264 12XY -0.00015 -0.00003 0.00021 0.00178 265 12XZ 0.00072 0.00032 0.00265 0.00080 0.00334 266 12YZ -0.00015 0.00268 0.00423 0.00059 0.00095 267 29 C 1S 0.00023 0.00031 -0.00066 -0.00003 -0.00003 268 2S -0.00106 -0.00106 0.00104 -0.00003 0.00017 269 2PX -0.00070 0.00060 -0.00142 0.00027 0.00046 270 2PY -0.00003 0.00416 -0.00521 0.00086 -0.00087 271 2PZ -0.00308 0.00115 -0.00404 0.00027 0.00029 272 3S -0.00037 0.00053 0.00241 0.00104 0.00090 273 3PX -0.00048 0.00002 -0.00097 -0.00001 0.00042 274 3PY -0.00006 0.00109 -0.00335 -0.00009 -0.00098 275 3PZ -0.00130 0.00059 -0.00148 -0.00035 0.00004 276 4XX -0.00003 0.00013 -0.00022 0.00002 -0.00002 277 4YY 0.00012 0.00007 -0.00020 0.00004 -0.00003 278 4ZZ 0.00004 -0.00006 0.00030 -0.00004 0.00006 279 4XY 0.00007 -0.00001 -0.00018 0.00008 -0.00001 280 4XZ 0.00000 -0.00009 0.00006 0.00005 0.00003 281 4YZ 0.00027 0.00008 0.00027 -0.00003 -0.00002 282 30 H 1S -0.00067 0.00081 -0.00086 -0.00002 -0.00028 283 2S -0.00034 0.00114 -0.00071 -0.00029 0.00006 284 31 H 1S -0.00209 -0.00113 -0.00018 -0.00002 0.00064 285 2S -0.00119 -0.00074 -0.00026 0.00005 0.00025 286 32 H 1S -0.00022 0.00140 -0.00262 0.00071 -0.00023 287 2S -0.00008 0.00095 -0.00275 0.00083 -0.00033 288 33 H 1S -0.00548 -0.00264 -0.00378 -0.00054 -0.00006 289 2S -0.00186 0.00040 -0.00143 -0.00030 -0.00005 290 34 H 1S 0.00235 0.00080 0.00111 0.00029 -0.00012 291 2S 0.00277 0.00211 0.00081 0.00028 -0.00033 292 35 H 1S -0.00250 -0.00195 -0.00284 -0.00100 0.00038 293 2S -0.00382 -0.00297 -0.00356 -0.00114 0.00064 294 36 H 1S -0.00006 0.00110 0.00086 0.00023 -0.00010 295 2S -0.00060 0.00035 0.00056 0.00024 -0.00001 296 37 H 1S -0.00502 -0.00552 -0.00624 -0.00266 0.00225 297 2S 0.00007 0.00089 -0.00019 -0.00222 0.00138 298 38 H 1S 0.00206 0.00226 0.00258 0.00092 -0.00076 299 2S 0.00260 0.00313 0.00248 0.00036 -0.00081 300 39 H 1S -0.00034 0.00146 0.00571 0.00291 0.00405 301 2S -0.00049 0.00327 0.00646 0.00167 0.00258 302 40 H 1S 0.00024 -0.00432 -0.00620 -0.00029 -0.00213 303 2S 0.00206 -0.00101 -0.00211 0.00002 -0.00211 266 267 268 269 270 266 12YZ 0.00525 267 29 C 1S -0.00055 2.05180 268 2S 0.00167 -0.05315 0.29822 269 2PX -0.00073 -0.00127 0.00444 0.41852 270 2PY -0.00146 -0.00588 0.01233 -0.00429 0.39032 271 2PZ 0.00047 -0.00508 0.00702 -0.00776 -0.02744 272 3S 0.00292 -0.19102 0.29922 -0.00174 -0.00116 273 3PX -0.00075 0.00286 -0.00345 0.20812 0.00831 274 3PY -0.00155 0.00219 -0.00076 0.00955 0.19401 275 3PZ -0.00003 0.00061 0.00117 -0.00674 -0.01395 276 4XX -0.00008 -0.01866 0.00067 -0.00826 0.01561 277 4YY -0.00033 -0.01771 -0.00135 0.00611 0.00231 278 4ZZ 0.00025 -0.01688 -0.00326 0.00354 -0.01459 279 4XY -0.00030 0.00008 -0.00007 0.01860 0.00625 280 4XZ -0.00001 0.00046 -0.00098 0.00483 -0.01121 281 4YZ -0.00017 0.00153 -0.00331 -0.01141 0.00018 282 30 H 1S 0.00074 -0.05486 0.10396 -0.23334 0.11940 283 2S 0.00014 -0.00465 0.01927 -0.17970 0.09621 284 31 H 1S 0.00172 -0.05386 0.10209 0.08499 -0.14574 285 2S 0.00143 -0.00552 0.02012 0.07021 -0.11896 286 32 H 1S -0.00125 -0.05502 0.10755 0.18440 0.18166 287 2S -0.00207 -0.00717 0.02605 0.12979 0.13134 288 33 H 1S -0.00271 -0.00713 0.01360 -0.00445 -0.01056 289 2S -0.00208 -0.00918 0.01904 -0.00868 -0.01379 290 34 H 1S 0.00035 0.00516 -0.01101 -0.00032 0.00476 291 2S -0.00035 0.00340 -0.00751 0.00621 0.01899 292 35 H 1S -0.00114 0.00278 -0.00675 0.01552 -0.00666 293 2S -0.00130 -0.00177 0.00061 0.00211 0.00254 294 36 H 1S 0.00163 -0.00213 0.00455 -0.00980 0.00111 295 2S 0.00151 -0.00230 0.00488 -0.01593 0.00096 296 37 H 1S -0.00149 0.00191 -0.00481 0.00485 0.00068 297 2S -0.00092 0.00211 -0.00542 0.00899 -0.00180 298 38 H 1S 0.00033 -0.00020 -0.00019 -0.00035 0.00335 299 2S 0.00020 0.00010 -0.00088 0.00415 0.00384 300 39 H 1S 0.00078 0.00485 -0.01169 0.01758 0.00935 301 2S 0.00227 0.00051 -0.00342 -0.00233 0.00272 302 40 H 1S -0.00217 -0.00203 0.00407 -0.00948 -0.00092 303 2S -0.00251 -0.00191 0.00354 -0.01659 0.00301 271 272 273 274 275 271 2PZ 0.38292 272 3S -0.00771 0.33023 273 3PX -0.00737 -0.00811 0.10549 274 3PY -0.02018 -0.01403 0.01065 0.10271 275 3PZ 0.17470 -0.01245 -0.00535 -0.00649 0.08533 276 4XX 0.00222 0.00144 -0.00368 0.00726 0.00086 277 4YY -0.00156 -0.00051 0.00313 0.00155 -0.00060 278 4ZZ 0.00313 -0.00249 0.00141 -0.00677 0.00185 279 4XY -0.01148 -0.00022 0.00946 0.00380 -0.00532 280 4XZ 0.00380 -0.00102 0.00216 -0.00533 0.00170 281 4YZ -0.01641 -0.00299 -0.00541 0.00035 -0.00698 282 30 H 1S 0.05841 0.10407 -0.11516 0.04874 0.02669 283 2S 0.04755 0.01605 -0.08620 0.03978 0.02092 284 31 H 1S 0.20755 0.10013 0.03502 -0.07564 0.09326 285 2S 0.16828 0.01399 0.03066 -0.05911 0.07521 286 32 H 1S -0.06150 0.10322 0.09469 0.09281 -0.03113 287 2S -0.04092 0.01968 0.06701 0.06605 -0.02056 288 33 H 1S -0.02903 0.04466 -0.00210 -0.01588 -0.02498 289 2S -0.05541 0.05097 -0.00439 -0.01808 -0.03845 290 34 H 1S 0.02125 -0.02654 -0.00747 0.00525 0.01462 291 2S 0.02037 -0.02150 -0.00266 0.01150 0.01444 292 35 H 1S -0.00209 -0.00595 0.01235 -0.00858 -0.01569 293 2S -0.01287 0.00625 0.00391 -0.00472 -0.01929 294 36 H 1S -0.00099 0.00970 -0.00843 0.00210 0.00613 295 2S -0.00057 0.00819 -0.01094 0.00238 0.00565 296 37 H 1S -0.00012 -0.00381 -0.00031 -0.00215 -0.00430 297 2S -0.00567 -0.00234 0.00228 -0.00538 -0.00867 298 38 H 1S 0.00254 0.00426 0.00069 0.00185 0.00177 299 2S 0.00423 0.00335 0.00374 0.00162 0.00258 300 39 H 1S 0.00491 -0.00989 0.00540 -0.00637 -0.00055 301 2S 0.01403 -0.00104 -0.00471 -0.00798 0.00347 302 40 H 1S -0.00037 0.00376 -0.00540 0.00524 0.00123 303 2S 0.00036 0.00079 -0.00839 0.00648 0.00208 276 277 278 279 280 276 4XX 0.00099 277 4YY 0.00014 0.00048 278 4ZZ -0.00052 -0.00007 0.00109 279 4XY -0.00018 0.00042 -0.00022 0.00142 280 4XZ -0.00051 -0.00004 0.00053 0.00009 0.00061 281 4YZ 0.00007 -0.00000 -0.00021 -0.00005 -0.00033 282 30 H 1S 0.01018 -0.00300 -0.00682 -0.01069 -0.00632 283 2S 0.00785 -0.00211 -0.00524 -0.00874 -0.00547 284 31 H 1S -0.00546 -0.00098 0.00713 -0.00428 0.00683 285 2S -0.00485 -0.00131 0.00700 -0.00340 0.00625 286 32 H 1S 0.00377 0.00413 -0.00670 0.01287 -0.00353 287 2S 0.00273 0.00339 -0.00512 0.00973 -0.00216 288 33 H 1S 0.00004 0.00102 -0.00236 0.00070 -0.00122 289 2S -0.00016 0.00105 -0.00281 0.00122 -0.00135 290 34 H 1S -0.00026 0.00106 -0.00045 -0.00013 0.00011 291 2S 0.00046 0.00165 -0.00168 0.00067 -0.00031 292 35 H 1S -0.00022 0.00026 -0.00026 0.00056 0.00072 293 2S 0.00032 0.00030 -0.00105 0.00052 -0.00007 294 36 H 1S -0.00022 -0.00078 0.00098 -0.00014 0.00006 295 2S -0.00006 -0.00115 0.00125 -0.00028 0.00038 296 37 H 1S 0.00002 0.00015 -0.00010 0.00057 0.00029 297 2S -0.00012 0.00018 -0.00019 0.00088 0.00035 298 38 H 1S 0.00007 -0.00008 -0.00016 -0.00006 -0.00012 299 2S 0.00010 -0.00005 -0.00021 -0.00004 -0.00016 300 39 H 1S 0.00053 -0.00001 -0.00021 0.00148 0.00006 301 2S 0.00057 -0.00041 -0.00001 -0.00004 0.00012 302 40 H 1S -0.00036 0.00044 -0.00033 -0.00022 0.00033 303 2S 0.00013 0.00081 -0.00096 0.00002 0.00045 281 282 283 284 285 281 4YZ 0.00119 282 30 H 1S 0.00292 0.21245 283 2S 0.00305 0.14692 0.11799 284 31 H 1S -0.01230 -0.02395 -0.04087 0.21194 285 2S -0.00980 -0.04338 -0.03964 0.15304 0.12661 286 32 H 1S -0.00398 -0.02087 -0.03615 -0.01990 -0.03849 287 2S -0.00241 -0.03134 -0.02841 -0.03212 -0.03215 288 33 H 1S 0.00182 0.00362 0.00418 -0.01316 -0.02448 289 2S 0.00292 0.00329 0.00347 -0.02451 -0.03412 290 34 H 1S -0.00139 -0.00059 -0.00214 0.00526 0.00756 291 2S -0.00119 0.00135 -0.00070 0.00072 0.00060 292 35 H 1S -0.00031 -0.00633 0.01090 0.00201 0.00550 293 2S 0.00057 0.00412 0.01479 -0.00776 -0.00589 294 36 H 1S 0.00017 0.00243 -0.00873 0.00098 0.00110 295 2S 0.00009 0.00539 -0.00693 0.00117 0.00302 296 37 H 1S -0.00011 -0.00230 0.00146 -0.00057 0.00307 297 2S 0.00004 -0.00541 0.00096 -0.00216 0.00125 298 38 H 1S 0.00006 0.00065 -0.00046 -0.00022 -0.00181 299 2S -0.00007 -0.00115 -0.00065 0.00092 -0.00118 300 39 H 1S -0.00054 -0.00685 0.00259 -0.00114 0.00193 301 2S -0.00048 0.00622 0.00970 0.00493 0.00552 302 40 H 1S 0.00051 0.00383 -0.00256 -0.00112 -0.00185 303 2S 0.00078 0.00856 0.00111 -0.00432 -0.00517 286 287 288 289 290 286 32 H 1S 0.20943 287 2S 0.13425 0.09865 288 33 H 1S 0.00438 0.00153 0.21401 289 2S 0.00653 0.00250 0.16088 0.14068 290 34 H 1S -0.00166 0.00915 -0.02181 -0.04336 0.21428 291 2S 0.01014 0.01795 -0.04023 -0.04156 0.15159 292 35 H 1S 0.00225 0.00393 0.02841 0.04827 -0.01698 293 2S 0.00490 0.00497 0.04851 0.06327 -0.01700 294 36 H 1S -0.00323 -0.00511 -0.01683 -0.01839 -0.01102 295 2S -0.00591 -0.00705 -0.01625 -0.01703 -0.00914 296 37 H 1S 0.00204 0.00548 -0.00092 0.01197 0.00161 297 2S 0.00341 0.00700 0.01161 0.02387 -0.00399 298 38 H 1S 0.00063 -0.00059 0.00188 -0.00397 -0.00993 299 2S 0.00208 0.00011 0.00260 -0.00390 -0.01906 300 39 H 1S 0.00921 0.01540 -0.00192 0.00124 -0.00244 301 2S -0.00153 0.00473 0.00006 0.00432 -0.00246 302 40 H 1S -0.00230 -0.00164 -0.00056 -0.00133 0.00361 303 2S -0.00220 0.00104 -0.00183 -0.00186 0.00800 291 292 293 294 295 291 2S 0.12348 292 35 H 1S -0.01734 0.21462 293 2S -0.01643 0.16152 0.13961 294 36 H 1S -0.00902 -0.02065 -0.04301 0.21248 295 2S -0.00725 -0.03740 -0.04072 0.15112 0.12025 296 37 H 1S 0.00252 0.02866 0.04725 -0.01644 -0.01662 297 2S -0.00368 0.04996 0.06256 -0.01849 -0.01765 298 38 H 1S -0.01858 -0.01682 -0.01694 -0.01048 -0.00929 299 2S -0.02459 -0.01662 -0.01625 -0.00852 -0.00763 300 39 H 1S -0.00408 -0.00122 0.00617 0.00503 0.00472 301 2S -0.00369 0.01006 0.01710 0.00072 0.00025 302 40 H 1S 0.00682 0.00179 -0.00147 -0.01070 -0.01750 303 2S 0.01333 0.00306 -0.00136 -0.02157 -0.02570 296 297 298 299 300 296 37 H 1S 0.21313 297 2S 0.15665 0.13400 298 38 H 1S -0.02214 -0.04281 0.21273 299 2S -0.03800 -0.03961 0.14921 0.11742 300 39 H 1S 0.02599 0.04260 -0.01814 -0.01765 0.20908 301 2S 0.04650 0.05741 -0.02057 -0.01843 0.14159 302 40 H 1S -0.01564 -0.01509 -0.01018 -0.00769 -0.01993 303 2S -0.01784 -0.01471 -0.00698 -0.00489 -0.03553 301 302 303 301 2S 0.11404 302 40 H 1S -0.03840 0.21280 303 2S -0.03344 0.14533 0.11494 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05179 2 2S -0.01167 0.30531 3 2PX 0.00000 0.00000 0.36937 4 2PY 0.00000 0.00000 -0.00000 0.42224 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.40520 6 3S -0.03659 0.24164 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.08520 -0.00000 0.00000 8 3PY 0.00000 0.00000 -0.00000 0.11568 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.11423 10 4XX -0.00121 -0.00399 0.00000 0.00000 0.00000 11 4YY -0.00141 -0.00033 0.00000 0.00000 0.00000 12 4ZZ -0.00135 -0.00170 0.00000 0.00000 0.00000 13 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00000 -0.00014 -0.00016 -0.00029 -0.00062 17 2S -0.00014 0.00368 0.00346 0.00608 0.01295 18 2PX -0.00023 0.00447 -0.00046 0.00484 0.00989 19 2PY -0.00031 0.00665 0.00447 0.00172 0.01512 20 2PZ -0.00067 0.01457 0.00977 0.01576 0.01989 21 3S 0.00038 -0.00007 0.00274 0.00557 0.01261 22 3PX -0.00030 0.00369 -0.00302 0.00256 0.00568 23 3PY -0.00030 0.00477 0.00235 -0.00271 0.00629 24 3PZ -0.00087 0.01159 0.00591 0.00739 0.00330 25 4XX 0.00000 -0.00020 -0.00007 -0.00019 -0.00008 26 4YY -0.00000 0.00000 0.00012 -0.00025 0.00006 27 4ZZ -0.00003 0.00071 0.00050 0.00105 -0.00059 28 4XY -0.00001 0.00028 0.00000 0.00006 0.00070 29 4XZ -0.00003 0.00055 0.00000 0.00066 0.00049 30 4YZ -0.00005 0.00101 0.00067 0.00001 0.00095 31 3 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 32 2S 0.00000 -0.00003 0.00000 -0.00011 -0.00005 33 2PX 0.00000 -0.00000 0.00000 -0.00001 -0.00000 34 2PY 0.00000 -0.00010 0.00001 -0.00021 -0.00022 35 2PZ 0.00000 -0.00008 0.00001 -0.00019 -0.00005 36 3S 0.00002 -0.00033 -0.00004 -0.00187 -0.00065 37 3PX 0.00000 -0.00004 0.00015 -0.00016 -0.00009 38 3PY 0.00007 -0.00116 -0.00002 -0.00174 -0.00229 39 3PZ 0.00008 -0.00108 0.00006 -0.00140 -0.00023 40 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 41 4YY -0.00000 0.00000 -0.00000 0.00001 0.00002 42 4ZZ -0.00000 0.00000 -0.00000 0.00002 0.00001 43 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 44 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 45 4YZ -0.00000 0.00001 -0.00000 0.00004 0.00003 46 4 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 48 2PX 0.00000 -0.00000 0.00000 -0.00001 -0.00001 49 2PY 0.00000 -0.00000 -0.00001 0.00000 -0.00001 50 2PZ 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 51 3S 0.00001 -0.00020 -0.00008 -0.00023 -0.00019 52 3PX 0.00001 -0.00018 0.00012 -0.00007 -0.00030 53 3PY 0.00000 -0.00007 -0.00012 -0.00001 0.00010 54 3PZ 0.00001 -0.00025 -0.00025 -0.00013 -0.00031 55 4XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 56 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 57 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 58 4XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 59 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 60 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 61 5 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00002 -0.00011 -0.00001 -0.00001 63 2PX 0.00000 -0.00011 -0.00044 -0.00000 -0.00004 64 2PY 0.00000 -0.00002 -0.00007 -0.00000 -0.00001 65 2PZ 0.00000 -0.00001 -0.00004 -0.00001 -0.00000 66 3S 0.00002 -0.00009 -0.00253 -0.00066 0.00011 67 3PX 0.00009 -0.00088 -0.00208 -0.00056 -0.00007 68 3PY 0.00002 -0.00022 -0.00111 0.00027 -0.00012 69 3PZ 0.00002 -0.00019 -0.00049 -0.00033 -0.00035 70 4XX -0.00000 0.00001 0.00005 0.00000 0.00000 71 4YY 0.00000 -0.00000 -0.00001 0.00000 -0.00000 72 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 73 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 74 4XZ -0.00000 0.00000 0.00001 -0.00000 0.00000 75 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 76 6 C 1S 0.00000 -0.00022 -0.00153 -0.00007 -0.00006 77 2S -0.00021 0.00561 0.02962 0.00156 0.00127 78 2PX -0.00132 0.02401 0.07569 0.00505 0.00384 79 2PY -0.00005 0.00086 0.00448 0.00059 -0.00018 80 2PZ -0.00003 0.00042 0.00312 -0.00007 0.00401 81 3S 0.00039 0.00010 0.03746 0.00029 0.00188 82 3PX -0.00010 0.01151 0.01768 0.00274 0.00288 83 3PY 0.00003 -0.00019 0.00099 0.00537 -0.00024 84 3PZ 0.00001 0.00017 0.00183 0.00000 0.00478 85 4XX -0.00014 0.00258 0.00099 0.00057 0.00028 86 4YY 0.00000 -0.00038 -0.00105 0.00004 -0.00003 87 4ZZ 0.00000 -0.00024 -0.00057 -0.00005 0.00003 88 4XY -0.00001 0.00024 0.00039 0.00106 0.00003 89 4XZ -0.00001 0.00010 0.00026 0.00003 0.00118 90 4YZ -0.00000 0.00001 0.00007 0.00003 0.00009 91 7 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00003 -0.00011 -0.00009 -0.00000 93 2PX 0.00000 -0.00010 -0.00021 -0.00021 -0.00000 94 2PY 0.00000 -0.00005 -0.00028 -0.00006 -0.00000 95 2PZ 0.00000 -0.00000 -0.00001 -0.00001 -0.00002 96 3S 0.00005 -0.00076 -0.00245 -0.00265 -0.00007 97 3PX 0.00005 -0.00113 -0.00059 0.00027 0.00002 98 3PY 0.00003 -0.00036 -0.00313 -0.00021 -0.00002 99 3PZ -0.00000 0.00004 -0.00009 0.00001 -0.00031 100 4XX -0.00000 0.00001 0.00003 0.00002 -0.00000 101 4YY 0.00000 -0.00000 -0.00001 -0.00000 0.00000 102 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 103 4XY -0.00000 0.00001 0.00004 0.00001 -0.00000 104 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 106 8 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 107 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 108 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 109 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 110 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 111 3S -0.00000 0.00001 0.00003 0.00003 0.00000 112 3PX -0.00000 0.00003 0.00012 0.00008 -0.00000 113 3PY -0.00000 0.00000 0.00002 0.00001 -0.00000 114 3PZ -0.00000 0.00000 0.00001 0.00000 0.00000 115 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 116 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 117 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 118 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 119 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 120 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 121 9 C 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 122 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 123 2PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 124 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 125 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 126 3S 0.00000 -0.00000 0.00000 -0.00000 0.00000 127 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 128 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 129 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 130 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 131 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 132 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 133 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 134 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 135 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 136 10 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 137 2S -0.00000 0.00000 0.00000 0.00000 0.00000 138 2PX -0.00000 0.00000 0.00000 -0.00000 0.00000 139 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 140 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 141 3S -0.00000 0.00001 0.00006 -0.00000 0.00000 142 3PX -0.00000 0.00002 0.00012 0.00000 0.00001 143 3PY 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 144 3PZ -0.00000 0.00000 0.00002 0.00000 -0.00000 145 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 146 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 147 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 148 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 149 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 150 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 151 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 152 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 153 2PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 154 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 155 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 156 3S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 157 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 158 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 159 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 160 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 161 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 162 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 163 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 164 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 165 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 166 12 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 167 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 168 13 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 169 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 170 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 171 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 172 2PX 0.00000 0.00000 0.00000 -0.00000 0.00000 173 2PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 174 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 175 3S -0.00000 0.00000 0.00000 -0.00000 0.00000 176 3PX -0.00000 0.00000 0.00000 -0.00000 0.00000 177 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 178 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 179 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 180 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 181 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 182 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 183 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 184 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 185 15 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 186 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 187 16 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 188 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 189 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 191 2PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 192 2PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 193 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 194 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 195 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 196 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 197 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 198 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 199 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 200 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 201 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 202 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 203 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 204 18 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 205 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 206 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 207 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 208 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 209 3S 0.00000 0.00000 0.00000 -0.00000 0.00000 210 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 211 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 212 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 213 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 214 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 215 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 216 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 217 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 218 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 219 19 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 220 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 221 20 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 222 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 223 21 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 224 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 225 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 226 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 227 23 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 228 2S -0.00000 0.00000 0.00000 0.00000 0.00000 229 24 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 230 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 231 25 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 232 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 233 26 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 234 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 235 27 H 1S 0.00000 -0.00001 -0.00001 -0.00002 -0.00000 236 2S 0.00001 -0.00017 -0.00062 0.00002 0.00007 237 28 Br 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 238 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 239 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 240 4S -0.00000 0.00000 -0.00000 0.00000 0.00000 241 5S 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 242 6S 0.00000 0.00001 0.00002 0.00007 -0.00017 243 7PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 244 7PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 245 7PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 246 8PX -0.00000 0.00000 0.00000 0.00000 0.00000 247 8PY -0.00000 0.00000 0.00000 0.00000 0.00000 248 8PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 249 9PX 0.00000 -0.00001 -0.00001 -0.00003 -0.00001 250 9PY 0.00000 -0.00001 -0.00001 -0.00002 -0.00005 251 9PZ 0.00000 -0.00000 0.00001 -0.00002 -0.00002 252 10PX 0.00003 -0.00064 -0.00012 -0.00077 -0.00032 253 10PY 0.00003 -0.00057 -0.00018 -0.00057 -0.00155 254 10PZ 0.00000 -0.00007 0.00028 -0.00028 -0.00041 255 11XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 256 11YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 257 11ZZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 258 11XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 259 11XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 260 11YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 261 12XX -0.00000 -0.00000 0.00000 0.00000 -0.00001 262 12YY 0.00000 -0.00002 0.00000 -0.00003 -0.00000 263 12ZZ 0.00000 -0.00002 -0.00000 -0.00006 -0.00001 264 12XY -0.00000 0.00001 0.00002 0.00003 0.00003 265 12XZ -0.00000 0.00000 0.00000 0.00003 0.00002 266 12YZ 0.00000 -0.00001 -0.00001 -0.00002 0.00001 267 29 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 268 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 269 2PX 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 270 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 271 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 272 3S 0.00000 -0.00003 -0.00011 -0.00008 -0.00004 273 3PX 0.00001 -0.00020 -0.00025 -0.00022 -0.00006 274 3PY -0.00000 0.00005 0.00009 0.00008 0.00003 275 3PZ -0.00000 0.00000 -0.00002 0.00002 -0.00001 276 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 277 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 278 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 279 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 280 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 281 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 282 30 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 283 2S -0.00000 -0.00001 0.00013 -0.00000 -0.00002 284 31 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 285 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 286 32 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 287 2S -0.00000 0.00000 0.00000 0.00001 0.00000 288 33 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 289 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 290 34 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 291 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 292 35 H 1S 0.00000 -0.00000 0.00000 -0.00001 -0.00000 293 2S 0.00000 -0.00014 0.00001 -0.00023 -0.00008 294 36 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 295 2S -0.00000 0.00008 0.00001 0.00018 0.00015 296 37 H 1S 0.00000 -0.00016 -0.00007 -0.00000 -0.00046 297 2S 0.00014 -0.00260 -0.00065 0.00002 -0.00671 298 38 H 1S 0.00000 -0.00014 -0.00025 -0.00014 -0.00008 299 2S 0.00015 -0.00224 -0.00328 -0.00170 -0.00083 300 39 H 1S -0.00162 0.02607 0.00009 0.03035 0.06515 301 2S -0.00020 0.00592 0.00006 0.01711 0.03582 302 40 H 1S -0.00176 0.02853 0.02527 0.07024 0.00342 303 2S -0.00062 0.00969 0.01388 0.03871 0.00196 6 7 8 9 10 6 3S 0.33203 7 3PX 0.00000 0.07074 8 3PY 0.00000 -0.00000 0.10138 9 3PZ 0.00000 0.00000 0.00000 0.10725 10 4XX -0.00434 0.00000 0.00000 0.00000 0.00157 11 4YY 0.00090 0.00000 0.00000 0.00000 -0.00012 12 4ZZ -0.00020 0.00000 0.00000 0.00000 -0.00022 13 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 15 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00037 -0.00014 -0.00031 -0.00075 0.00000 17 2S -0.00021 0.00265 0.00455 0.01078 -0.00017 18 2PX 0.00918 -0.00048 0.00213 0.00645 -0.00011 19 2PY 0.00719 0.00310 -0.00252 0.01018 -0.00022 20 2PZ 0.01705 0.00870 0.01224 0.00449 -0.00015 21 3S -0.01568 0.00062 0.00198 0.00613 -0.00026 22 3PX 0.00869 -0.00135 0.00113 0.00440 -0.00057 23 3PY 0.00379 0.00201 -0.00462 0.00499 -0.00026 24 3PZ 0.01186 0.00647 0.00746 -0.00366 -0.00012 25 4XX -0.00104 -0.00021 -0.00008 -0.00025 0.00002 26 4YY 0.00029 0.00004 -0.00060 0.00025 -0.00001 27 4ZZ 0.00145 0.00029 0.00082 -0.00054 -0.00006 28 4XY 0.00011 -0.00004 -0.00004 0.00020 0.00000 29 4XZ 0.00035 0.00003 0.00016 0.00005 -0.00000 30 4YZ 0.00071 0.00022 -0.00003 0.00011 -0.00003 31 3 C 1S 0.00002 -0.00000 0.00010 0.00004 0.00000 32 2S -0.00010 0.00006 -0.00138 -0.00060 -0.00000 33 2PX 0.00010 -0.00002 -0.00010 0.00005 0.00000 34 2PY -0.00110 0.00022 -0.00185 -0.00291 -0.00000 35 2PZ -0.00151 0.00025 -0.00181 -0.00041 -0.00000 36 3S 0.00090 0.00004 -0.00474 -0.00119 -0.00004 37 3PX 0.00016 0.00048 -0.00027 -0.00005 -0.00000 38 3PY -0.00250 0.00028 -0.00295 -0.00561 -0.00012 39 3PZ -0.00445 0.00039 -0.00324 -0.00033 -0.00001 40 4XX -0.00009 0.00000 -0.00009 -0.00013 0.00000 41 4YY 0.00003 0.00000 0.00003 0.00010 -0.00000 42 4ZZ 0.00012 -0.00001 0.00021 0.00013 0.00000 43 4XY -0.00000 -0.00004 -0.00001 -0.00001 0.00000 44 4XZ -0.00000 -0.00001 -0.00000 0.00000 -0.00000 45 4YZ 0.00013 -0.00002 0.00017 0.00009 -0.00000 46 4 C 1S 0.00001 0.00001 0.00000 0.00001 -0.00000 47 2S -0.00034 -0.00022 -0.00012 -0.00040 0.00000 48 2PX -0.00035 -0.00001 -0.00006 -0.00042 0.00000 49 2PY -0.00035 -0.00042 0.00005 -0.00020 -0.00000 50 2PZ -0.00021 -0.00024 0.00005 -0.00036 -0.00000 51 3S -0.00263 -0.00083 -0.00117 -0.00122 0.00001 52 3PX -0.00150 -0.00000 0.00018 -0.00142 0.00003 53 3PY -0.00135 -0.00086 -0.00000 0.00002 -0.00001 54 3PZ -0.00121 -0.00052 -0.00037 -0.00091 -0.00003 55 4XX 0.00002 0.00003 -0.00001 -0.00002 -0.00000 56 4YY 0.00001 0.00000 0.00001 0.00001 0.00000 57 4ZZ -0.00002 -0.00003 0.00001 0.00001 0.00000 58 4XY 0.00000 0.00001 -0.00001 -0.00000 -0.00000 59 4XZ -0.00001 0.00001 -0.00001 -0.00001 0.00000 60 4YZ 0.00001 -0.00002 0.00000 -0.00000 -0.00000 61 5 C 1S 0.00004 0.00012 -0.00000 0.00000 -0.00000 62 2S -0.00020 -0.00131 -0.00004 -0.00009 0.00000 63 2PX -0.00301 -0.00537 0.00038 -0.00051 0.00002 64 2PY -0.00010 -0.00004 0.00006 -0.00020 0.00001 65 2PZ -0.00017 -0.00046 -0.00004 -0.00023 0.00000 66 3S 0.00102 -0.00635 -0.00153 0.00066 0.00000 67 3PX -0.00598 -0.00628 0.00002 -0.00016 0.00013 68 3PY -0.00055 -0.00067 0.00125 -0.00025 0.00001 69 3PZ -0.00073 -0.00104 -0.00051 -0.00176 0.00003 70 4XX 0.00006 0.00040 0.00001 -0.00002 0.00000 71 4YY -0.00002 -0.00013 0.00001 -0.00001 -0.00000 72 4ZZ -0.00002 -0.00003 -0.00000 0.00001 -0.00000 73 4XY -0.00003 -0.00006 -0.00000 0.00000 0.00000 74 4XZ 0.00002 0.00006 -0.00000 -0.00001 0.00000 75 4YZ -0.00001 -0.00001 -0.00000 0.00001 0.00000 76 6 C 1S 0.00045 -0.00123 0.00001 -0.00007 -0.00016 77 2S -0.00206 0.01620 0.00063 0.00087 0.00332 78 2PX 0.02552 0.02377 0.00236 0.00244 0.00331 79 2PY 0.00134 0.00220 0.00083 -0.00009 0.00040 80 2PZ 0.00024 0.00198 0.00009 0.00444 0.00016 81 3S -0.02757 0.01822 -0.00146 0.00124 0.00478 82 3PX 0.00434 0.00394 0.00140 0.00236 0.00189 83 3PY 0.00011 0.00066 0.00473 -0.00025 0.00005 84 3PZ -0.00019 0.00150 0.00010 0.00248 0.00017 85 4XX 0.00415 0.00101 0.00041 0.00022 0.00001 86 4YY -0.00142 -0.00181 -0.00018 -0.00004 -0.00006 87 4ZZ -0.00058 -0.00040 -0.00005 -0.00012 -0.00007 88 4XY 0.00013 0.00005 0.00072 0.00001 -0.00002 89 4XZ 0.00007 0.00006 0.00001 0.00088 0.00001 90 4YZ 0.00001 0.00002 0.00003 0.00004 -0.00000 91 7 C 1S 0.00006 0.00008 0.00006 -0.00000 0.00000 92 2S -0.00089 -0.00109 -0.00107 -0.00002 -0.00000 93 2PX -0.00276 -0.00161 -0.00151 0.00011 -0.00000 94 2PY -0.00109 -0.00249 -0.00020 -0.00003 0.00000 95 2PZ 0.00002 -0.00010 -0.00011 -0.00010 -0.00000 96 3S -0.00236 -0.00502 -0.00579 -0.00009 -0.00016 97 3PX -0.00591 -0.00105 0.00040 0.00011 -0.00002 98 3PY -0.00170 -0.00530 0.00002 0.00002 -0.00012 99 3PZ 0.00021 -0.00017 -0.00011 -0.00030 -0.00001 100 4XX 0.00011 0.00025 0.00014 -0.00001 0.00000 101 4YY -0.00010 -0.00013 -0.00002 0.00000 0.00000 102 4ZZ 0.00001 -0.00003 -0.00008 0.00001 -0.00000 103 4XY 0.00002 0.00009 0.00004 -0.00000 0.00000 104 4XZ 0.00000 -0.00000 -0.00001 0.00003 0.00000 105 4YZ -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 106 8 C 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 107 2S 0.00000 0.00001 0.00000 -0.00000 0.00000 108 2PX 0.00005 0.00009 0.00003 -0.00001 0.00000 109 2PY 0.00002 0.00004 0.00001 -0.00000 0.00000 110 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 3S 0.00000 0.00026 0.00028 -0.00001 0.00000 112 3PX 0.00055 0.00086 0.00050 -0.00005 0.00000 113 3PY 0.00016 0.00025 0.00006 -0.00003 0.00000 114 3PZ 0.00001 0.00007 0.00004 0.00000 0.00000 115 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 116 4YY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 117 4ZZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 118 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 119 4XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 120 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 121 9 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 123 2PX -0.00000 0.00000 0.00000 -0.00000 0.00000 124 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 125 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 126 3S -0.00001 -0.00001 -0.00000 0.00000 -0.00000 127 3PX -0.00004 -0.00002 -0.00002 0.00000 -0.00000 128 3PY -0.00001 -0.00003 0.00001 0.00000 -0.00000 129 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4YY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 132 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 133 4XY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 134 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 135 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 136 10 C 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 137 2S 0.00000 0.00003 -0.00000 0.00000 -0.00000 138 2PX 0.00007 0.00023 -0.00000 0.00001 -0.00000 139 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 140 2PZ 0.00001 0.00002 -0.00000 -0.00000 -0.00000 141 3S 0.00011 0.00073 0.00000 0.00005 0.00000 142 3PX 0.00066 0.00167 -0.00000 0.00009 0.00000 143 3PY 0.00001 -0.00002 -0.00002 -0.00000 -0.00000 144 3PZ 0.00009 0.00024 -0.00000 0.00001 -0.00000 145 4XX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 146 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 147 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 148 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 149 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 150 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 151 11 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 152 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 153 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 154 2PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 155 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 156 3S -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 157 3PX -0.00001 -0.00004 -0.00000 -0.00001 0.00000 158 3PY -0.00000 -0.00001 0.00000 -0.00000 -0.00000 159 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 160 4XX 0.00000 0.00000 -0.00000 0.00000 -0.00000 161 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 162 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 163 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 164 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 165 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 166 12 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 167 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 168 13 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 169 2S 0.00000 0.00000 0.00000 0.00000 0.00000 170 14 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 171 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 172 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 173 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 174 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 175 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 176 3PX 0.00000 0.00000 0.00000 0.00000 -0.00000 177 3PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 178 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 179 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 180 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 181 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 182 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 183 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 184 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 185 15 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 186 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 187 16 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 188 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 189 17 C 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 190 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 191 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 192 2PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 193 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 194 3S -0.00000 0.00000 0.00000 -0.00000 -0.00000 195 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 196 3PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 197 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 198 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 199 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 200 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 201 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 202 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 203 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 18 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 205 2S 0.00000 0.00000 0.00000 0.00000 0.00000 206 2PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 207 2PY 0.00000 0.00000 0.00000 -0.00000 0.00000 208 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 209 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 210 3PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 211 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 213 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 214 4YY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 215 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 216 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 217 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 218 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 219 19 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 220 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 221 20 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 222 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 223 21 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 224 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 225 22 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 226 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 227 23 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 228 2S 0.00000 -0.00003 -0.00000 0.00008 0.00000 229 24 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 230 2S -0.00000 -0.00002 -0.00000 -0.00000 0.00000 231 25 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 232 2S -0.00003 -0.00006 -0.00002 -0.00000 -0.00000 233 26 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 234 2S -0.00000 -0.00004 -0.00002 0.00003 -0.00000 235 27 H 1S -0.00048 -0.00014 -0.00023 0.00013 -0.00000 236 2S -0.00137 -0.00106 0.00076 0.00084 -0.00003 237 28 Br 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 238 2S 0.00000 0.00001 0.00001 0.00002 -0.00000 239 3S -0.00001 -0.00002 -0.00002 -0.00003 0.00000 240 4S -0.00002 -0.00006 -0.00007 -0.00010 0.00000 241 5S -0.00018 -0.00001 -0.00032 -0.00025 -0.00000 242 6S -0.00025 0.00038 0.00065 -0.00076 -0.00001 243 7PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 244 7PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 245 7PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 246 8PX 0.00002 0.00000 0.00004 -0.00004 0.00000 247 8PY 0.00003 0.00001 0.00004 0.00007 0.00000 248 8PZ 0.00001 0.00000 0.00004 0.00000 0.00000 249 9PX -0.00057 -0.00005 -0.00077 0.00098 -0.00000 250 9PY -0.00065 -0.00020 -0.00069 -0.00157 -0.00000 251 9PZ 0.00009 0.00010 -0.00091 0.00012 -0.00000 252 10PX -0.00278 -0.00006 -0.00276 0.00302 -0.00005 253 10PY -0.00308 -0.00016 -0.00175 -0.00561 -0.00012 254 10PZ 0.00068 0.00062 -0.00220 0.00016 -0.00003 255 11XX 0.00001 0.00002 0.00003 0.00005 -0.00000 256 11YY 0.00002 0.00003 0.00003 0.00007 -0.00000 257 11ZZ 0.00001 0.00003 0.00005 0.00004 -0.00000 258 11XY -0.00000 -0.00000 -0.00000 -0.00001 0.00000 259 11XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 260 11YZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 261 12XX 0.00014 0.00005 0.00019 0.00015 0.00000 262 12YY -0.00008 0.00002 -0.00008 0.00019 -0.00000 263 12ZZ -0.00004 0.00001 -0.00037 0.00007 -0.00000 264 12XY 0.00002 0.00004 0.00010 0.00017 0.00000 265 12XZ -0.00005 -0.00000 0.00014 0.00009 0.00000 266 12YZ -0.00012 -0.00014 -0.00017 0.00002 -0.00000 267 29 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 268 2S -0.00005 -0.00012 -0.00007 -0.00011 -0.00000 269 2PX -0.00003 0.00023 -0.00004 -0.00028 0.00000 270 2PY -0.00010 -0.00022 -0.00006 -0.00010 -0.00000 271 2PZ 0.00003 -0.00005 0.00004 0.00003 -0.00000 272 3S -0.00024 -0.00051 -0.00022 -0.00037 -0.00001 273 3PX -0.00008 0.00055 -0.00019 -0.00070 -0.00001 274 3PY -0.00029 0.00001 0.00008 -0.00012 -0.00001 275 3PZ 0.00010 -0.00011 0.00013 0.00008 -0.00000 276 4XX 0.00000 0.00003 0.00001 0.00000 0.00000 277 4YY -0.00000 -0.00001 -0.00000 0.00000 0.00000 278 4ZZ -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 279 4XY -0.00000 -0.00002 0.00001 0.00001 0.00000 280 4XZ -0.00001 -0.00001 0.00000 -0.00000 0.00000 281 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 282 30 H 1S 0.00002 0.00027 -0.00001 -0.00022 -0.00000 283 2S 0.00063 0.00168 0.00039 -0.00042 -0.00000 284 31 H 1S -0.00003 -0.00003 -0.00002 -0.00001 -0.00000 285 2S -0.00033 -0.00030 -0.00010 0.00008 -0.00000 286 32 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 287 2S 0.00000 -0.00003 0.00006 0.00004 0.00000 288 33 H 1S -0.00003 -0.00002 -0.00000 0.00004 0.00000 289 2S -0.00034 -0.00003 -0.00001 0.00026 0.00000 290 34 H 1S 0.00001 0.00001 -0.00001 0.00000 -0.00000 291 2S 0.00015 0.00013 -0.00009 0.00005 -0.00000 292 35 H 1S -0.00017 0.00003 -0.00033 0.00005 0.00000 293 2S -0.00130 0.00012 -0.00105 0.00001 0.00000 294 36 H 1S 0.00008 0.00001 0.00011 0.00013 0.00000 295 2S 0.00105 0.00009 0.00137 0.00133 -0.00000 296 37 H 1S -0.00266 -0.00128 -0.00016 -0.00440 -0.00000 297 2S -0.00823 -0.00283 -0.00018 -0.01319 -0.00010 298 38 H 1S -0.00399 0.00018 -0.00031 -0.00094 0.00007 299 2S -0.01167 -0.00208 -0.00164 -0.00204 0.00069 300 39 H 1S 0.03952 -0.00013 0.02006 0.04551 -0.00094 301 2S 0.01239 -0.00014 0.01741 0.03757 -0.00213 302 40 H 1S 0.04097 0.01323 0.04868 0.00242 -0.00079 303 2S 0.01593 0.01109 0.04187 0.00206 -0.00086 11 12 13 14 15 11 4YY 0.00112 12 4ZZ -0.00004 0.00137 13 4XY -0.00000 -0.00000 0.00098 14 4XZ -0.00000 0.00000 0.00000 0.00047 15 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00125 16 2 C 1S -0.00000 -0.00003 -0.00001 -0.00003 -0.00004 17 2S 0.00002 0.00063 0.00026 0.00046 0.00085 18 2PX 0.00016 0.00054 0.00000 0.00001 0.00057 19 2PY -0.00026 0.00117 0.00000 0.00053 -0.00012 20 2PZ 0.00028 -0.00071 0.00058 0.00013 0.00072 21 3S -0.00003 0.00107 0.00015 0.00026 0.00047 22 3PX 0.00018 0.00053 0.00009 0.00011 0.00014 23 3PY -0.00058 0.00107 0.00000 0.00015 0.00007 24 3PZ 0.00048 -0.00073 0.00015 0.00001 0.00007 25 4XX -0.00000 -0.00008 0.00000 -0.00000 0.00001 26 4YY 0.00001 -0.00002 -0.00001 -0.00003 0.00001 27 4ZZ -0.00004 0.00008 -0.00003 0.00003 -0.00008 28 4XY -0.00001 -0.00003 0.00000 0.00000 0.00000 29 4XZ -0.00004 0.00003 0.00000 0.00000 -0.00001 30 4YZ 0.00002 -0.00008 -0.00000 -0.00004 0.00004 31 3 C 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 32 2S 0.00001 -0.00000 0.00000 0.00000 0.00001 33 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 34 2PY 0.00004 -0.00000 0.00000 0.00000 0.00005 35 2PZ 0.00002 -0.00000 0.00000 0.00000 0.00001 36 3S 0.00018 -0.00006 0.00001 0.00001 0.00006 37 3PX 0.00002 -0.00000 -0.00002 -0.00002 0.00001 38 3PY 0.00032 -0.00006 0.00001 0.00001 0.00014 39 3PZ 0.00016 -0.00003 0.00001 0.00000 0.00004 40 4XX 0.00000 -0.00000 0.00000 0.00000 -0.00000 41 4YY -0.00000 0.00000 0.00000 -0.00000 0.00000 42 4ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 43 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 44 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 45 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 46 4 C 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 47 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 48 2PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 49 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 50 2PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 51 3S 0.00002 -0.00001 -0.00001 -0.00000 0.00000 52 3PX -0.00002 -0.00001 -0.00000 -0.00000 -0.00002 53 3PY 0.00001 0.00001 -0.00000 0.00000 0.00000 54 3PZ 0.00001 0.00002 -0.00000 -0.00000 -0.00000 55 4XX 0.00000 -0.00000 -0.00000 0.00000 0.00000 56 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 57 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 60 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 -0.00000 0.00002 0.00001 0.00000 64 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 66 3S 0.00006 -0.00004 0.00003 0.00000 0.00001 67 3PX 0.00004 -0.00009 0.00008 0.00004 0.00001 68 3PY 0.00002 -0.00001 -0.00002 0.00001 -0.00000 69 3PZ 0.00003 -0.00003 0.00002 -0.00000 -0.00001 70 4XX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 73 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 74 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 75 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 -0.00002 -0.00001 0.00000 77 2S -0.00036 -0.00040 0.00027 0.00011 -0.00000 78 2PX -0.00087 -0.00097 0.00076 0.00025 0.00004 79 2PY 0.00003 -0.00002 0.00067 0.00007 -0.00002 80 2PZ -0.00002 0.00000 0.00007 0.00061 -0.00003 81 3S -0.00173 -0.00122 0.00018 0.00008 0.00001 82 3PX -0.00090 -0.00181 0.00013 0.00001 -0.00000 83 3PY -0.00009 0.00012 0.00033 0.00000 -0.00001 84 3PZ -0.00005 -0.00003 0.00002 0.00049 -0.00001 85 4XX -0.00000 -0.00004 -0.00004 0.00002 -0.00001 86 4YY 0.00001 0.00001 -0.00000 -0.00001 -0.00000 87 4ZZ 0.00000 0.00002 -0.00001 0.00000 -0.00000 88 4XY 0.00001 0.00001 -0.00009 -0.00001 -0.00001 89 4XZ -0.00000 -0.00000 -0.00001 -0.00003 -0.00002 90 4YZ 0.00000 -0.00000 -0.00000 -0.00001 0.00001 91 7 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 92 2S 0.00000 0.00000 0.00001 0.00000 0.00000 93 2PX 0.00001 0.00000 0.00003 0.00000 0.00000 94 2PY 0.00000 0.00000 0.00003 0.00000 0.00000 95 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 96 3S 0.00002 0.00010 0.00007 0.00001 0.00000 97 3PX 0.00013 -0.00003 0.00007 0.00000 0.00001 98 3PY 0.00009 0.00002 0.00006 0.00001 0.00000 99 3PZ 0.00001 0.00000 -0.00000 0.00001 0.00001 100 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 101 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 102 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 103 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 104 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 106 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 107 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 108 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 109 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 110 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 111 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 112 3PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 113 3PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 114 3PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 115 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 116 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 117 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 120 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 121 9 C 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 122 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 123 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 124 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 125 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 126 3S -0.00000 0.00000 0.00000 0.00000 0.00000 127 3PX -0.00000 0.00000 0.00000 -0.00000 0.00000 128 3PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 129 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 130 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 131 4YY 0.00000 0.00000 0.00000 -0.00000 -0.00000 132 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 133 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 134 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 135 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 136 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 137 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 138 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 139 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 140 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 141 3S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 142 3PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 143 3PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 144 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 145 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 146 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 147 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 148 4XY -0.00000 0.00000 -0.00000 0.00000 -0.00000 149 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 151 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 152 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 153 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 154 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 156 3S 0.00000 0.00000 0.00000 0.00000 0.00000 157 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 158 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 160 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 161 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 162 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 163 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 164 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 165 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 166 12 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 167 2S 0.00000 0.00000 0.00000 0.00000 0.00000 168 13 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 169 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 170 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 171 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 172 2PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 173 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 174 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 175 3S -0.00000 -0.00000 -0.00000 0.00000 0.00000 176 3PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 177 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 178 3PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 179 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 180 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 181 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 186 2S 0.00000 0.00000 0.00000 0.00000 0.00000 187 16 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 188 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 189 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 191 2PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 192 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 193 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 194 3S 0.00000 -0.00000 0.00000 -0.00000 0.00000 195 3PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 196 3PY -0.00000 0.00000 0.00000 0.00000 -0.00000 197 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 198 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 199 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 200 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 205 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 206 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 207 2PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 208 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 209 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 210 3PX 0.00000 0.00000 0.00000 -0.00000 0.00000 211 3PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 212 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 213 4XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 214 4YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 215 4ZZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 216 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 217 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 218 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 219 19 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 220 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 221 20 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 222 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 223 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 224 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 225 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 226 2S -0.00000 0.00000 0.00000 0.00000 0.00000 227 23 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 228 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 229 24 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 230 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 231 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 0.00000 0.00000 0.00000 0.00000 233 26 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 234 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 235 27 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 236 2S 0.00004 0.00001 -0.00004 -0.00000 0.00001 237 28 Br 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 238 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 239 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 240 4S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 241 5S 0.00000 0.00000 -0.00000 -0.00000 0.00000 242 6S -0.00001 0.00001 -0.00001 -0.00001 0.00000 243 7PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 244 7PY 0.00000 0.00000 -0.00000 0.00000 0.00000 245 7PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 246 8PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 247 8PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 248 8PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 249 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 250 9PY 0.00000 0.00000 0.00000 0.00000 0.00001 251 9PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 252 10PX 0.00002 0.00005 0.00001 0.00000 0.00006 253 10PY 0.00001 0.00015 0.00000 0.00006 0.00010 254 10PZ 0.00001 0.00003 -0.00001 0.00001 0.00004 255 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 11ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 258 11XY 0.00000 0.00000 0.00000 -0.00000 0.00000 259 11XZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 260 11YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 261 12XX 0.00000 -0.00000 0.00000 0.00000 0.00000 262 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 263 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 264 12XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 265 12XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 266 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 267 29 C 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 268 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 269 2PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 270 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 271 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 272 3S 0.00001 -0.00000 -0.00000 0.00000 -0.00000 273 3PX 0.00002 -0.00001 0.00001 0.00001 -0.00000 274 3PY 0.00000 0.00001 -0.00000 0.00001 0.00000 275 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 276 4XX -0.00000 0.00000 0.00000 -0.00000 0.00000 277 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 278 4ZZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 279 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 280 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 281 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 282 30 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 283 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 284 31 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 285 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 286 32 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 287 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 288 33 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 289 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 290 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 291 2S 0.00000 0.00000 0.00000 0.00000 0.00000 292 35 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 293 2S -0.00003 0.00002 0.00000 -0.00000 -0.00002 294 36 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 295 2S -0.00001 0.00000 0.00000 0.00000 -0.00000 296 37 H 1S -0.00001 0.00011 -0.00000 0.00003 -0.00000 297 2S -0.00027 0.00086 -0.00000 0.00008 -0.00003 298 38 H 1S 0.00000 -0.00002 0.00005 0.00002 0.00000 299 2S -0.00002 -0.00036 0.00015 0.00003 -0.00001 300 39 H 1S -0.00037 0.00358 -0.00001 -0.00003 0.00349 301 2S -0.00071 0.00373 -0.00000 -0.00001 0.00067 302 40 H 1S 0.00384 -0.00085 0.00275 0.00025 0.00051 303 2S 0.00357 -0.00178 0.00051 0.00005 0.00011 16 17 18 19 20 16 2 C 1S 2.05126 17 2S -0.01170 0.30452 18 2PX 0.00000 0.00000 0.40619 19 2PY 0.00000 0.00000 -0.00000 0.39400 20 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.38350 21 3S -0.03461 0.23107 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.10512 0.00000 -0.00000 23 3PY 0.00000 0.00000 -0.00000 0.10084 -0.00000 24 3PZ 0.00000 0.00000 -0.00000 -0.00000 0.09286 25 4XX -0.00140 -0.00053 0.00000 0.00000 0.00000 26 4YY -0.00125 -0.00330 0.00000 0.00000 0.00000 27 4ZZ -0.00129 -0.00255 0.00000 0.00000 0.00000 28 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00000 -0.00015 -0.00040 -0.00075 -0.00007 32 2S -0.00015 0.00391 0.00798 0.01537 0.00135 33 2PX -0.00037 0.00772 0.00338 0.02080 0.00191 34 2PY -0.00081 0.01636 0.02138 0.02713 0.00373 35 2PZ -0.00008 0.00150 0.00206 0.00375 -0.00040 36 3S 0.00037 -0.00037 0.00999 0.01727 0.00108 37 3PX -0.00040 0.00583 -0.00189 0.01211 0.00112 38 3PY -0.00104 0.01341 0.01123 0.00687 0.00199 39 3PZ -0.00008 0.00110 0.00115 0.00218 -0.00096 40 4XX -0.00001 0.00009 -0.00043 0.00043 -0.00003 41 4YY -0.00004 0.00084 0.00122 -0.00045 0.00031 42 4ZZ 0.00000 -0.00024 -0.00014 -0.00042 0.00002 43 4XY -0.00007 0.00122 0.00019 0.00120 0.00034 44 4XZ -0.00001 0.00012 -0.00001 0.00032 0.00016 45 4YZ -0.00001 0.00023 0.00032 0.00035 0.00041 46 4 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00003 -0.00013 -0.00001 -0.00001 48 2PX 0.00000 -0.00014 -0.00044 -0.00009 -0.00006 49 2PY 0.00000 -0.00002 -0.00002 -0.00000 -0.00001 50 2PZ 0.00000 -0.00001 -0.00004 -0.00001 -0.00000 51 3S 0.00002 -0.00019 -0.00226 0.00010 -0.00022 52 3PX 0.00011 -0.00177 -0.00467 -0.00075 -0.00041 53 3PY 0.00002 -0.00026 0.00049 0.00006 -0.00001 54 3PZ 0.00000 0.00000 -0.00030 -0.00014 -0.00027 55 4XX -0.00000 0.00001 0.00003 0.00001 0.00000 56 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 57 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 58 4XY -0.00000 0.00001 0.00003 0.00000 0.00000 59 4XZ -0.00000 0.00000 0.00001 0.00000 -0.00000 60 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 61 5 C 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 62 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 63 2PX 0.00000 -0.00001 -0.00002 0.00000 -0.00000 64 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 65 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 66 3S 0.00000 -0.00012 -0.00058 0.00000 0.00006 67 3PX 0.00001 -0.00060 -0.00107 -0.00000 0.00009 68 3PY 0.00000 0.00000 0.00000 -0.00002 0.00000 69 3PZ 0.00000 -0.00005 -0.00017 0.00000 0.00006 70 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 71 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 72 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 73 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 74 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 75 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 76 6 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00003 -0.00012 -0.00004 -0.00002 78 2PX 0.00000 -0.00011 -0.00035 -0.00011 -0.00003 79 2PY 0.00000 -0.00004 -0.00011 -0.00002 -0.00006 80 2PZ 0.00000 -0.00001 0.00007 0.00001 0.00002 81 3S 0.00003 -0.00043 -0.00311 -0.00053 0.00004 82 3PX 0.00005 -0.00061 -0.00419 -0.00037 0.00125 83 3PY 0.00000 0.00026 0.00079 0.00001 -0.00069 84 3PZ 0.00002 -0.00015 0.00125 -0.00028 -0.00008 85 4XX -0.00000 0.00000 0.00002 0.00001 0.00001 86 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 88 4XY -0.00000 0.00001 0.00002 0.00001 0.00001 89 4XZ -0.00000 0.00001 0.00002 0.00001 0.00001 90 4YZ -0.00000 0.00000 0.00001 0.00000 0.00000 91 7 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 92 2S -0.00000 0.00000 0.00000 0.00000 0.00000 93 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 94 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 96 3S -0.00000 0.00002 0.00006 0.00005 0.00002 97 3PX -0.00000 0.00001 0.00004 -0.00004 -0.00000 98 3PY -0.00000 0.00003 0.00009 0.00002 0.00003 99 3PZ -0.00000 0.00000 0.00000 -0.00001 -0.00000 100 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 101 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 102 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 103 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 104 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 105 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 106 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 108 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 109 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 110 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 111 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 112 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 113 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 114 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 115 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 116 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 117 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 118 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 120 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 121 9 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 122 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 123 2PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 124 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 125 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 126 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 127 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 128 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 130 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 131 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 132 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 133 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 134 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 135 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 136 10 C 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 137 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 138 2PX -0.00000 0.00000 0.00000 -0.00000 0.00000 139 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 140 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 141 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 142 3PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 143 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 144 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 145 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 146 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 147 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 148 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 149 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 150 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 151 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 152 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 153 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 154 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 155 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 156 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 157 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 158 3PY -0.00000 0.00000 0.00000 -0.00000 0.00000 159 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 160 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 161 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 162 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 163 4XY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 164 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 165 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 166 12 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 167 2S -0.00000 0.00000 0.00000 0.00000 0.00000 168 13 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 169 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 170 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 171 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 172 2PX 0.00000 0.00000 0.00000 -0.00000 0.00000 173 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 175 3S -0.00000 0.00000 0.00000 -0.00000 0.00000 176 3PX -0.00000 0.00000 0.00000 -0.00000 0.00000 177 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 178 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 179 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 180 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 181 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 183 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 184 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 186 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 187 16 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 188 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 189 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 191 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 192 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 193 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 194 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 195 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 196 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 197 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 198 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 199 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 200 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 205 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 206 2PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 207 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 209 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 210 3PX -0.00000 0.00000 0.00000 -0.00000 0.00000 211 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 212 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 213 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 214 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 215 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 216 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 217 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 218 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 219 19 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 220 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 221 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 223 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 224 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 225 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 226 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 227 23 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 228 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 229 24 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 230 2S -0.00000 0.00000 0.00000 0.00000 0.00000 231 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S -0.00000 0.00000 0.00000 0.00000 0.00000 233 26 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 234 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 235 27 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 236 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 237 28 Br 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 238 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 239 3S 0.00000 0.00000 0.00000 0.00000 0.00000 240 4S -0.00000 0.00000 0.00000 0.00000 -0.00000 241 5S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 242 6S -0.00000 -0.00000 -0.00001 0.00007 0.00002 243 7PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 244 7PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 245 7PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 246 8PX -0.00000 0.00000 0.00000 0.00000 0.00000 247 8PY -0.00000 0.00000 0.00000 0.00000 -0.00000 248 8PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 249 9PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 250 9PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 251 9PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 252 10PX 0.00000 -0.00005 -0.00000 -0.00016 -0.00002 253 10PY 0.00001 -0.00021 -0.00020 -0.00032 0.00007 254 10PZ 0.00000 -0.00001 -0.00003 -0.00002 -0.00004 255 11XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 256 11YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 257 11ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 258 11XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 259 11XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 260 11YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 261 12XX 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 262 12YY 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 263 12ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 264 12XY -0.00000 0.00000 0.00000 0.00000 0.00000 265 12XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 266 12YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 267 29 C 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 268 2S -0.00000 0.00000 0.00000 0.00000 0.00000 269 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 270 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 271 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 272 3S 0.00000 0.00000 -0.00001 -0.00000 0.00001 273 3PX -0.00000 0.00002 0.00001 0.00000 -0.00001 274 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 275 3PZ 0.00000 0.00000 -0.00000 -0.00001 0.00000 276 4XX 0.00000 -0.00000 0.00000 0.00000 -0.00000 277 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 278 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 279 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 280 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 281 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 282 30 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 283 2S -0.00000 -0.00000 0.00001 -0.00001 -0.00001 284 31 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 285 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 286 32 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 287 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 288 33 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 289 2S 0.00000 -0.00010 -0.00017 -0.00004 0.00001 290 34 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 291 2S -0.00000 0.00008 0.00021 0.00010 0.00003 292 35 H 1S 0.00000 -0.00014 -0.00006 -0.00046 -0.00003 293 2S 0.00013 -0.00218 -0.00096 -0.00622 -0.00053 294 36 H 1S 0.00000 -0.00014 -0.00002 -0.00026 -0.00015 295 2S 0.00014 -0.00205 -0.00016 -0.00355 -0.00232 296 37 H 1S -0.00170 0.02715 0.00070 0.03693 0.06023 297 2S -0.00048 0.00884 0.00037 0.02199 0.03577 298 38 H 1S -0.00176 0.02885 0.08301 0.00825 0.00758 299 2S -0.00079 0.01209 0.04704 0.00458 0.00437 300 39 H 1S 0.00000 -0.00011 -0.00001 0.00001 -0.00037 301 2S 0.00010 -0.00171 -0.00027 0.00020 -0.00615 302 40 H 1S 0.00000 -0.00010 0.00000 -0.00031 -0.00015 303 2S 0.00009 -0.00153 0.00002 -0.00469 -0.00195 21 22 23 24 25 21 3S 0.29621 22 3PX 0.00000 0.08675 23 3PY 0.00000 -0.00000 0.08343 24 3PZ 0.00000 -0.00000 -0.00000 0.07211 25 4XX 0.00025 0.00000 0.00000 0.00000 0.00155 26 4YY -0.00240 0.00000 0.00000 0.00000 -0.00015 27 4ZZ -0.00154 0.00000 0.00000 0.00000 -0.00018 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 30 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00030 -0.00051 -0.00093 -0.00004 -0.00000 32 2S 0.00096 0.00662 0.01230 0.00091 0.00006 33 2PX 0.00775 -0.00264 0.01384 0.00121 -0.00036 34 2PY 0.02350 0.01303 0.00660 0.00182 0.00065 35 2PZ 0.00216 0.00121 0.00165 0.00071 -0.00001 36 3S -0.01531 0.00771 0.01321 0.00043 0.00005 37 3PX 0.00514 -0.00474 0.01036 0.00088 -0.00057 38 3PY 0.01994 0.00845 -0.00255 0.00117 0.00072 39 3PZ 0.00166 0.00085 0.00114 0.00051 -0.00000 40 4XX 0.00062 -0.00072 0.00050 -0.00005 0.00003 41 4YY 0.00133 0.00101 -0.00038 0.00023 -0.00010 42 4ZZ -0.00118 -0.00028 -0.00065 -0.00011 -0.00002 43 4XY 0.00077 -0.00005 0.00014 0.00008 -0.00001 44 4XZ 0.00008 0.00000 0.00009 0.00015 0.00001 45 4YZ 0.00011 0.00007 0.00005 0.00024 0.00001 46 4 C 1S 0.00002 0.00010 0.00001 0.00002 -0.00000 47 2S -0.00020 -0.00139 -0.00021 -0.00026 0.00001 48 2PX -0.00191 -0.00306 -0.00135 -0.00058 0.00008 49 2PY -0.00067 -0.00005 0.00017 -0.00013 -0.00000 50 2PZ -0.00006 -0.00047 -0.00020 -0.00017 0.00001 51 3S 0.00110 -0.00473 0.00027 -0.00092 0.00025 52 3PX -0.00485 -0.00681 -0.00231 -0.00089 0.00066 53 3PY -0.00174 0.00092 0.00071 -0.00019 -0.00003 54 3PZ 0.00025 -0.00062 -0.00045 -0.00088 0.00002 55 4XX 0.00008 0.00017 0.00008 0.00003 0.00000 56 4YY 0.00003 0.00001 0.00000 0.00002 -0.00000 57 4ZZ -0.00006 -0.00004 -0.00002 -0.00001 -0.00000 58 4XY 0.00009 0.00013 -0.00003 0.00002 -0.00000 59 4XZ 0.00002 0.00003 0.00001 -0.00000 0.00000 60 4YZ 0.00001 0.00001 -0.00000 -0.00001 -0.00000 61 5 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 62 2S -0.00014 -0.00023 0.00000 -0.00003 -0.00000 63 2PX -0.00045 -0.00054 0.00000 -0.00011 -0.00000 64 2PY -0.00000 -0.00000 -0.00006 0.00000 -0.00000 65 2PZ 0.00001 -0.00004 0.00000 0.00002 0.00000 66 3S -0.00114 -0.00255 0.00000 0.00021 0.00001 67 3PX -0.00349 -0.00309 0.00000 0.00008 0.00006 68 3PY -0.00000 0.00000 -0.00002 -0.00000 -0.00000 69 3PZ -0.00001 -0.00033 0.00000 0.00035 -0.00000 70 4XX -0.00001 -0.00005 0.00000 -0.00000 0.00000 71 4YY 0.00001 0.00001 -0.00000 -0.00000 -0.00000 72 4ZZ -0.00000 0.00001 0.00000 0.00000 -0.00000 73 4XY 0.00000 -0.00000 -0.00001 0.00000 0.00000 74 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 76 6 C 1S 0.00003 0.00013 0.00003 0.00001 -0.00000 77 2S -0.00024 -0.00184 -0.00046 -0.00025 0.00001 78 2PX -0.00140 -0.00241 -0.00098 -0.00051 0.00005 79 2PY -0.00043 -0.00050 -0.00004 -0.00072 0.00001 80 2PZ -0.00034 0.00054 -0.00014 -0.00002 0.00000 81 3S -0.00009 -0.00719 -0.00173 -0.00025 0.00027 82 3PX -0.00305 -0.00621 -0.00057 0.00186 0.00050 83 3PY 0.00115 0.00143 -0.00010 -0.00147 -0.00007 84 3PZ -0.00073 0.00229 -0.00076 -0.00006 -0.00001 85 4XX 0.00001 0.00008 -0.00001 0.00002 0.00000 86 4YY -0.00001 0.00002 0.00003 0.00004 -0.00000 87 4ZZ -0.00000 0.00002 0.00002 -0.00002 -0.00000 88 4XY 0.00003 0.00006 0.00001 0.00004 -0.00000 89 4XZ 0.00003 0.00008 0.00004 -0.00001 -0.00000 90 4YZ 0.00002 0.00003 0.00000 -0.00000 -0.00000 91 7 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 92 2S 0.00001 0.00002 0.00003 0.00002 -0.00000 93 2PX 0.00004 0.00002 0.00004 0.00003 -0.00000 94 2PY 0.00002 0.00003 0.00004 0.00004 -0.00000 95 2PZ -0.00001 -0.00002 -0.00000 -0.00000 -0.00000 96 3S 0.00031 0.00049 0.00057 0.00021 -0.00000 97 3PX 0.00026 0.00020 -0.00021 0.00011 -0.00000 98 3PY 0.00027 0.00044 0.00018 0.00028 -0.00000 99 3PZ -0.00011 -0.00014 -0.00006 -0.00001 -0.00000 100 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 101 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 102 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 103 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 104 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 106 8 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 107 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 108 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 109 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 110 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 111 3S -0.00001 -0.00001 -0.00001 -0.00000 0.00000 112 3PX -0.00002 -0.00002 -0.00002 -0.00001 0.00000 113 3PY -0.00000 -0.00001 -0.00000 -0.00000 0.00000 114 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 115 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 116 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 117 4ZZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 118 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 119 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 120 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 121 9 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 122 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 123 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 124 2PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 125 2PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 126 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 127 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 128 3PY -0.00000 0.00000 0.00000 0.00000 -0.00000 129 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 130 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 131 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 132 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 133 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 134 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 135 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 136 10 C 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 137 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 138 2PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 139 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 141 3S -0.00002 -0.00008 -0.00000 -0.00000 0.00000 142 3PX 0.00004 -0.00004 -0.00002 0.00000 0.00000 143 3PY -0.00001 -0.00001 -0.00000 0.00000 0.00000 144 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 145 4XX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 146 4YY -0.00000 -0.00000 0.00000 0.00000 -0.00000 147 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 148 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 149 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 150 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 151 11 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 152 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 153 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 154 2PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 155 2PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 156 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 157 3PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 158 3PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 159 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 160 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 161 4YY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 162 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 163 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 164 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 165 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 166 12 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 167 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 168 13 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 169 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 170 14 C 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 171 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 172 2PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 173 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 174 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 175 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 176 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 177 3PY 0.00000 0.00000 0.00000 0.00000 -0.00000 178 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 179 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 180 4YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 181 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 182 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 183 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 184 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 185 15 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 186 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 187 16 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 188 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 189 17 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 190 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 191 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 192 2PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 193 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 194 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 195 3PX -0.00000 -0.00000 0.00000 0.00000 0.00000 196 3PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 197 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 198 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 199 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 200 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 201 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 202 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 203 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 204 18 C 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 205 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 206 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 207 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 209 3S -0.00000 -0.00000 -0.00000 0.00000 0.00000 210 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 211 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 212 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 213 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 214 4YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 215 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 216 4XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 217 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 218 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 219 19 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 220 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 221 20 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 222 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 223 21 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 224 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 225 22 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 226 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 227 23 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 228 2S -0.00001 0.00000 0.00000 -0.00001 -0.00000 229 24 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 230 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 231 25 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 232 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 233 26 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 234 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 235 27 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 236 2S 0.00009 0.00008 -0.00002 0.00003 -0.00000 237 28 Br 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 238 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 239 3S 0.00000 -0.00001 0.00001 0.00000 0.00000 240 4S 0.00000 -0.00002 0.00002 0.00000 0.00000 241 5S -0.00002 -0.00003 -0.00009 -0.00002 0.00000 242 6S 0.00007 0.00001 0.00065 0.00009 -0.00000 243 7PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 244 7PY -0.00000 -0.00000 0.00000 0.00000 0.00000 245 7PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 246 8PX 0.00000 0.00000 0.00001 0.00000 -0.00000 247 8PY 0.00000 0.00000 0.00001 -0.00000 -0.00000 248 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 249 9PX -0.00022 -0.00001 -0.00031 -0.00004 0.00000 250 9PY -0.00015 0.00004 -0.00027 0.00001 0.00000 251 9PZ -0.00004 -0.00005 -0.00003 -0.00004 0.00000 252 10PX -0.00200 -0.00004 -0.00158 -0.00020 0.00000 253 10PY -0.00121 0.00017 -0.00097 0.00017 0.00001 254 10PZ -0.00033 -0.00029 -0.00015 -0.00045 0.00000 255 11XX -0.00000 0.00001 -0.00001 -0.00000 -0.00000 256 11YY -0.00000 0.00001 -0.00001 -0.00000 -0.00000 257 11ZZ -0.00000 0.00001 -0.00001 -0.00000 -0.00000 258 11XY 0.00000 -0.00000 0.00000 0.00000 -0.00000 259 11XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 260 11YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 261 12XX -0.00001 0.00003 -0.00015 -0.00002 0.00000 262 12YY -0.00005 0.00010 -0.00018 -0.00004 0.00000 263 12ZZ -0.00002 0.00001 -0.00007 -0.00000 0.00000 264 12XY -0.00000 0.00001 0.00005 0.00001 -0.00000 265 12XZ -0.00000 0.00000 -0.00001 0.00001 0.00000 266 12YZ -0.00001 -0.00000 -0.00001 0.00001 0.00000 267 29 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 268 2S -0.00001 -0.00000 0.00000 0.00001 -0.00000 269 2PX -0.00003 -0.00009 0.00000 0.00000 -0.00000 270 2PY -0.00000 0.00001 0.00000 0.00001 -0.00000 271 2PZ -0.00002 -0.00001 0.00000 0.00001 -0.00000 272 3S -0.00014 -0.00013 0.00000 0.00011 -0.00000 273 3PX -0.00018 -0.00043 0.00005 -0.00009 -0.00000 274 3PY -0.00005 0.00004 0.00001 0.00003 -0.00000 275 3PZ -0.00020 -0.00010 -0.00006 0.00004 -0.00000 276 4XX -0.00000 -0.00000 0.00000 -0.00000 0.00000 277 4YY 0.00000 0.00000 0.00000 -0.00000 -0.00000 278 4ZZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 279 4XY -0.00000 0.00000 0.00000 -0.00000 -0.00000 280 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 281 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 282 30 H 1S -0.00002 -0.00007 0.00001 -0.00001 0.00000 283 2S -0.00016 -0.00036 -0.00006 -0.00005 0.00000 284 31 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 285 2S 0.00003 0.00003 -0.00000 -0.00000 -0.00000 286 32 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 287 2S 0.00001 0.00001 0.00001 -0.00002 -0.00000 288 33 H 1S -0.00019 0.00002 -0.00001 -0.00031 -0.00000 289 2S -0.00134 0.00010 -0.00014 -0.00066 -0.00004 290 34 H 1S 0.00008 0.00010 0.00010 0.00002 -0.00000 291 2S 0.00105 0.00135 0.00095 0.00025 -0.00001 292 35 H 1S -0.00261 -0.00063 -0.00442 0.00003 -0.00001 293 2S -0.00729 -0.00167 -0.01323 -0.00061 -0.00026 294 36 H 1S -0.00314 -0.00028 -0.00146 -0.00030 -0.00001 295 2S -0.00936 -0.00050 -0.00504 -0.00243 -0.00019 296 37 H 1S 0.04220 -0.00005 0.02649 0.03764 -0.00098 297 2S 0.01945 -0.00010 0.02489 0.03412 -0.00259 298 38 H 1S 0.03761 0.05437 0.00494 0.00544 0.00537 299 2S 0.01598 0.04847 0.00421 0.00492 0.00477 300 39 H 1S -0.00166 -0.00017 0.00015 -0.00311 -0.00001 301 2S -0.00461 -0.00036 0.00059 -0.01090 -0.00022 302 40 H 1S -0.00154 0.00001 -0.00256 -0.00078 -0.00000 303 2S -0.00385 0.00007 -0.00892 -0.00244 -0.00005 26 27 28 29 30 26 4YY 0.00086 27 4ZZ 0.00006 0.00100 28 4XY -0.00000 0.00000 0.00080 29 4XZ 0.00000 0.00000 0.00000 0.00063 30 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00163 31 3 C 1S -0.00004 0.00000 -0.00006 -0.00001 -0.00001 32 2S 0.00084 -0.00024 0.00114 0.00011 0.00023 33 2PX 0.00126 -0.00011 0.00014 -0.00001 0.00030 34 2PY -0.00076 -0.00051 0.00118 0.00033 0.00021 35 2PZ 0.00027 0.00003 0.00033 0.00014 0.00051 36 3S 0.00150 -0.00075 0.00064 0.00005 0.00015 37 3PX 0.00092 -0.00017 -0.00002 -0.00000 0.00008 38 3PY -0.00056 -0.00086 0.00013 0.00009 0.00003 39 3PZ 0.00023 -0.00017 0.00009 0.00011 0.00043 40 4XX -0.00011 -0.00001 -0.00002 0.00001 -0.00001 41 4YY 0.00003 0.00001 0.00003 -0.00003 -0.00003 42 4ZZ 0.00002 0.00001 -0.00002 0.00000 -0.00000 43 4XY 0.00001 -0.00002 0.00002 0.00000 -0.00003 44 4XZ -0.00002 0.00000 0.00000 -0.00000 0.00000 45 4YZ -0.00003 -0.00000 -0.00002 -0.00001 -0.00007 46 4 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 47 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 48 2PX -0.00001 -0.00000 0.00001 0.00002 0.00000 49 2PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 50 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 51 3S -0.00009 -0.00004 -0.00001 0.00003 -0.00000 52 3PX -0.00028 -0.00004 -0.00000 0.00008 -0.00000 53 3PY 0.00001 0.00000 -0.00000 -0.00000 0.00000 54 3PZ -0.00001 0.00000 0.00001 -0.00000 0.00001 55 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 57 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 58 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 59 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 60 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 62 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 63 2PX 0.00000 0.00000 0.00000 -0.00000 0.00000 64 2PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 65 2PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 66 3S 0.00000 0.00000 0.00000 -0.00000 0.00000 67 3PX 0.00001 -0.00001 0.00000 -0.00001 0.00000 68 3PY -0.00000 0.00000 -0.00001 0.00000 -0.00000 69 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 70 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 71 4YY 0.00000 0.00000 0.00000 -0.00000 -0.00000 72 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 74 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 75 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 76 6 C 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 77 2S 0.00000 -0.00000 0.00001 0.00000 -0.00000 78 2PX -0.00000 -0.00001 0.00003 0.00001 -0.00000 79 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 80 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 81 3S -0.00004 -0.00009 0.00009 -0.00001 -0.00001 82 3PX -0.00011 -0.00021 0.00014 -0.00002 0.00001 83 3PY -0.00002 0.00004 -0.00000 0.00002 -0.00000 84 3PZ 0.00001 -0.00001 0.00001 0.00000 -0.00000 85 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 86 4YY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 87 4ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 88 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 91 7 C 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 92 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 93 2PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 94 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 95 2PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 96 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 97 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 98 3PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 99 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 100 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 101 4YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 102 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 103 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 104 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 105 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 106 8 C 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 107 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 108 2PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 109 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 110 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 111 3S 0.00000 -0.00000 0.00000 -0.00000 0.00000 112 3PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 113 3PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 114 3PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 115 4XX -0.00000 -0.00000 0.00000 -0.00000 0.00000 116 4YY -0.00000 0.00000 -0.00000 0.00000 -0.00000 117 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 118 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 119 4XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 120 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 121 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 123 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 124 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 126 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 127 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 128 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 130 4XX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 131 4YY -0.00000 0.00000 -0.00000 -0.00000 0.00000 132 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 133 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 134 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 135 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 136 10 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 137 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 138 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 139 2PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 140 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 141 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 142 3PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 143 3PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 144 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 145 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 146 4YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 147 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 148 4XY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 149 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 150 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 151 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 152 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 153 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 154 2PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 155 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 156 3S -0.00000 0.00000 0.00000 0.00000 0.00000 157 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 158 3PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 159 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 160 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 161 4YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 162 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 163 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 164 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 165 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 166 12 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 167 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 168 13 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 169 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 170 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 171 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 172 2PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 173 2PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 174 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 175 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 176 3PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 177 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 178 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 179 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 180 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 181 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 186 2S 0.00000 0.00000 0.00000 0.00000 0.00000 187 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 189 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 0.00000 0.00000 0.00000 191 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 192 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 3S -0.00000 0.00000 0.00000 -0.00000 -0.00000 195 3PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 196 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 197 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 198 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 199 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 200 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 205 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 206 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 207 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 208 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 209 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 210 3PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 211 3PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 212 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 213 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 214 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 215 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 216 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 219 19 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 220 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 221 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 224 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 225 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 226 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 227 23 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 228 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 229 24 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 230 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 231 25 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 232 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 233 26 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 234 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 235 27 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 236 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 237 28 Br 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 238 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 239 3S 0.00000 -0.00000 0.00000 -0.00000 0.00000 240 4S 0.00000 -0.00000 0.00000 -0.00000 0.00000 241 5S -0.00000 -0.00000 0.00000 0.00000 -0.00000 242 6S 0.00000 0.00000 -0.00000 -0.00000 0.00000 243 7PX 0.00000 -0.00000 0.00000 0.00000 0.00000 244 7PY 0.00000 -0.00000 0.00000 0.00000 0.00000 245 7PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 246 8PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 247 8PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 248 8PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 249 9PX 0.00000 -0.00000 0.00000 0.00000 0.00000 250 9PY -0.00000 -0.00000 0.00000 0.00000 0.00000 251 9PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 252 10PX 0.00000 0.00000 -0.00000 0.00000 0.00000 253 10PY -0.00000 0.00000 0.00000 0.00000 0.00001 254 10PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 255 11XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 256 11YY -0.00000 0.00000 -0.00000 0.00000 -0.00000 257 11ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 258 11XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 259 11XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 260 11YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 261 12XX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 262 12YY -0.00000 -0.00000 0.00000 0.00000 -0.00000 263 12ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 264 12XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 265 12XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 266 12YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 267 29 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 268 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 269 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 270 2PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 271 2PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 272 3S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 273 3PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 274 3PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 275 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 276 4XX -0.00000 0.00000 0.00000 -0.00000 0.00000 277 4YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 278 4ZZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 279 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 280 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 282 30 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 283 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 284 31 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 285 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 286 32 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 287 2S -0.00000 0.00000 0.00000 0.00000 0.00000 288 33 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 289 2S 0.00002 0.00001 -0.00000 -0.00001 -0.00000 290 34 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 291 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 292 35 H 1S 0.00008 -0.00000 0.00002 0.00001 0.00002 293 2S 0.00053 0.00005 0.00002 0.00003 0.00013 294 36 H 1S 0.00003 0.00002 -0.00001 0.00000 0.00008 295 2S 0.00011 0.00030 -0.00005 -0.00001 0.00029 296 37 H 1S 0.00043 0.00205 0.00005 0.00009 0.00417 297 2S 0.00095 0.00243 0.00002 0.00003 0.00083 298 38 H 1S -0.00101 -0.00085 0.00103 0.00109 0.00011 299 2S -0.00191 -0.00170 0.00019 0.00020 0.00001 300 39 H 1S -0.00000 0.00010 -0.00000 0.00001 -0.00000 301 2S -0.00009 0.00073 -0.00001 0.00003 -0.00004 302 40 H 1S 0.00004 -0.00000 -0.00000 -0.00000 0.00005 303 2S 0.00039 -0.00019 -0.00001 -0.00001 0.00013 31 32 33 34 35 31 3 C 1S 2.05107 32 2S -0.01150 0.30211 33 2PX 0.00000 0.00000 0.37977 34 2PY 0.00000 0.00000 0.00000 0.39331 35 2PZ 0.00000 0.00000 0.00000 -0.00000 0.41279 36 3S -0.03455 0.22905 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.09422 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.09733 0.00000 39 3PZ 0.00000 0.00000 0.00000 -0.00000 0.11228 40 4XX -0.00118 -0.00458 0.00000 0.00000 0.00000 41 4YY -0.00133 -0.00205 0.00000 0.00000 0.00000 42 4ZZ -0.00143 0.00023 0.00000 0.00000 0.00000 43 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 -0.00015 -0.00109 -0.00009 -0.00003 47 2S -0.00015 0.00391 0.02274 0.00181 0.00070 48 2PX -0.00107 0.02159 0.06401 0.00637 0.00312 49 2PY -0.00006 0.00133 0.00560 -0.00056 0.00027 50 2PZ -0.00005 0.00107 0.00376 0.00028 0.00003 51 3S 0.00045 -0.00041 0.02518 0.00307 0.00008 52 3PX -0.00117 0.01699 0.02446 0.00331 0.00293 53 3PY -0.00007 0.00100 0.00324 -0.00061 0.00033 54 3PZ -0.00007 0.00087 0.00234 0.00019 0.00092 55 4XX -0.00009 0.00210 0.00112 0.00055 0.00036 56 4YY 0.00000 -0.00023 -0.00056 0.00002 -0.00003 57 4ZZ 0.00000 -0.00024 -0.00056 -0.00009 0.00002 58 4XY -0.00002 0.00032 0.00058 0.00056 0.00005 59 4XZ -0.00001 0.00016 0.00042 0.00007 0.00074 60 4YZ -0.00000 0.00001 0.00007 0.00003 0.00010 61 5 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00002 -0.00009 -0.00002 -0.00001 63 2PX 0.00000 -0.00006 -0.00021 -0.00006 -0.00001 64 2PY 0.00000 -0.00003 -0.00011 -0.00002 -0.00002 65 2PZ 0.00000 -0.00001 -0.00006 -0.00003 -0.00000 66 3S 0.00000 -0.00004 -0.00098 -0.00058 -0.00073 67 3PX 0.00004 -0.00011 -0.00009 -0.00075 0.00016 68 3PY 0.00003 -0.00031 -0.00108 0.00003 -0.00072 69 3PZ 0.00000 -0.00017 -0.00063 -0.00061 0.00018 70 4XX -0.00000 0.00001 0.00003 0.00001 0.00000 71 4YY -0.00000 0.00000 -0.00000 0.00000 -0.00000 72 4ZZ 0.00000 -0.00000 -0.00001 -0.00000 0.00000 73 4XY -0.00000 0.00000 0.00002 0.00000 -0.00000 74 4XZ -0.00000 0.00000 0.00001 0.00000 -0.00000 75 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 76 6 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 78 2PX 0.00000 -0.00000 0.00000 -0.00001 -0.00000 79 2PY 0.00000 -0.00001 -0.00001 -0.00002 0.00000 80 2PZ 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 81 3S 0.00001 -0.00036 -0.00007 -0.00068 -0.00030 82 3PX 0.00000 -0.00015 0.00009 -0.00036 -0.00015 83 3PY 0.00001 -0.00037 -0.00026 0.00051 -0.00019 84 3PZ -0.00000 0.00001 -0.00017 0.00041 -0.00006 85 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 86 4YY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 87 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 88 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 89 4XZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 90 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 91 7 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 92 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 93 2PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 94 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 95 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 96 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 97 3PX -0.00000 0.00000 -0.00000 0.00001 0.00000 98 3PY -0.00000 0.00000 -0.00000 0.00001 -0.00000 99 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 100 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 101 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 102 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 103 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 104 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 105 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 106 8 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 107 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 108 2PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 109 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 110 2PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 111 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 112 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 113 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 114 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 115 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 116 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 117 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 118 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 119 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 120 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 121 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 123 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 124 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 125 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 126 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 127 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 128 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 129 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 130 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 132 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 133 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 135 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 136 10 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 137 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 138 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 139 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 140 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 141 3S -0.00000 0.00001 0.00006 0.00001 -0.00000 142 3PX -0.00000 0.00002 0.00009 0.00002 0.00000 143 3PY -0.00000 0.00000 0.00002 -0.00000 0.00000 144 3PZ 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 145 4XX 0.00000 -0.00000 -0.00000 0.00000 0.00000 146 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 147 4ZZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 148 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 149 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 150 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 151 11 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 152 2S -0.00000 0.00000 0.00000 0.00000 0.00000 153 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 154 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 155 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 156 3S -0.00000 0.00000 0.00000 0.00000 0.00000 157 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 158 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 159 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 160 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 161 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 162 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 163 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 164 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 165 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 166 12 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 167 2S 0.00000 -0.00000 -0.00001 0.00000 -0.00000 168 13 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 169 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 170 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 171 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 172 2PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 173 2PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 174 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 3S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 176 3PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 177 3PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 178 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 179 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 180 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 181 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 182 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 184 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 185 15 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 186 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 187 16 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 188 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 189 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 191 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 192 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 193 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 195 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 196 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 197 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 198 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 199 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 200 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 201 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 202 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 203 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 204 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 205 2S 0.00000 0.00000 0.00000 0.00000 0.00000 206 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 207 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 208 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 209 3S -0.00000 0.00000 0.00000 0.00000 0.00000 210 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 211 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 212 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 213 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 214 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 215 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 216 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 217 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 218 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 219 19 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 220 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 221 20 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 222 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 223 21 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 224 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 225 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 226 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 227 23 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 228 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 229 24 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 230 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 231 25 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 232 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 233 26 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 234 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 235 27 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 236 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 237 28 Br 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 238 2S 0.00000 0.00000 0.00000 0.00000 0.00000 239 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 240 4S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 241 5S -0.00000 0.00000 0.00000 0.00000 0.00000 242 6S 0.00000 -0.00000 0.00000 -0.00001 -0.00000 243 7PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 244 7PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 245 7PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 246 8PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 247 8PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 248 8PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 249 9PX -0.00000 0.00000 -0.00000 0.00000 0.00000 250 9PY 0.00000 0.00000 0.00000 0.00000 -0.00000 251 9PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 252 10PX -0.00000 0.00000 -0.00000 0.00000 0.00000 253 10PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 254 10PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 255 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 11YY 0.00000 0.00000 0.00000 0.00000 -0.00000 257 11ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 258 11XY 0.00000 0.00000 -0.00000 0.00000 0.00000 259 11XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 260 11YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 261 12XX -0.00000 0.00000 0.00000 0.00000 0.00000 262 12YY 0.00000 0.00000 -0.00000 0.00000 0.00000 263 12ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 264 12XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 265 12XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 266 12YZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 267 29 C 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 268 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 269 2PX 0.00000 -0.00000 -0.00000 0.00000 -0.00001 270 2PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 271 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 272 3S 0.00000 -0.00009 -0.00013 -0.00001 -0.00017 273 3PX 0.00001 -0.00024 -0.00030 0.00002 -0.00044 274 3PY 0.00000 -0.00001 0.00001 -0.00004 -0.00003 275 3PZ -0.00000 -0.00001 0.00000 -0.00004 0.00027 276 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 277 4YY -0.00000 0.00000 0.00000 -0.00000 0.00000 278 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 279 4XY -0.00000 0.00000 0.00000 -0.00000 -0.00000 280 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 281 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 282 30 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 283 2S -0.00000 0.00007 0.00021 0.00000 0.00039 284 31 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 285 2S -0.00000 0.00000 0.00000 -0.00000 0.00001 286 32 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 287 2S 0.00000 0.00000 -0.00000 0.00000 0.00001 288 33 H 1S 0.00000 -0.00013 -0.00022 -0.00011 -0.00019 289 2S 0.00012 -0.00216 -0.00268 -0.00195 -0.00276 290 34 H 1S 0.00000 -0.00013 -0.00043 -0.00004 -0.00002 291 2S 0.00012 -0.00188 -0.00552 -0.00059 -0.00022 292 35 H 1S -0.00169 0.02687 0.00015 0.04481 0.05291 293 2S -0.00048 0.00852 0.00008 0.02704 0.03259 294 36 H 1S -0.00172 0.02840 0.01383 0.01816 0.06629 295 2S -0.00078 0.01225 0.00801 0.01033 0.03808 296 37 H 1S 0.00000 -0.00013 -0.00009 -0.00038 -0.00004 297 2S 0.00012 -0.00205 -0.00098 -0.00573 -0.00078 298 38 H 1S 0.00000 -0.00012 -0.00035 -0.00006 -0.00005 299 2S 0.00011 -0.00170 -0.00508 -0.00069 -0.00065 300 39 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 301 2S 0.00000 -0.00015 -0.00001 -0.00028 -0.00003 302 40 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 303 2S -0.00000 0.00007 0.00003 0.00022 0.00009 36 37 38 39 40 36 3S 0.28792 37 3PX 0.00000 0.07589 38 3PY 0.00000 0.00000 0.07752 39 3PZ 0.00000 0.00000 0.00000 0.09502 40 4XX -0.00386 0.00000 0.00000 0.00000 0.00139 41 4YY -0.00112 0.00000 0.00000 0.00000 -0.00011 42 4ZZ 0.00123 0.00000 0.00000 0.00000 -0.00017 43 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 45 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00037 -0.00124 -0.00014 -0.00004 -0.00010 47 2S 0.00028 0.01771 0.00160 0.00055 0.00221 48 2PX 0.02753 0.02438 0.00417 0.00153 0.00146 49 2PY 0.00141 0.00453 -0.00136 0.00022 0.00072 50 2PZ 0.00181 0.00194 0.00014 -0.00021 0.00029 51 3S -0.01839 0.01620 0.00260 -0.00030 0.00331 52 3PX 0.01994 0.00794 0.00261 0.00205 0.00120 53 3PY 0.00090 0.00340 -0.00161 0.00031 0.00051 54 3PZ 0.00146 0.00142 0.00010 0.00069 0.00020 55 4XX 0.00302 0.00102 0.00035 0.00026 0.00002 56 4YY -0.00089 -0.00088 -0.00015 -0.00004 -0.00001 57 4ZZ -0.00083 -0.00120 -0.00013 -0.00009 -0.00004 58 4XY 0.00023 0.00009 0.00043 0.00001 -0.00006 59 4XZ 0.00008 0.00008 0.00002 0.00056 0.00001 60 4YZ 0.00000 0.00002 0.00001 0.00008 -0.00001 61 5 C 1S 0.00001 0.00008 0.00002 0.00002 -0.00000 62 2S -0.00023 -0.00140 -0.00030 -0.00026 0.00000 63 2PX -0.00123 -0.00261 -0.00054 0.00031 0.00001 64 2PY -0.00032 -0.00130 -0.00001 -0.00015 0.00000 65 2PZ -0.00023 -0.00068 -0.00043 0.00007 0.00000 66 3S 0.00082 -0.00331 -0.00122 -0.00219 0.00001 67 3PX -0.00041 -0.00171 -0.00089 0.00091 0.00002 68 3PY -0.00068 -0.00216 -0.00003 -0.00121 0.00002 69 3PZ -0.00071 -0.00134 -0.00138 0.00094 -0.00000 70 4XX 0.00009 0.00030 0.00002 0.00001 0.00000 71 4YY -0.00001 0.00001 0.00001 -0.00001 0.00000 72 4ZZ -0.00004 -0.00015 -0.00002 0.00001 -0.00000 73 4XY 0.00004 0.00011 0.00001 -0.00001 0.00000 74 4XZ -0.00001 -0.00001 -0.00001 0.00000 0.00000 75 4YZ -0.00001 -0.00002 -0.00000 -0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00002 0.00000 -0.00000 77 2S -0.00018 -0.00006 -0.00042 -0.00001 0.00000 78 2PX -0.00009 0.00003 -0.00034 -0.00007 0.00000 79 2PY -0.00042 -0.00017 -0.00050 0.00027 0.00000 80 2PZ -0.00009 -0.00013 -0.00032 -0.00002 -0.00000 81 3S -0.00237 -0.00019 -0.00316 -0.00090 0.00002 82 3PX -0.00046 -0.00005 -0.00085 -0.00029 0.00002 83 3PY -0.00186 -0.00057 0.00044 0.00002 0.00001 84 3PZ -0.00028 -0.00045 0.00027 -0.00000 0.00000 85 4XX 0.00001 0.00001 -0.00000 -0.00000 -0.00000 86 4YY -0.00000 -0.00003 0.00001 0.00000 -0.00000 87 4ZZ -0.00000 -0.00001 -0.00000 0.00000 -0.00000 88 4XY -0.00001 0.00000 -0.00002 -0.00001 -0.00000 89 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 90 4YZ 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 91 7 C 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 93 2PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 94 2PY 0.00000 -0.00000 0.00001 -0.00000 -0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 96 3S -0.00000 0.00002 0.00004 -0.00003 -0.00000 97 3PX 0.00001 -0.00001 0.00008 -0.00001 0.00000 98 3PY 0.00005 -0.00002 0.00021 -0.00004 -0.00000 99 3PZ 0.00002 0.00001 0.00008 0.00000 0.00000 100 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 101 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 102 4ZZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 103 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 106 8 C 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 107 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 108 2PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 109 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 110 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 111 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 112 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 113 3PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 114 3PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 115 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 116 4YY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 117 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 118 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 119 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 120 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 121 9 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 122 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 123 2PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 124 2PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 125 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 126 3S -0.00000 -0.00002 -0.00000 0.00000 -0.00000 127 3PX -0.00001 -0.00002 -0.00001 -0.00000 -0.00000 128 3PY -0.00000 -0.00002 -0.00000 -0.00000 -0.00000 129 3PZ -0.00000 -0.00001 -0.00000 0.00000 -0.00000 130 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 131 4YY -0.00000 0.00000 -0.00000 0.00000 -0.00000 132 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 133 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 134 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 135 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 136 10 C 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 137 2S 0.00001 0.00003 0.00000 -0.00000 0.00000 138 2PX 0.00003 0.00011 0.00001 -0.00000 0.00000 139 2PY 0.00001 0.00004 0.00000 -0.00000 -0.00000 140 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 3S 0.00022 0.00078 0.00017 -0.00000 0.00000 142 3PX 0.00035 0.00098 0.00016 -0.00002 0.00000 143 3PY 0.00011 0.00027 -0.00002 0.00002 -0.00000 144 3PZ 0.00001 -0.00004 -0.00001 -0.00001 -0.00000 145 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 146 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 147 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 148 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 149 4XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 150 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 151 11 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 152 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 153 2PX 0.00000 0.00001 0.00000 -0.00000 -0.00000 154 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 155 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 156 3S 0.00001 0.00006 0.00000 0.00000 0.00000 157 3PX 0.00007 0.00008 0.00001 0.00000 0.00000 158 3PY 0.00001 0.00001 -0.00000 0.00000 0.00000 159 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 160 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 161 4YY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 162 4ZZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 163 4XY 0.00000 -0.00000 0.00000 0.00000 -0.00000 164 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 165 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 166 12 H 1S 0.00000 0.00001 0.00000 0.00000 -0.00000 167 2S 0.00006 -0.00004 0.00000 -0.00000 -0.00000 168 13 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 169 2S -0.00001 -0.00001 -0.00000 0.00000 -0.00000 170 14 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 171 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 172 2PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 173 2PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 174 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 175 3S -0.00000 -0.00000 0.00000 0.00000 0.00000 176 3PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 177 3PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 178 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 179 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 180 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 181 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 182 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 184 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 185 15 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 186 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 187 16 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 188 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 189 17 C 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 190 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 191 2PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 192 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 193 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 3S 0.00000 0.00000 0.00000 -0.00000 0.00000 195 3PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 196 3PY 0.00000 0.00000 0.00000 0.00000 -0.00000 197 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 198 4XX -0.00000 -0.00000 -0.00000 0.00000 0.00000 199 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 200 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 202 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 203 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 18 C 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 205 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 206 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 207 2PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 208 2PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 209 3S 0.00000 0.00000 0.00000 -0.00000 0.00000 210 3PX 0.00000 0.00000 0.00000 -0.00000 0.00000 211 3PY 0.00000 0.00000 0.00000 0.00000 -0.00000 212 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 213 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 214 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 215 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 216 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 217 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 218 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 219 19 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 220 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 221 20 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 222 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 223 21 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 224 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 225 22 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 226 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 227 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 228 2S 0.00002 -0.00000 0.00001 -0.00001 -0.00000 229 24 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 230 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 231 25 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 232 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 233 26 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 234 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 235 27 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 236 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 237 28 Br 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 238 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 239 3S 0.00000 0.00000 0.00000 -0.00000 -0.00000 240 4S 0.00000 0.00000 0.00000 -0.00000 -0.00000 241 5S 0.00000 -0.00000 0.00001 0.00000 0.00000 242 6S 0.00000 -0.00000 -0.00007 -0.00000 -0.00000 243 7PX 0.00000 0.00000 0.00000 0.00000 -0.00000 244 7PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 245 7PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 246 8PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 247 8PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 248 8PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 249 9PX -0.00000 -0.00000 0.00000 0.00000 0.00000 250 9PY -0.00001 -0.00000 0.00000 0.00000 0.00000 251 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 252 10PX -0.00001 0.00000 0.00001 0.00000 0.00000 253 10PY -0.00017 -0.00005 -0.00003 -0.00000 0.00000 254 10PZ 0.00000 0.00000 0.00001 0.00004 0.00000 255 11XX -0.00000 -0.00000 -0.00000 0.00000 0.00000 256 11YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 257 11ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 258 11XY 0.00000 -0.00000 0.00000 0.00000 -0.00000 259 11XZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 260 11YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 261 12XX -0.00000 -0.00000 -0.00000 0.00000 0.00000 262 12YY -0.00002 -0.00001 -0.00003 0.00000 0.00000 263 12ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 264 12XY -0.00000 0.00000 -0.00001 -0.00000 -0.00000 265 12XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 266 12YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 267 29 C 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 268 2S -0.00003 -0.00002 0.00002 -0.00011 -0.00000 269 2PX 0.00001 0.00006 0.00009 -0.00022 0.00000 270 2PY -0.00001 0.00002 -0.00003 -0.00003 0.00000 271 2PZ -0.00001 -0.00008 0.00003 -0.00002 -0.00000 272 3S -0.00047 -0.00042 0.00004 -0.00073 -0.00001 273 3PX -0.00031 -0.00022 0.00027 -0.00117 0.00000 274 3PY -0.00006 0.00007 -0.00020 -0.00013 0.00000 275 3PZ 0.00008 0.00001 -0.00001 0.00064 -0.00003 276 4XX -0.00000 0.00001 0.00000 -0.00000 0.00000 277 4YY 0.00000 0.00001 0.00000 0.00000 -0.00000 278 4ZZ 0.00000 -0.00002 -0.00000 -0.00000 0.00000 279 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 280 4XZ -0.00000 -0.00001 -0.00000 0.00001 0.00000 281 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 282 30 H 1S -0.00001 0.00019 -0.00005 -0.00025 0.00000 283 2S 0.00075 0.00134 -0.00010 0.00102 -0.00001 284 31 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 285 2S 0.00001 -0.00006 -0.00006 0.00008 0.00000 286 32 H 1S -0.00001 -0.00000 0.00000 -0.00000 -0.00000 287 2S -0.00013 -0.00007 0.00002 0.00008 0.00000 288 33 H 1S -0.00247 -0.00246 -0.00070 -0.00149 -0.00001 289 2S -0.00666 -0.00555 -0.00301 -0.00554 -0.00039 290 34 H 1S -0.00254 -0.00244 -0.00012 -0.00004 0.00007 291 2S -0.00675 -0.00783 -0.00081 -0.00022 0.00027 292 35 H 1S 0.03971 0.00001 0.02668 0.03681 -0.00106 293 2S 0.01707 0.00001 0.02493 0.03513 -0.00243 294 36 H 1S 0.03632 0.00936 0.01190 0.04409 -0.00084 295 2S 0.01531 0.00862 0.01066 0.03983 -0.00119 296 37 H 1S -0.00231 -0.00086 -0.00349 -0.00023 -0.00000 297 2S -0.00637 -0.00181 -0.01092 -0.00148 -0.00016 298 38 H 1S -0.00215 -0.00190 -0.00037 -0.00037 0.00008 299 2S -0.00546 -0.00759 -0.00094 -0.00115 0.00072 300 39 H 1S -0.00013 -0.00001 -0.00002 -0.00035 -0.00000 301 2S -0.00089 -0.00003 -0.00059 -0.00035 -0.00001 302 40 H 1S 0.00006 0.00002 0.00013 0.00003 0.00000 303 2S 0.00080 0.00022 0.00159 0.00060 0.00000 41 42 43 44 45 41 4YY 0.00069 42 4ZZ 0.00006 0.00099 43 4XY -0.00000 0.00000 0.00088 44 4XZ -0.00000 0.00000 0.00000 0.00071 45 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00167 46 4 C 1S 0.00000 0.00000 -0.00002 -0.00001 -0.00000 47 2S -0.00025 -0.00025 0.00032 0.00019 0.00001 48 2PX -0.00068 -0.00056 0.00087 0.00029 0.00005 49 2PY 0.00002 -0.00008 0.00052 0.00004 0.00004 50 2PZ -0.00003 0.00002 0.00005 0.00069 0.00008 51 3S -0.00076 -0.00110 0.00015 0.00013 0.00001 52 3PX -0.00127 -0.00098 0.00015 0.00004 0.00000 53 3PY -0.00014 -0.00014 0.00043 0.00001 0.00004 54 3PZ -0.00004 -0.00010 0.00001 0.00046 0.00004 55 4XX -0.00003 -0.00002 -0.00001 -0.00002 -0.00002 56 4YY 0.00000 0.00000 0.00001 -0.00000 -0.00000 57 4ZZ 0.00001 0.00001 0.00001 -0.00000 -0.00000 58 4XY 0.00000 0.00001 -0.00007 -0.00002 -0.00001 59 4XZ 0.00000 0.00000 -0.00001 -0.00006 -0.00002 60 4YZ -0.00000 -0.00000 -0.00000 -0.00002 0.00001 61 5 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 -0.00000 0.00001 0.00001 0.00000 64 2PY 0.00000 0.00000 0.00001 0.00001 0.00000 65 2PZ 0.00000 -0.00000 0.00001 0.00000 0.00000 66 3S -0.00002 0.00004 0.00005 0.00005 0.00002 67 3PX -0.00003 0.00000 0.00009 0.00005 0.00000 68 3PY -0.00001 0.00000 0.00001 0.00006 0.00001 69 3PZ 0.00000 0.00002 0.00003 -0.00002 -0.00000 70 4XX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 71 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 73 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 74 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 75 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 76 6 C 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 77 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 78 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 79 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S -0.00003 0.00001 -0.00001 -0.00000 0.00001 82 3PX -0.00004 0.00000 0.00001 0.00000 0.00000 83 3PY 0.00002 -0.00002 -0.00002 0.00000 0.00001 84 3PZ 0.00000 -0.00001 -0.00001 0.00000 0.00001 85 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 90 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 91 7 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 94 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 95 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 96 3S 0.00000 0.00000 0.00000 0.00000 0.00000 97 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 98 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 99 3PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 100 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 101 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 102 4ZZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 103 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 104 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 105 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 106 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 107 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 108 2PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 109 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 110 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 111 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 112 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 113 3PY -0.00000 0.00000 0.00000 0.00000 -0.00000 114 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 115 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 116 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 117 4ZZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 118 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 120 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 3S 0.00000 0.00000 0.00000 0.00000 0.00000 127 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 130 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 131 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 132 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 134 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 135 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 137 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 138 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 139 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 140 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 141 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 142 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 143 3PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 144 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 145 4XX 0.00000 -0.00000 -0.00000 0.00000 0.00000 146 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 147 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 148 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 150 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 151 11 C 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 152 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 153 2PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 154 2PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 155 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 156 3S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 157 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 158 3PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 159 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 160 4XX -0.00000 -0.00000 -0.00000 0.00000 0.00000 161 4YY 0.00000 0.00000 0.00000 -0.00000 -0.00000 162 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 163 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 164 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 165 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 166 12 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 167 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 168 13 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 169 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 170 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 171 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 172 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 173 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 174 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 175 3S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 176 3PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 177 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 178 3PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 179 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 180 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 181 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 182 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 183 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 184 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 185 15 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 186 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 187 16 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 188 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 189 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 191 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 192 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 193 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 194 3S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 195 3PX -0.00000 -0.00000 0.00000 0.00000 0.00000 196 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 197 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 198 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 199 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 200 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 201 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 205 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 206 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 207 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 208 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 209 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 210 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 211 3PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 212 3PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 213 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 214 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 215 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 216 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 219 19 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 220 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 221 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 224 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 225 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 226 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 227 23 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 228 2S -0.00000 0.00000 0.00000 0.00000 0.00000 229 24 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 230 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 231 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 0.00000 0.00000 0.00000 0.00000 233 26 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 234 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 235 27 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 236 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 237 28 Br 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 238 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 239 3S 0.00000 -0.00000 0.00000 0.00000 -0.00000 240 4S 0.00000 -0.00000 0.00000 0.00000 -0.00000 241 5S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 242 6S 0.00000 -0.00000 0.00000 0.00000 0.00000 243 7PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 244 7PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 245 7PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 246 8PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 247 8PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 248 8PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 249 9PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 250 9PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 251 9PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 252 10PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 253 10PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 254 10PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 255 11XX -0.00000 0.00000 -0.00000 -0.00000 0.00000 256 11YY -0.00000 0.00000 -0.00000 -0.00000 0.00000 257 11ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 258 11XY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 259 11XZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 260 11YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 261 12XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 262 12YY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 263 12ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 264 12XY 0.00000 0.00000 0.00000 -0.00000 0.00000 265 12XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 266 12YZ -0.00000 0.00000 0.00000 0.00000 0.00000 267 29 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 268 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 269 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 270 2PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 271 2PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 272 3S -0.00000 0.00001 0.00000 -0.00001 0.00000 273 3PX -0.00001 0.00001 -0.00000 0.00001 0.00000 274 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 275 3PZ 0.00001 0.00002 0.00000 -0.00001 -0.00000 276 4XX -0.00000 -0.00000 -0.00000 0.00000 0.00000 277 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 278 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 279 4XY 0.00000 -0.00000 0.00000 0.00000 -0.00000 280 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 281 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 282 30 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 283 2S -0.00000 0.00001 0.00000 -0.00001 0.00000 284 31 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 285 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 286 32 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 287 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 288 33 H 1S 0.00001 0.00001 0.00002 0.00005 0.00003 289 2S 0.00020 0.00029 0.00006 0.00017 0.00015 290 34 H 1S -0.00000 -0.00000 0.00003 0.00001 0.00000 291 2S 0.00002 -0.00008 0.00015 0.00002 0.00001 292 35 H 1S 0.00094 0.00168 0.00002 0.00001 0.00430 293 2S 0.00147 0.00178 0.00000 0.00001 0.00094 294 36 H 1S -0.00054 0.00288 0.00049 0.00161 0.00215 295 2S -0.00068 0.00265 0.00010 0.00031 0.00045 296 37 H 1S 0.00006 -0.00000 0.00002 0.00001 0.00003 297 2S 0.00041 0.00002 0.00002 0.00002 0.00016 298 38 H 1S -0.00001 -0.00000 0.00001 0.00002 0.00000 299 2S -0.00034 -0.00005 -0.00003 0.00006 0.00000 300 39 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 301 2S 0.00001 0.00002 -0.00000 -0.00000 -0.00003 302 40 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 303 2S -0.00000 -0.00001 0.00000 0.00000 -0.00000 46 47 48 49 50 46 4 C 1S 2.05193 47 2S -0.01169 0.30343 48 2PX 0.00000 0.00000 0.39501 49 2PY 0.00000 0.00000 -0.00000 0.40415 50 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.38532 51 3S -0.03596 0.24028 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.09985 -0.00000 -0.00000 53 3PY 0.00000 0.00000 -0.00000 0.10669 -0.00000 54 3PZ 0.00000 0.00000 -0.00000 -0.00000 0.09851 55 4XX -0.00123 -0.00350 0.00000 0.00000 0.00000 56 4YY -0.00138 -0.00068 0.00000 0.00000 0.00000 57 4ZZ -0.00131 -0.00214 0.00000 0.00000 0.00000 58 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 -0.00013 -0.00019 -0.00030 -0.00058 62 2S -0.00012 0.00338 0.00436 0.00644 0.01279 63 2PX -0.00020 0.00401 -0.00004 0.00560 0.01050 64 2PY -0.00029 0.00616 0.00535 0.00232 0.01611 65 2PZ -0.00052 0.01080 0.00941 0.01422 0.01603 66 3S -0.00010 0.00404 0.00393 0.00950 0.01827 67 3PX -0.00020 0.00260 0.00027 0.00435 0.00694 68 3PY -0.00010 0.00247 0.00298 -0.00044 0.01087 69 3PZ -0.00047 0.00780 0.00540 0.00811 0.00220 70 4XX 0.00000 -0.00009 -0.00011 -0.00008 0.00007 71 4YY -0.00000 -0.00003 0.00014 -0.00030 0.00006 72 4ZZ -0.00002 0.00040 0.00043 0.00074 -0.00081 73 4XY -0.00002 0.00033 -0.00002 0.00003 0.00072 74 4XZ -0.00003 0.00064 -0.00001 0.00088 0.00053 75 4YZ -0.00004 0.00076 0.00061 -0.00010 0.00046 76 6 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 77 2S 0.00000 -0.00004 -0.00000 -0.00012 -0.00008 78 2PX 0.00000 -0.00001 0.00000 -0.00002 -0.00002 79 2PY 0.00000 -0.00013 0.00001 -0.00032 -0.00033 80 2PZ 0.00000 -0.00004 -0.00001 -0.00004 0.00010 81 3S 0.00007 -0.00101 -0.00003 -0.00328 -0.00168 82 3PX 0.00001 -0.00024 0.00055 -0.00065 -0.00027 83 3PY 0.00005 -0.00009 -0.00007 -0.00105 -0.00060 84 3PZ 0.00006 -0.00064 -0.00009 -0.00115 0.00092 85 4XX 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 86 4YY -0.00000 0.00001 -0.00000 0.00003 0.00003 87 4ZZ -0.00000 0.00000 -0.00000 0.00002 0.00001 88 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 89 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 90 4YZ -0.00000 0.00001 -0.00000 0.00005 0.00004 91 7 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 92 2S -0.00000 0.00000 0.00000 0.00000 0.00000 93 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 94 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 95 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 96 3S -0.00000 0.00002 0.00000 0.00007 0.00004 97 3PX -0.00000 0.00000 -0.00000 0.00000 0.00001 98 3PY -0.00000 0.00006 0.00000 0.00015 0.00014 99 3PZ -0.00000 0.00001 -0.00000 0.00001 -0.00000 100 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 101 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 102 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 103 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 104 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 106 8 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 107 2S -0.00000 0.00000 0.00000 0.00000 0.00000 108 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 109 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 110 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 111 3S -0.00000 -0.00000 0.00000 0.00000 0.00000 112 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 113 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 114 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 115 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 116 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 117 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 118 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 120 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 121 9 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 122 2S -0.00000 0.00000 0.00000 0.00000 0.00000 123 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 124 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 125 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 126 3S -0.00000 0.00001 0.00002 0.00002 0.00000 127 3PX -0.00000 0.00001 0.00001 0.00002 -0.00000 128 3PY -0.00000 0.00001 0.00003 0.00002 0.00001 129 3PZ -0.00000 0.00001 0.00003 0.00003 0.00000 130 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 131 4YY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 132 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 133 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 134 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 135 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 136 10 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 137 2S 0.00000 -0.00002 -0.00007 -0.00004 -0.00001 138 2PX 0.00000 -0.00007 -0.00018 -0.00014 -0.00003 139 2PY 0.00000 -0.00003 -0.00009 -0.00002 -0.00003 140 2PZ 0.00000 -0.00001 -0.00000 -0.00002 -0.00000 141 3S 0.00005 -0.00093 -0.00278 -0.00097 0.00017 142 3PX 0.00008 -0.00123 -0.00172 -0.00136 -0.00016 143 3PY 0.00003 -0.00041 -0.00101 0.00040 -0.00045 144 3PZ 0.00001 -0.00008 0.00059 0.00001 0.00001 145 4XX -0.00000 0.00000 0.00001 0.00000 0.00000 146 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 147 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 148 4XY -0.00000 0.00000 0.00002 0.00001 0.00001 149 4XZ -0.00000 0.00000 0.00001 0.00001 0.00000 150 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 151 11 C 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 152 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 153 2PX 0.00000 -0.00000 -0.00002 0.00000 -0.00000 154 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 155 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 156 3S 0.00000 -0.00009 -0.00039 -0.00001 0.00001 157 3PX 0.00001 -0.00018 -0.00023 -0.00004 0.00001 158 3PY 0.00000 -0.00001 -0.00004 -0.00006 0.00001 159 3PZ 0.00000 -0.00002 -0.00008 0.00000 -0.00003 160 4XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 161 4YY -0.00000 0.00000 0.00000 -0.00000 0.00000 162 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 163 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 164 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 165 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 166 12 H 1S 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 167 2S -0.00000 0.00001 0.00037 -0.00005 0.00002 168 13 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 169 2S -0.00000 0.00001 0.00001 0.00000 -0.00000 170 14 C 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 171 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 172 2PX -0.00000 0.00000 0.00000 -0.00000 0.00000 173 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 174 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 175 3S -0.00000 0.00000 0.00000 -0.00000 -0.00000 176 3PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 177 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 178 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 179 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 180 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 181 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 182 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 183 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 184 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 185 15 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 186 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 187 16 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 188 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 189 17 C 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 190 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 191 2PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 192 2PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 193 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 194 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 195 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 196 3PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 197 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 198 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 199 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 200 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 201 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 202 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 203 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 204 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 205 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 206 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 207 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 208 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 209 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 210 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 211 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 212 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 213 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 214 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 215 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 216 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 219 19 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 220 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 221 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 222 2S -0.00000 0.00000 0.00000 0.00000 0.00000 223 21 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 224 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 225 22 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 226 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 227 23 H 1S 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 228 2S 0.00000 -0.00010 -0.00018 -0.00011 0.00003 229 24 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 230 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 231 25 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 232 2S -0.00000 0.00000 0.00000 0.00000 0.00000 233 26 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 234 2S -0.00000 0.00000 0.00000 0.00000 0.00000 235 27 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 236 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 237 28 Br 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 238 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 239 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 240 4S 0.00000 0.00000 -0.00000 0.00000 0.00000 241 5S 0.00000 -0.00000 0.00000 -0.00000 0.00000 242 6S 0.00000 -0.00000 -0.00000 0.00003 -0.00000 243 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 244 7PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 245 7PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 246 8PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 247 8PY -0.00000 0.00000 -0.00000 0.00000 0.00000 248 8PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 249 9PX 0.00000 0.00000 0.00000 0.00000 -0.00000 250 9PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 251 9PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 252 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 10PY 0.00001 -0.00015 0.00002 -0.00046 -0.00001 254 10PZ -0.00000 0.00000 -0.00000 0.00000 -0.00004 255 11XX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 256 11YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 257 11ZZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 258 11XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 259 11XZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 260 11YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 261 12XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 262 12YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 263 12ZZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 264 12XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 265 12XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 266 12YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 267 29 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 268 2S 0.00000 -0.00003 -0.00002 -0.00000 -0.00010 269 2PX 0.00000 -0.00001 0.00000 0.00000 -0.00004 270 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 271 2PZ 0.00000 -0.00011 -0.00007 -0.00000 -0.00034 272 3S 0.00005 -0.00079 -0.00031 -0.00003 -0.00305 273 3PX 0.00001 -0.00016 -0.00011 0.00001 -0.00053 274 3PY -0.00000 0.00000 -0.00000 0.00015 -0.00005 275 3PZ 0.00010 -0.00123 -0.00058 -0.00003 -0.00327 276 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 277 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 278 4ZZ -0.00000 0.00001 0.00001 -0.00000 0.00007 279 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 280 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00002 281 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 282 30 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00002 283 2S 0.00001 -0.00019 0.00001 0.00005 -0.00071 284 31 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 285 2S -0.00000 0.00007 0.00005 0.00001 0.00028 286 32 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 287 2S 0.00000 -0.00011 -0.00007 0.00009 -0.00034 288 33 H 1S -0.00168 0.02699 0.00014 0.02917 0.06838 289 2S -0.00043 0.00840 0.00005 0.01771 0.04183 290 34 H 1S -0.00176 0.02849 0.02891 0.06818 0.00208 291 2S -0.00058 0.01036 0.01615 0.03919 0.00115 292 35 H 1S 0.00000 -0.00013 -0.00024 -0.00017 -0.00012 293 2S 0.00012 -0.00214 -0.00303 -0.00224 -0.00244 294 36 H 1S 0.00000 -0.00015 -0.00033 -0.00006 -0.00003 295 2S 0.00015 -0.00223 -0.00450 -0.00094 -0.00056 296 37 H 1S 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 297 2S 0.00000 -0.00010 -0.00039 0.00017 0.00001 298 38 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 299 2S -0.00000 0.00008 0.00032 0.00000 0.00001 300 39 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 301 2S -0.00000 0.00001 -0.00003 0.00002 0.00005 302 40 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 303 2S -0.00000 -0.00000 0.00000 -0.00001 -0.00000 51 52 53 54 55 51 3S 0.32961 52 3PX 0.00000 0.08378 53 3PY 0.00000 -0.00000 0.09065 54 3PZ 0.00000 -0.00000 -0.00000 0.08155 55 4XX -0.00342 0.00000 0.00000 0.00000 0.00114 56 4YY 0.00010 0.00000 0.00000 0.00000 -0.00003 57 4ZZ -0.00073 0.00000 0.00000 0.00000 -0.00017 58 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 60 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00033 -0.00017 -0.00019 -0.00075 0.00000 62 2S 0.00025 0.00274 0.00451 0.01022 -0.00007 63 2PX 0.00592 -0.00153 0.00359 0.00629 -0.00011 64 2PY 0.00881 0.00353 -0.00239 0.01047 -0.00017 65 2PZ 0.01562 0.00469 0.00904 0.00284 -0.00010 66 3S -0.00311 0.00119 0.00598 0.01446 0.00010 67 3PX 0.00282 0.00093 0.00315 0.00503 -0.00033 68 3PY 0.00149 0.00219 -0.00071 0.00787 0.00005 69 3PZ 0.00791 0.00257 0.00548 -0.00352 -0.00011 70 4XX -0.00019 -0.00043 0.00000 0.00009 0.00001 71 4YY -0.00018 0.00019 -0.00061 0.00018 0.00001 72 4ZZ 0.00096 0.00049 0.00068 -0.00072 -0.00005 73 4XY 0.00021 0.00002 -0.00001 0.00022 0.00000 74 4XZ 0.00050 0.00004 0.00026 0.00006 -0.00000 75 4YZ 0.00056 0.00016 0.00002 0.00004 -0.00002 76 6 C 1S 0.00006 0.00000 0.00009 0.00009 0.00000 77 2S -0.00082 0.00000 -0.00137 -0.00128 -0.00000 78 2PX -0.00010 0.00015 -0.00016 -0.00008 0.00000 79 2PY -0.00213 0.00021 -0.00146 -0.00310 -0.00000 80 2PZ -0.00091 0.00008 -0.00017 0.00004 -0.00000 81 3S -0.00425 0.00016 -0.00743 -0.00490 -0.00005 82 3PX -0.00078 0.00165 -0.00096 -0.00039 0.00000 83 3PY -0.00130 -0.00003 -0.00093 -0.00210 -0.00009 84 3PZ -0.00255 0.00008 -0.00122 0.00061 0.00001 85 4XX -0.00007 0.00000 -0.00013 -0.00015 0.00000 86 4YY 0.00007 -0.00002 0.00013 0.00020 -0.00000 87 4ZZ 0.00007 -0.00000 0.00017 0.00010 -0.00000 88 4XY -0.00001 -0.00002 -0.00001 -0.00001 0.00000 89 4XZ -0.00000 -0.00001 -0.00001 0.00000 -0.00000 90 4YZ 0.00011 -0.00001 0.00016 0.00012 -0.00000 91 7 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 92 2S 0.00001 0.00000 0.00002 0.00003 0.00000 93 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 94 2PY 0.00006 0.00001 0.00009 0.00010 0.00000 95 2PZ 0.00000 0.00000 -0.00000 -0.00001 0.00000 96 3S 0.00028 0.00002 0.00066 0.00042 0.00000 97 3PX 0.00002 -0.00007 0.00002 0.00004 0.00000 98 3PY 0.00087 0.00006 0.00096 0.00110 0.00000 99 3PZ 0.00006 0.00000 0.00001 -0.00009 -0.00000 100 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 101 4YY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 102 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 103 4XY 0.00000 -0.00000 0.00000 0.00000 -0.00000 104 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 105 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 106 8 C 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 107 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 108 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 109 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 110 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 3S 0.00001 0.00000 0.00001 0.00001 0.00000 112 3PX 0.00002 -0.00000 0.00001 0.00002 0.00000 113 3PY 0.00001 0.00002 0.00005 -0.00003 -0.00000 114 3PZ 0.00000 0.00000 0.00000 0.00002 0.00000 115 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 116 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 117 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 118 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 120 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 121 9 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 122 2S 0.00001 0.00001 0.00001 0.00001 -0.00000 123 2PX 0.00003 0.00001 0.00003 0.00003 -0.00000 124 2PY 0.00002 0.00001 0.00002 0.00002 -0.00000 125 2PZ 0.00002 -0.00000 0.00002 0.00001 -0.00000 126 3S 0.00021 0.00027 0.00032 0.00007 -0.00000 127 3PX 0.00046 0.00012 0.00035 0.00015 -0.00000 128 3PY 0.00032 0.00027 0.00017 0.00016 -0.00000 129 3PZ 0.00024 0.00010 0.00031 0.00004 -0.00000 130 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 131 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 132 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 133 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 134 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 135 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 136 10 C 1S 0.00004 0.00006 0.00004 0.00000 -0.00000 137 2S -0.00073 -0.00081 -0.00069 -0.00008 0.00001 138 2PX -0.00202 -0.00094 -0.00152 -0.00033 0.00003 139 2PY -0.00079 -0.00058 -0.00004 -0.00046 0.00001 140 2PZ -0.00058 0.00028 -0.00033 0.00004 -0.00000 141 3S -0.00497 -0.00642 -0.00307 0.00025 0.00020 142 3PX -0.00617 -0.00196 -0.00277 -0.00040 0.00026 143 3PY -0.00150 -0.00149 0.00025 -0.00113 0.00006 144 3PZ -0.00094 0.00156 -0.00019 0.00024 -0.00002 145 4XX 0.00001 -0.00001 -0.00002 -0.00000 0.00000 146 4YY 0.00003 0.00007 0.00004 0.00002 -0.00000 147 4ZZ 0.00000 0.00002 -0.00002 -0.00000 -0.00000 148 4XY 0.00004 0.00005 0.00003 0.00003 0.00000 149 4XZ 0.00003 0.00003 0.00003 -0.00002 -0.00000 150 4YZ 0.00003 0.00002 0.00002 -0.00001 -0.00000 151 11 C 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 152 2S -0.00007 -0.00007 0.00002 -0.00000 0.00000 153 2PX -0.00048 0.00015 0.00011 -0.00002 0.00000 154 2PY -0.00003 0.00001 -0.00009 0.00000 0.00000 155 2PZ 0.00000 0.00004 0.00001 -0.00005 0.00000 156 3S -0.00066 -0.00125 0.00001 0.00001 0.00001 157 3PX -0.00192 0.00101 0.00019 -0.00003 0.00003 158 3PY -0.00011 -0.00001 -0.00044 0.00002 0.00000 159 3PZ -0.00003 -0.00005 0.00002 -0.00021 0.00000 160 4XX -0.00001 0.00002 -0.00001 -0.00000 0.00000 161 4YY 0.00000 0.00001 0.00000 0.00000 -0.00000 162 4ZZ 0.00000 -0.00001 0.00000 0.00000 -0.00000 163 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 164 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 165 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 166 12 H 1S -0.00023 0.00056 -0.00015 -0.00007 0.00000 167 2S -0.00001 0.00358 -0.00049 -0.00012 -0.00001 168 13 H 1S -0.00001 -0.00004 0.00000 -0.00000 -0.00000 169 2S -0.00016 -0.00036 0.00003 -0.00002 -0.00000 170 14 C 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 171 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 172 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 173 2PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 174 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 3S 0.00002 0.00004 -0.00001 -0.00000 0.00000 176 3PX 0.00008 -0.00002 -0.00004 -0.00000 0.00000 177 3PY 0.00001 0.00000 0.00001 0.00000 0.00000 178 3PZ 0.00000 0.00001 -0.00000 0.00000 0.00000 179 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 180 4YY -0.00000 0.00000 0.00000 -0.00000 0.00000 181 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 182 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 183 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 184 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 185 15 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 186 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 187 16 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 188 2S -0.00000 -0.00001 -0.00000 0.00000 -0.00000 189 17 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 190 2S -0.00000 0.00000 0.00000 0.00000 0.00000 191 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 192 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 193 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 194 3S -0.00000 -0.00000 0.00000 0.00000 0.00000 195 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 196 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 197 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 198 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 199 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 200 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 201 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 202 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 203 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 204 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 205 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 206 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 207 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 208 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 209 3S -0.00000 -0.00001 -0.00000 -0.00000 0.00000 210 3PX -0.00001 -0.00001 -0.00001 -0.00001 0.00000 211 3PY -0.00001 -0.00001 -0.00001 -0.00000 0.00000 212 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 213 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 214 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 215 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 216 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 217 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 218 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 219 19 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 220 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 221 20 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 223 21 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 224 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 225 22 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 226 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 227 23 H 1S -0.00052 0.00003 -0.00067 -0.00001 0.00000 228 2S -0.00253 -0.00008 -0.00159 0.00008 -0.00002 229 24 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 230 2S -0.00004 0.00003 -0.00003 0.00003 0.00000 231 25 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 232 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 233 26 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 234 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 235 27 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 236 2S -0.00002 0.00000 -0.00004 -0.00002 -0.00000 237 28 Br 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 238 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 239 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 240 4S 0.00000 -0.00000 -0.00001 -0.00000 0.00000 241 5S -0.00000 0.00000 -0.00006 0.00000 0.00000 242 6S -0.00002 -0.00001 0.00017 -0.00000 -0.00000 243 7PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 244 7PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 245 7PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 246 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 247 8PY 0.00000 -0.00000 0.00001 0.00000 -0.00000 248 8PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 249 9PX -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 250 9PY -0.00019 0.00003 -0.00038 0.00000 0.00000 251 9PZ 0.00000 0.00000 0.00000 -0.00004 0.00000 252 10PX -0.00009 -0.00002 -0.00008 -0.00000 0.00000 253 10PY -0.00198 0.00017 -0.00209 -0.00000 0.00000 254 10PZ 0.00000 0.00000 0.00001 -0.00043 0.00000 255 11XX -0.00000 0.00000 0.00000 0.00000 -0.00000 256 11YY 0.00000 0.00000 0.00001 0.00000 -0.00000 257 11ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 258 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 11XZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 260 11YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 261 12XX -0.00000 0.00000 -0.00002 0.00000 0.00000 262 12YY -0.00001 0.00001 0.00005 0.00000 0.00000 263 12ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 264 12XY -0.00000 -0.00000 -0.00001 0.00000 0.00000 265 12XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 266 12YZ -0.00000 0.00000 0.00000 0.00002 -0.00000 267 29 C 1S 0.00006 0.00001 0.00000 0.00012 -0.00000 268 2S -0.00084 -0.00019 -0.00001 -0.00136 -0.00000 269 2PX -0.00056 -0.00010 0.00002 -0.00088 -0.00000 270 2PY 0.00003 0.00001 0.00005 -0.00000 -0.00000 271 2PZ -0.00293 -0.00063 0.00003 -0.00307 -0.00000 272 3S -0.00403 -0.00085 -0.00007 -0.00755 -0.00004 273 3PX -0.00150 -0.00082 0.00004 -0.00180 -0.00001 274 3PY 0.00006 0.00002 0.00038 -0.00007 -0.00000 275 3PZ -0.00691 -0.00100 0.00000 -0.00541 -0.00007 276 4XX -0.00005 -0.00001 -0.00000 -0.00005 -0.00000 277 4YY -0.00004 -0.00003 0.00000 -0.00016 0.00000 278 4ZZ 0.00023 0.00011 -0.00001 0.00052 0.00000 279 4XY -0.00000 0.00000 0.00000 -0.00000 -0.00000 280 4XZ 0.00006 -0.00001 -0.00000 0.00011 -0.00000 281 4YZ -0.00001 -0.00000 -0.00002 -0.00001 -0.00000 282 30 H 1S -0.00050 -0.00000 0.00008 -0.00084 0.00000 283 2S -0.00241 0.00002 0.00028 -0.00288 0.00001 284 31 H 1S 0.00008 0.00002 0.00001 0.00014 0.00000 285 2S 0.00131 0.00035 0.00011 0.00217 0.00000 286 32 H 1S -0.00023 -0.00038 -0.00005 -0.00013 -0.00000 287 2S -0.00110 -0.00092 0.00011 -0.00069 -0.00001 288 33 H 1S 0.03993 0.00005 0.02026 0.04218 -0.00103 289 2S 0.01313 0.00003 0.01882 0.04024 -0.00243 290 34 H 1S 0.03804 0.01984 0.04343 0.00120 -0.00016 291 2S 0.01204 0.01748 0.03842 0.00111 0.00013 292 35 H 1S -0.00206 -0.00294 -0.00154 -0.00063 -0.00001 293 2S -0.00617 -0.00697 -0.00475 -0.00374 -0.00040 294 36 H 1S -0.00317 -0.00148 -0.00008 0.00014 0.00004 295 2S -0.00844 -0.00589 -0.00102 -0.00046 0.00009 296 37 H 1S -0.00014 -0.00022 0.00001 -0.00004 -0.00000 297 2S -0.00086 -0.00105 0.00066 -0.00009 -0.00005 298 38 H 1S 0.00006 0.00021 -0.00001 0.00000 -0.00000 299 2S 0.00090 0.00252 -0.00005 0.00004 -0.00000 300 39 H 1S -0.00002 0.00001 -0.00001 0.00005 0.00000 301 2S -0.00013 -0.00005 0.00003 0.00051 -0.00000 302 40 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 303 2S 0.00003 -0.00006 -0.00005 -0.00000 -0.00000 56 57 58 59 60 56 4YY 0.00081 57 4ZZ -0.00002 0.00119 58 4XY -0.00000 0.00000 0.00128 59 4XZ -0.00000 0.00000 0.00000 0.00063 60 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00131 61 5 C 1S -0.00000 -0.00002 -0.00002 -0.00003 -0.00004 62 2S -0.00002 0.00044 0.00034 0.00062 0.00083 63 2PX 0.00009 0.00045 -0.00002 -0.00000 0.00069 64 2PY -0.00024 0.00086 0.00006 0.00075 0.00007 65 2PZ 0.00020 -0.00054 0.00066 0.00046 0.00083 66 3S -0.00037 0.00075 0.00030 0.00047 0.00050 67 3PX -0.00012 0.00046 -0.00003 0.00000 0.00012 68 3PY -0.00030 0.00025 0.00001 0.00017 -0.00008 69 3PZ 0.00034 -0.00051 0.00020 0.00004 0.00006 70 4XX -0.00000 -0.00004 0.00000 -0.00000 -0.00000 71 4YY 0.00001 -0.00005 -0.00001 -0.00002 0.00001 72 4ZZ -0.00003 0.00006 -0.00002 0.00000 -0.00008 73 4XY -0.00001 -0.00003 0.00000 0.00001 0.00000 74 4XZ -0.00003 0.00002 0.00001 0.00001 0.00000 75 4YZ 0.00002 -0.00004 -0.00002 -0.00001 0.00003 76 6 C 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 77 2S 0.00001 -0.00000 0.00000 0.00000 0.00001 78 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 79 2PY 0.00003 0.00000 0.00000 0.00000 0.00003 80 2PZ 0.00003 -0.00001 0.00000 0.00000 0.00003 81 3S 0.00031 -0.00013 0.00002 0.00001 0.00008 82 3PX 0.00005 -0.00002 -0.00007 -0.00004 0.00001 83 3PY 0.00011 0.00002 0.00002 0.00001 0.00009 84 3PZ 0.00024 -0.00015 0.00001 0.00000 0.00012 85 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 86 4YY -0.00000 0.00000 -0.00000 -0.00000 0.00000 87 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 88 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 89 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 90 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 91 7 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 92 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 93 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 94 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 95 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 96 3S -0.00000 0.00000 0.00000 0.00000 0.00000 97 3PX -0.00000 0.00000 0.00000 -0.00000 0.00000 98 3PY -0.00001 0.00000 0.00000 0.00000 0.00000 99 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 100 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 101 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 102 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 103 4XY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 104 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 105 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 106 8 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 107 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 108 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 109 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 110 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 111 3S -0.00000 -0.00000 -0.00000 0.00000 0.00000 112 3PX -0.00000 -0.00000 0.00000 0.00000 0.00000 113 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 114 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 115 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 116 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 117 4ZZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 118 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 119 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 120 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 121 9 C 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 122 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 123 2PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 124 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 125 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 126 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 127 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 128 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 129 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 130 4XX 0.00000 -0.00000 0.00000 0.00000 -0.00000 131 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 132 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 133 4XY 0.00000 -0.00000 0.00000 0.00000 -0.00000 134 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 135 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 136 10 C 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 137 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 138 2PX 0.00000 -0.00001 0.00003 0.00000 -0.00000 139 2PY -0.00000 -0.00000 0.00001 0.00000 -0.00000 140 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 141 3S -0.00004 -0.00008 0.00005 -0.00001 -0.00000 142 3PX 0.00003 -0.00018 0.00009 -0.00000 -0.00000 143 3PY -0.00002 0.00001 0.00004 0.00000 -0.00001 144 3PZ 0.00001 0.00001 -0.00001 0.00000 -0.00000 145 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 146 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 147 4ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 148 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 149 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 150 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 151 11 C 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 152 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 153 2PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 154 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 155 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 156 3S -0.00000 -0.00000 0.00000 -0.00000 0.00000 157 3PX -0.00001 -0.00000 -0.00001 -0.00000 0.00000 158 3PY -0.00000 0.00000 -0.00001 0.00000 0.00000 159 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 160 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 161 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 162 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 163 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 164 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 165 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 166 12 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 167 2S -0.00001 0.00001 0.00000 0.00000 -0.00000 168 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 170 14 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 171 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 172 2PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 173 2PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 174 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 176 3PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 177 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 178 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 179 4XX -0.00000 0.00000 -0.00000 0.00000 -0.00000 180 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 181 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 182 4XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 183 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 184 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 185 15 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 186 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 187 16 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 188 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 189 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 191 2PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 192 2PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 193 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 194 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 195 3PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 196 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 197 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 198 4XX 0.00000 -0.00000 0.00000 0.00000 -0.00000 199 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 200 4ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 201 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 202 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 203 4YZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 204 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 205 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 206 2PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 207 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 208 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 209 3S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 210 3PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 211 3PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 212 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 213 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 214 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 215 4ZZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 216 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 217 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 218 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 219 19 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 220 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 221 20 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 222 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 223 21 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 224 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 225 22 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 226 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 227 23 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 228 2S -0.00002 0.00003 -0.00001 0.00000 0.00000 229 24 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 230 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 231 25 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 232 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 233 26 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 234 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 235 27 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 236 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 237 28 Br 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 238 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 239 3S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 240 4S 0.00000 -0.00000 -0.00000 0.00000 0.00000 241 5S 0.00000 -0.00000 0.00000 -0.00000 0.00000 242 6S 0.00000 0.00000 -0.00000 0.00000 -0.00000 243 7PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 244 7PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 245 7PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 246 8PX 0.00000 -0.00000 0.00000 0.00000 0.00000 247 8PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 248 8PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 249 9PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 250 9PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 251 9PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 252 10PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 253 10PY 0.00003 0.00000 0.00000 0.00000 -0.00000 254 10PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 255 11XX -0.00000 0.00000 0.00000 0.00000 0.00000 256 11YY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 257 11ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 258 11XY -0.00000 0.00000 0.00000 0.00000 0.00000 259 11XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 260 11YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 261 12XX -0.00000 -0.00000 -0.00000 0.00000 0.00000 262 12YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 263 12ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 264 12XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 265 12XZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 266 12YZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 267 29 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 268 2S -0.00000 0.00001 0.00000 0.00000 0.00000 269 2PX -0.00000 0.00001 0.00000 0.00000 0.00000 270 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 271 2PZ -0.00000 0.00007 0.00000 0.00002 0.00000 272 3S -0.00005 0.00026 -0.00000 0.00002 0.00001 273 3PX -0.00000 0.00005 -0.00000 -0.00000 0.00000 274 3PY -0.00000 0.00001 0.00000 0.00000 -0.00004 275 3PZ -0.00016 0.00058 0.00000 0.00003 0.00001 276 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 277 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 278 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 279 4XY -0.00000 0.00000 -0.00000 -0.00000 0.00000 280 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 281 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 282 30 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 283 2S 0.00001 -0.00004 0.00000 0.00000 0.00001 284 31 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 285 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 286 32 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 287 2S 0.00002 -0.00002 0.00001 -0.00002 0.00000 288 33 H 1S -0.00010 0.00337 0.00001 0.00004 0.00365 289 2S -0.00026 0.00377 0.00001 0.00001 0.00077 290 34 H 1S 0.00291 -0.00092 0.00360 0.00014 0.00028 291 2S 0.00279 -0.00210 0.00069 0.00003 0.00007 292 35 H 1S 0.00001 0.00001 0.00004 0.00003 0.00003 293 2S 0.00016 0.00036 0.00012 0.00011 0.00014 294 36 H 1S 0.00000 -0.00000 0.00004 0.00004 0.00001 295 2S 0.00006 0.00002 0.00010 0.00015 0.00004 296 37 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 297 2S 0.00002 0.00002 -0.00001 -0.00000 0.00000 298 38 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 299 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 300 39 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 301 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 302 40 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 303 2S 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 5 C 1S 2.05307 62 2S -0.01153 0.31333 63 2PX 0.00000 0.00000 0.39916 64 2PY 0.00000 0.00000 0.00000 0.37963 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.38808 66 3S -0.04176 0.25314 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.08839 0.00000 0.00000 68 3PY 0.00000 0.00000 0.00000 0.07456 -0.00000 69 3PZ 0.00000 0.00000 0.00000 -0.00000 0.09187 70 4XX -0.00112 -0.00393 0.00000 0.00000 0.00000 71 4YY -0.00107 -0.00479 0.00000 0.00000 0.00000 72 4ZZ -0.00109 -0.00404 0.00000 0.00000 0.00000 73 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 75 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 -0.00020 -0.00061 -0.00094 -0.00011 77 2S -0.00021 0.00497 0.01194 0.01826 0.00193 78 2PX -0.00051 0.00943 0.00659 0.02425 0.00429 79 2PY -0.00067 0.01253 0.02230 0.01714 0.00733 80 2PZ -0.00014 0.00266 0.00490 0.00840 0.00223 81 3S 0.00076 -0.00132 0.01701 0.02885 0.00246 82 3PX 0.00046 0.00445 -0.00086 0.01733 0.00221 83 3PY 0.00046 0.00207 0.01485 0.00084 0.00320 84 3PZ 0.00008 0.00144 0.00266 0.00478 0.00663 85 4XX -0.00001 0.00010 -0.00074 0.00072 0.00007 86 4YY -0.00002 0.00044 0.00105 -0.00128 0.00029 87 4ZZ 0.00000 -0.00014 -0.00010 -0.00032 0.00002 88 4XY -0.00008 0.00131 0.00032 0.00092 0.00064 89 4XZ -0.00001 0.00022 0.00001 0.00062 0.00020 90 4YZ -0.00002 0.00024 0.00051 0.00016 0.00040 91 7 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00003 -0.00001 -0.00016 -0.00003 93 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 94 2PY 0.00000 -0.00013 -0.00002 -0.00049 -0.00011 95 2PZ 0.00000 -0.00002 -0.00000 -0.00010 0.00000 96 3S 0.00002 -0.00052 0.00009 -0.00359 -0.00061 97 3PX -0.00001 -0.00002 0.00016 0.00050 0.00003 98 3PY 0.00009 -0.00180 0.00009 -0.00554 -0.00121 99 3PZ 0.00000 -0.00013 0.00004 -0.00076 -0.00009 100 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 101 4YY -0.00000 0.00001 0.00000 0.00004 0.00001 102 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 103 4XY -0.00000 0.00000 -0.00000 0.00001 0.00000 104 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 105 4YZ -0.00000 0.00000 0.00000 0.00002 -0.00000 106 8 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 108 2PX 0.00000 -0.00000 0.00000 -0.00001 -0.00000 109 2PY 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 110 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 111 3S 0.00001 -0.00009 -0.00002 -0.00045 -0.00003 112 3PX 0.00000 -0.00003 0.00001 -0.00030 -0.00003 113 3PY 0.00001 -0.00009 -0.00023 -0.00025 0.00002 114 3PZ 0.00000 -0.00004 0.00000 -0.00014 -0.00001 115 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 116 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 117 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 118 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 119 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 120 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 121 9 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 -0.00002 -0.00008 -0.00003 -0.00000 123 2PX 0.00000 -0.00007 -0.00022 -0.00008 0.00001 124 2PY 0.00000 -0.00005 -0.00016 -0.00004 -0.00000 125 2PZ 0.00000 -0.00001 -0.00003 -0.00002 -0.00000 126 3S 0.00001 -0.00035 -0.00158 -0.00063 -0.00020 127 3PX 0.00006 -0.00109 -0.00119 -0.00062 0.00026 128 3PY 0.00005 -0.00075 -0.00131 -0.00019 -0.00015 129 3PZ -0.00000 -0.00009 -0.00060 -0.00034 0.00012 130 4XX -0.00000 0.00001 0.00002 0.00001 -0.00000 131 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 132 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 133 4XY -0.00000 0.00001 0.00003 0.00001 -0.00000 134 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 135 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 136 10 C 1S 0.00000 -0.00012 -0.00076 -0.00013 -0.00008 137 2S -0.00013 0.00334 0.01622 0.00271 0.00170 138 2PX -0.00079 0.01724 0.04267 0.00981 0.00628 139 2PY -0.00015 0.00332 0.01120 -0.00060 0.00118 140 2PZ -0.00010 0.00226 0.00760 0.00124 -0.00052 141 3S 0.00053 0.00026 0.02142 0.00348 0.00192 142 3PX -0.00049 0.01175 0.01419 0.00726 0.00457 143 3PY -0.00018 0.00259 0.00636 -0.00076 0.00057 144 3PZ -0.00010 0.00168 0.00476 0.00096 -0.00123 145 4XX -0.00005 0.00151 0.00094 0.00087 0.00061 146 4YY 0.00000 -0.00018 -0.00058 -0.00002 -0.00006 147 4ZZ 0.00000 -0.00023 -0.00050 -0.00012 0.00001 148 4XY -0.00003 0.00060 0.00097 0.00007 0.00021 149 4XZ -0.00002 0.00036 0.00077 0.00025 0.00019 150 4YZ -0.00000 0.00006 0.00024 0.00001 0.00005 151 11 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 152 2S 0.00000 -0.00002 -0.00007 -0.00000 -0.00001 153 2PX 0.00000 -0.00010 -0.00031 0.00001 -0.00005 154 2PY 0.00000 -0.00001 -0.00002 0.00000 -0.00000 155 2PZ 0.00000 -0.00001 -0.00006 0.00000 0.00000 156 3S 0.00002 -0.00049 -0.00136 -0.00025 -0.00004 157 3PX 0.00008 -0.00154 -0.00235 0.00011 -0.00047 158 3PY 0.00000 -0.00010 -0.00032 0.00026 -0.00003 159 3PZ 0.00001 -0.00018 -0.00053 0.00001 -0.00002 160 4XX -0.00000 0.00001 0.00004 -0.00000 0.00001 161 4YY 0.00000 -0.00000 -0.00001 0.00000 -0.00000 162 4ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 163 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 164 4XZ -0.00000 0.00000 0.00002 -0.00000 0.00000 165 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 166 12 H 1S 0.00000 -0.00000 -0.00001 0.00000 -0.00000 167 2S 0.00001 -0.00017 -0.00039 0.00003 -0.00015 168 13 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 169 2S 0.00000 -0.00009 -0.00036 0.00003 -0.00000 170 14 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 171 2S -0.00000 0.00000 0.00000 0.00000 0.00000 172 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 173 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 174 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 175 3S -0.00000 0.00001 0.00003 -0.00000 0.00000 176 3PX -0.00000 0.00004 0.00012 0.00000 0.00001 177 3PY -0.00000 0.00000 0.00000 -0.00000 0.00000 178 3PZ -0.00000 0.00000 0.00001 -0.00000 -0.00000 179 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 180 4YY -0.00000 -0.00000 0.00000 0.00000 -0.00000 181 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 182 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 183 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 184 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 185 15 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 186 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 187 16 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 188 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 189 17 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 190 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 191 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 192 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 193 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 194 3S -0.00000 0.00000 0.00000 0.00000 0.00000 195 3PX -0.00000 -0.00000 0.00000 0.00000 0.00000 196 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 197 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 198 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 199 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 200 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 201 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 202 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 204 18 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 205 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 206 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 207 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 208 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 209 3S -0.00000 0.00001 0.00004 0.00001 0.00000 210 3PX -0.00000 0.00003 0.00011 0.00003 -0.00000 211 3PY -0.00000 0.00000 0.00002 0.00000 0.00000 212 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 213 4XX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 214 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 215 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 216 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 217 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 218 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 219 19 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 220 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 221 20 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 222 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 223 21 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 224 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 225 22 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 226 2S -0.00000 0.00000 0.00000 0.00000 0.00000 227 23 H 1S 0.00000 -0.00016 -0.00022 -0.00014 -0.00019 228 2S 0.00017 -0.00282 -0.00263 -0.00239 -0.00324 229 24 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 230 2S 0.00000 -0.00014 -0.00040 -0.00007 0.00002 231 25 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 232 2S -0.00000 -0.00000 -0.00001 0.00000 0.00000 233 26 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 234 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 235 27 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 236 2S -0.00000 0.00004 0.00004 0.00024 0.00003 237 28 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 238 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 239 3S 0.00000 0.00000 0.00000 0.00000 0.00000 240 4S -0.00000 0.00000 0.00000 0.00000 0.00000 241 5S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 242 6S 0.00000 -0.00004 -0.00002 -0.00003 -0.00006 243 7PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 244 7PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 245 7PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 246 8PX -0.00000 0.00000 0.00000 0.00000 0.00000 247 8PY -0.00000 0.00000 0.00000 0.00000 0.00000 248 8PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 249 9PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 250 9PY 0.00000 -0.00001 -0.00001 -0.00005 -0.00002 251 9PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 252 10PX 0.00000 -0.00004 0.00001 -0.00016 0.00002 253 10PY 0.00003 -0.00039 -0.00032 -0.00173 -0.00088 254 10PZ -0.00000 0.00005 0.00002 0.00001 0.00002 255 11XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 256 11YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 257 11ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 258 11XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 259 11XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 260 11YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 261 12XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 262 12YY -0.00000 0.00000 0.00000 0.00002 0.00001 263 12ZZ 0.00000 -0.00000 -0.00000 -0.00002 -0.00000 264 12XY -0.00000 0.00000 0.00000 0.00001 0.00000 265 12XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 266 12YZ 0.00000 -0.00001 -0.00001 -0.00004 0.00000 267 29 C 1S 0.00000 -0.00009 -0.00001 -0.00030 -0.00060 268 2S -0.00011 0.00288 0.00027 0.00657 0.01269 269 2PX -0.00001 0.00024 0.00039 0.00037 0.00069 270 2PY -0.00030 0.00677 0.00039 0.00358 0.01928 271 2PZ -0.00061 0.01371 0.00073 0.02046 0.02807 272 3S 0.00045 -0.00114 0.00055 0.01057 0.01982 273 3PX -0.00002 0.00021 0.00005 0.00035 0.00067 274 3PY -0.00023 0.00440 0.00032 -0.00241 0.01394 275 3PZ -0.00057 0.00895 0.00050 0.01441 0.00930 276 4XX 0.00000 -0.00020 0.00001 -0.00022 -0.00035 277 4YY -0.00000 0.00004 -0.00000 -0.00030 0.00060 278 4ZZ -0.00004 0.00099 0.00002 0.00141 -0.00062 279 4XY -0.00000 0.00002 0.00032 0.00000 0.00012 280 4XZ -0.00000 0.00003 0.00058 0.00010 0.00003 281 4YZ -0.00005 0.00108 0.00009 0.00016 0.00155 282 30 H 1S 0.00000 -0.00009 -0.00005 -0.00018 -0.00021 283 2S 0.00010 -0.00173 -0.00118 -0.00293 -0.00293 284 31 H 1S 0.00000 -0.00009 -0.00002 -0.00001 -0.00042 285 2S 0.00008 -0.00149 -0.00053 0.00005 -0.00661 286 32 H 1S 0.00000 -0.00013 -0.00008 -0.00024 -0.00006 287 2S 0.00014 -0.00247 -0.00143 -0.00350 -0.00053 288 33 H 1S 0.00000 -0.00015 -0.00005 -0.00001 -0.00047 289 2S 0.00014 -0.00256 -0.00062 -0.00004 -0.00693 290 34 H 1S 0.00000 -0.00013 -0.00000 -0.00031 -0.00015 291 2S 0.00016 -0.00247 0.00001 -0.00470 -0.00190 292 35 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 293 2S 0.00000 -0.00006 -0.00013 -0.00014 -0.00000 294 36 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 295 2S -0.00000 0.00006 0.00012 0.00009 0.00007 296 37 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 297 2S 0.00000 0.00001 0.00001 -0.00000 -0.00000 298 38 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 299 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 300 39 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 301 2S -0.00000 0.00004 -0.00004 0.00000 -0.00028 302 40 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 303 2S -0.00000 0.00004 0.00018 0.00009 0.00004 66 67 68 69 70 66 3S 0.37946 67 3PX 0.00000 0.07498 68 3PY 0.00000 0.00000 0.06310 69 3PZ 0.00000 0.00000 -0.00000 0.08119 70 4XX -0.00285 0.00000 0.00000 0.00000 0.00112 71 4YY -0.00407 0.00000 0.00000 0.00000 -0.00000 72 4ZZ -0.00295 0.00000 0.00000 0.00000 -0.00015 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 75 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00023 -0.00075 -0.00020 -0.00027 -0.00001 77 2S 0.00132 0.00712 0.00779 0.00189 0.00023 78 2PX 0.00856 -0.00090 0.01074 0.00173 -0.00054 79 2PY 0.00817 0.01005 0.00095 0.00253 0.00044 80 2PZ 0.00175 0.00241 0.00186 0.00324 0.00019 81 3S -0.03009 0.00890 0.00901 0.00090 0.00095 82 3PX -0.00181 0.00077 0.00832 0.00064 -0.00046 83 3PY -0.00607 0.00715 -0.00012 0.00128 0.00015 84 3PZ -0.00085 0.00120 0.00040 0.00656 0.00028 85 4XX 0.00059 -0.00080 0.00075 0.00010 0.00002 86 4YY 0.00084 0.00084 -0.00095 0.00023 -0.00012 87 4ZZ -0.00038 -0.00003 -0.00014 -0.00023 0.00000 88 4XY 0.00078 -0.00003 0.00006 0.00016 -0.00002 89 4XZ 0.00009 -0.00000 0.00009 0.00025 0.00001 90 4YZ 0.00019 0.00007 0.00002 0.00030 -0.00000 91 7 C 1S 0.00000 0.00001 0.00001 0.00002 0.00000 92 2S -0.00050 -0.00013 -0.00125 -0.00025 -0.00000 93 2PX -0.00023 0.00016 -0.00029 -0.00001 -0.00000 94 2PY -0.00157 -0.00046 -0.00225 -0.00027 -0.00001 95 2PZ -0.00029 0.00001 -0.00110 -0.00004 -0.00000 96 3S -0.00082 -0.00002 -0.00639 -0.00138 -0.00005 97 3PX -0.00075 0.00084 -0.00006 -0.00009 0.00000 98 3PY -0.00336 -0.00034 -0.00554 -0.00076 -0.00016 99 3PZ -0.00019 0.00019 -0.00148 -0.00072 -0.00001 100 4XX -0.00001 -0.00000 -0.00007 0.00000 0.00000 101 4YY 0.00009 0.00001 0.00030 0.00005 -0.00000 102 4ZZ 0.00000 0.00001 -0.00008 -0.00000 0.00000 103 4XY 0.00002 -0.00003 0.00004 0.00001 -0.00000 104 4XZ 0.00000 -0.00000 0.00001 0.00000 -0.00000 105 4YZ -0.00000 0.00000 0.00004 0.00000 -0.00000 106 8 C 1S 0.00000 0.00000 0.00001 0.00000 -0.00000 107 2S -0.00008 0.00001 -0.00021 0.00001 0.00000 108 2PX -0.00012 0.00000 -0.00020 -0.00003 0.00000 109 2PY -0.00056 0.00016 -0.00071 0.00013 0.00000 110 2PZ -0.00013 -0.00003 -0.00022 0.00000 0.00000 111 3S -0.00014 0.00007 -0.00156 0.00030 0.00001 112 3PX -0.00010 0.00001 -0.00041 0.00009 0.00000 113 3PY -0.00197 0.00013 -0.00143 0.00042 0.00001 114 3PZ -0.00052 0.00002 -0.00070 0.00004 0.00000 115 4XX -0.00000 0.00001 -0.00001 -0.00001 -0.00000 116 4YY -0.00000 -0.00004 0.00004 0.00001 -0.00000 117 4ZZ 0.00001 0.00000 0.00000 -0.00000 0.00000 118 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 119 4XZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 120 4YZ -0.00001 0.00000 -0.00001 0.00000 0.00000 121 9 C 1S 0.00002 0.00008 0.00001 0.00001 -0.00000 122 2S -0.00042 -0.00100 -0.00036 -0.00002 0.00000 123 2PX -0.00167 -0.00147 -0.00029 0.00080 0.00001 124 2PY -0.00089 -0.00257 0.00021 0.00025 0.00001 125 2PZ 0.00012 0.00035 -0.00032 -0.00010 0.00000 126 3S -0.00069 -0.00365 -0.00073 -0.00010 0.00001 127 3PX -0.00420 -0.00154 0.00006 0.00182 0.00005 128 3PY -0.00254 -0.00340 0.00015 0.00036 0.00004 129 3PZ 0.00022 0.00015 -0.00077 -0.00008 0.00001 130 4XX 0.00011 0.00027 0.00004 -0.00001 -0.00000 131 4YY 0.00003 0.00004 0.00001 0.00000 0.00000 132 4ZZ -0.00006 -0.00021 -0.00001 -0.00000 -0.00000 133 4XY 0.00008 0.00013 0.00003 -0.00000 0.00000 134 4XZ -0.00001 -0.00003 0.00001 -0.00001 0.00000 135 4YZ -0.00000 0.00001 -0.00001 -0.00001 0.00000 136 10 C 1S 0.00013 -0.00039 -0.00016 -0.00004 -0.00005 137 2S 0.00403 0.00932 0.00255 0.00090 0.00132 138 2PX 0.02582 0.01214 0.00722 0.00443 -0.00007 139 2PY 0.00480 0.00890 -0.00012 0.00068 0.00087 140 2PZ 0.00457 0.00614 0.00089 0.00218 0.00049 141 3S -0.00896 0.00599 0.00202 0.00074 0.00242 142 3PX 0.01284 0.00214 0.00509 0.00384 0.00027 143 3PY 0.00396 0.00563 -0.00057 0.00027 0.00067 144 3PZ 0.00323 0.00396 0.00054 0.00053 0.00043 145 4XX 0.00297 0.00114 0.00058 0.00050 0.00002 146 4YY -0.00082 -0.00065 -0.00031 -0.00010 -0.00002 147 4ZZ -0.00105 -0.00127 -0.00004 -0.00019 -0.00004 148 4XY 0.00050 0.00016 0.00005 0.00004 -0.00002 149 4XZ 0.00028 0.00016 0.00006 0.00024 0.00002 150 4YZ 0.00002 -0.00001 -0.00000 -0.00002 -0.00003 151 11 C 1S 0.00002 0.00008 0.00001 0.00001 -0.00000 152 2S -0.00060 -0.00088 -0.00000 -0.00022 0.00001 153 2PX -0.00327 -0.00160 0.00088 -0.00092 0.00004 154 2PY 0.00019 0.00033 0.00014 -0.00002 0.00001 155 2PZ -0.00063 -0.00076 0.00020 -0.00014 0.00001 156 3S -0.00273 -0.00237 -0.00024 -0.00007 0.00011 157 3PX -0.00907 -0.00188 0.00168 -0.00174 0.00025 158 3PY 0.00022 0.00046 0.00085 0.00002 0.00004 159 3PZ -0.00173 -0.00106 0.00036 -0.00080 0.00003 160 4XX 0.00019 0.00036 -0.00003 0.00005 0.00000 161 4YY -0.00006 -0.00016 0.00001 -0.00002 -0.00000 162 4ZZ -0.00002 -0.00005 0.00001 0.00000 -0.00000 163 4XY -0.00003 -0.00003 -0.00002 0.00001 0.00000 164 4XZ 0.00006 0.00011 -0.00001 -0.00000 0.00000 165 4YZ -0.00000 0.00001 -0.00000 0.00000 0.00000 166 12 H 1S -0.00028 -0.00023 0.00005 -0.00060 -0.00000 167 2S -0.00167 -0.00092 0.00017 -0.00233 -0.00002 168 13 H 1S -0.00030 -0.00069 0.00014 0.00001 -0.00000 169 2S -0.00202 -0.00329 0.00054 0.00005 -0.00005 170 14 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 171 2S 0.00002 0.00003 0.00000 0.00000 -0.00000 172 2PX 0.00008 0.00012 0.00001 0.00002 -0.00000 173 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 174 2PZ 0.00001 0.00001 0.00000 -0.00000 -0.00000 175 3S 0.00025 0.00046 0.00000 0.00004 -0.00000 176 3PX 0.00100 0.00106 0.00004 0.00012 -0.00000 177 3PY 0.00001 0.00001 -0.00003 0.00000 -0.00000 178 3PZ 0.00008 0.00006 0.00000 -0.00001 -0.00000 179 4XX -0.00000 -0.00000 0.00000 -0.00000 0.00000 180 4YY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 181 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 182 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 183 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 184 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 185 15 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 186 2S -0.00004 -0.00006 0.00001 -0.00001 0.00000 187 16 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 188 2S -0.00002 -0.00002 -0.00001 0.00005 -0.00000 189 17 C 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 190 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 191 2PX 0.00000 0.00000 0.00000 -0.00000 0.00000 192 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 193 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 194 3S 0.00001 0.00005 0.00000 -0.00000 0.00000 195 3PX 0.00000 0.00003 0.00002 -0.00000 0.00000 196 3PY -0.00001 -0.00001 0.00000 -0.00000 0.00000 197 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 198 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 199 4YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 200 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 201 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 202 4XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 203 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 204 18 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 205 2S 0.00001 0.00003 0.00000 -0.00000 0.00000 206 2PX 0.00005 0.00012 -0.00001 -0.00000 -0.00000 207 2PY 0.00001 0.00004 -0.00000 -0.00000 -0.00000 208 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 209 3S 0.00013 0.00058 0.00008 0.00000 0.00000 210 3PX 0.00062 0.00115 0.00008 -0.00001 -0.00000 211 3PY 0.00009 0.00029 -0.00002 -0.00000 -0.00000 212 3PZ -0.00000 -0.00000 0.00000 0.00001 0.00000 213 4XX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 214 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 215 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 216 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 217 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 218 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 219 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 220 2S -0.00001 -0.00007 0.00004 0.00000 -0.00000 221 20 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 222 2S -0.00003 -0.00007 -0.00001 0.00001 -0.00000 223 21 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 224 2S -0.00001 -0.00001 -0.00000 0.00000 0.00000 225 22 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 226 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 227 23 H 1S -0.00336 -0.00419 -0.00040 0.00052 -0.00002 228 2S -0.01260 -0.00982 -0.00250 -0.00097 -0.00043 229 24 H 1S -0.00022 -0.00094 0.00012 -0.00012 -0.00000 230 2S -0.00169 -0.00435 0.00036 -0.00053 -0.00004 231 25 H 1S 0.00001 -0.00001 0.00002 -0.00000 -0.00000 232 2S 0.00009 -0.00014 0.00030 0.00000 -0.00000 233 26 H 1S 0.00001 0.00000 0.00001 -0.00000 0.00000 234 2S 0.00018 0.00004 0.00005 -0.00007 -0.00000 235 27 H 1S 0.00004 0.00002 0.00013 -0.00000 0.00000 236 2S 0.00030 0.00022 0.00130 0.00010 0.00000 237 28 Br 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 238 2S -0.00001 0.00000 -0.00001 0.00001 -0.00000 239 3S 0.00002 0.00000 0.00002 -0.00002 0.00000 240 4S 0.00005 0.00000 0.00005 -0.00006 0.00000 241 5S 0.00003 -0.00009 -0.00020 -0.00008 0.00000 242 6S -0.00023 -0.00006 0.00097 -0.00014 -0.00000 243 7PX 0.00000 -0.00000 0.00000 0.00000 0.00000 244 7PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 245 7PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 246 8PX 0.00000 -0.00000 0.00001 -0.00001 -0.00000 247 8PY 0.00004 -0.00000 0.00011 0.00002 -0.00000 248 8PZ -0.00001 -0.00000 -0.00000 0.00000 -0.00000 249 9PX -0.00013 -0.00000 -0.00037 0.00026 0.00000 250 9PY -0.00134 -0.00007 -0.00230 -0.00021 -0.00000 251 9PZ 0.00013 0.00010 -0.00008 0.00000 0.00000 252 10PX -0.00071 -0.00002 -0.00129 0.00099 0.00000 253 10PY -0.00773 -0.00030 -0.00734 -0.00102 -0.00002 254 10PZ 0.00074 0.00029 0.00011 0.00048 0.00000 255 11XX -0.00002 -0.00000 -0.00001 0.00003 -0.00000 256 11YY -0.00003 0.00000 -0.00004 0.00002 -0.00000 257 11ZZ -0.00002 0.00000 -0.00001 0.00002 -0.00000 258 11XY 0.00000 0.00000 0.00000 -0.00000 0.00000 259 11XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 260 11YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 261 12XX -0.00007 -0.00000 -0.00014 0.00005 -0.00000 262 12YY -0.00036 -0.00003 -0.00030 0.00028 0.00000 263 12ZZ -0.00004 -0.00002 -0.00028 0.00001 -0.00000 264 12XY -0.00003 -0.00001 0.00000 0.00004 -0.00000 265 12XZ -0.00002 0.00000 -0.00004 -0.00000 -0.00000 266 12YZ -0.00010 -0.00003 -0.00029 -0.00000 -0.00000 267 29 C 1S -0.00038 -0.00000 -0.00018 -0.00087 0.00000 268 2S 0.00323 0.00016 0.00387 0.01002 -0.00022 269 2PX 0.00048 0.00479 0.00024 0.00052 0.00001 270 2PY 0.00943 0.00030 -0.00112 0.01256 -0.00024 271 2PZ 0.01909 0.00004 0.01123 0.00881 -0.00044 272 3S -0.00809 0.00009 0.00508 0.01326 -0.00114 273 3PX 0.00046 0.00481 0.00030 0.00052 -0.00003 274 3PY 0.00377 0.00015 -0.00364 0.00954 -0.00053 275 3PZ 0.01108 -0.00019 0.00819 0.00006 -0.00105 276 4XX -0.00095 -0.00003 -0.00027 -0.00081 0.00001 277 4YY -0.00006 0.00003 -0.00041 0.00053 0.00000 278 4ZZ 0.00191 0.00003 0.00075 -0.00034 -0.00001 279 4XY -0.00000 0.00012 -0.00000 0.00002 0.00000 280 4XZ 0.00001 0.00030 0.00002 0.00001 0.00000 281 4YZ 0.00072 0.00001 -0.00003 0.00022 -0.00001 282 30 H 1S -0.00135 0.00054 -0.00114 -0.00192 0.00000 283 2S -0.00471 -0.00027 -0.00456 -0.00547 0.00016 284 31 H 1S -0.00158 0.00021 -0.00029 -0.00345 0.00000 285 2S -0.00467 -0.00023 -0.00032 -0.01108 0.00004 286 32 H 1S -0.00237 0.00016 -0.00076 -0.00119 0.00000 287 2S -0.01034 -0.00111 -0.00258 -0.00233 0.00008 288 33 H 1S -0.00235 -0.00033 -0.00059 -0.00287 -0.00000 289 2S -0.00917 -0.00055 -0.00099 -0.01015 -0.00015 290 34 H 1S -0.00299 -0.00018 0.00002 -0.00143 -0.00000 291 2S -0.01187 -0.00027 -0.00178 -0.00369 -0.00008 292 35 H 1S -0.00015 0.00015 -0.00054 -0.00000 0.00000 293 2S -0.00125 0.00021 -0.00245 -0.00001 -0.00001 294 36 H 1S 0.00007 0.00003 0.00008 0.00009 -0.00000 295 2S 0.00097 0.00055 0.00089 0.00080 -0.00001 296 37 H 1S -0.00003 -0.00008 0.00001 0.00004 -0.00000 297 2S -0.00051 -0.00048 0.00007 0.00025 -0.00000 298 38 H 1S 0.00000 0.00001 -0.00000 0.00000 0.00000 299 2S 0.00010 0.00022 -0.00001 0.00000 0.00000 300 39 H 1S -0.00025 -0.00028 -0.00002 -0.00066 0.00000 301 2S -0.00150 -0.00105 -0.00004 -0.00230 -0.00001 302 40 H 1S 0.00007 0.00010 0.00009 0.00004 -0.00000 303 2S 0.00071 0.00119 0.00083 0.00039 -0.00001 71 72 73 74 75 71 4YY 0.00097 72 4ZZ -0.00007 0.00144 73 4XY -0.00000 0.00000 0.00141 74 4XZ -0.00000 0.00000 0.00000 0.00098 75 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00103 76 6 C 1S -0.00003 0.00000 -0.00010 -0.00002 -0.00003 77 2S 0.00071 -0.00038 0.00169 0.00031 0.00045 78 2PX 0.00140 -0.00031 0.00069 0.00009 0.00058 79 2PY -0.00034 -0.00046 0.00161 0.00051 0.00014 80 2PZ 0.00018 0.00002 0.00053 0.00006 -0.00001 81 3S 0.00155 -0.00148 0.00127 0.00018 0.00026 82 3PX 0.00113 -0.00067 -0.00006 -0.00002 0.00011 83 3PY -0.00013 -0.00022 0.00008 0.00007 0.00002 84 3PZ 0.00029 -0.00036 0.00013 0.00012 -0.00004 85 4XX -0.00005 -0.00001 -0.00002 0.00001 -0.00003 86 4YY 0.00000 0.00004 -0.00003 -0.00004 -0.00001 87 4ZZ -0.00001 0.00000 -0.00004 0.00000 0.00000 88 4XY -0.00003 -0.00002 0.00005 0.00002 -0.00001 89 4XZ 0.00001 0.00001 0.00001 -0.00000 -0.00001 90 4YZ 0.00001 0.00000 0.00000 0.00001 -0.00002 91 7 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 92 2S 0.00001 0.00000 -0.00000 -0.00000 0.00000 93 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 94 2PY 0.00004 0.00000 -0.00000 -0.00000 0.00002 95 2PZ 0.00001 0.00000 0.00000 -0.00000 -0.00000 96 3S 0.00002 0.00006 -0.00002 -0.00001 0.00003 97 3PX 0.00001 -0.00001 -0.00002 -0.00000 -0.00000 98 3PY 0.00023 0.00011 -0.00005 -0.00002 0.00009 99 3PZ 0.00004 0.00001 -0.00000 0.00000 0.00000 100 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 101 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 102 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 103 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 104 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 105 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 106 8 C 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 107 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 108 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 109 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 110 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 111 3S -0.00002 0.00001 -0.00001 -0.00000 -0.00000 112 3PX -0.00001 0.00000 0.00000 0.00000 -0.00001 113 3PY -0.00005 0.00002 -0.00002 -0.00001 0.00000 114 3PZ -0.00002 0.00000 -0.00000 -0.00000 0.00000 115 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 116 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 117 4ZZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 118 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 120 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 121 9 C 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 122 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 123 2PX 0.00000 -0.00000 0.00002 0.00001 0.00000 124 2PY 0.00000 -0.00000 0.00001 0.00001 0.00000 125 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 126 3S 0.00002 -0.00000 0.00003 0.00004 0.00001 127 3PX 0.00001 -0.00000 0.00006 0.00004 0.00002 128 3PY 0.00003 -0.00002 0.00002 0.00004 0.00001 129 3PZ 0.00001 -0.00000 0.00001 -0.00004 -0.00001 130 4XX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 131 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 132 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 133 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 134 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 135 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 136 10 C 1S 0.00000 0.00000 -0.00003 -0.00002 -0.00000 137 2S -0.00015 -0.00024 0.00056 0.00033 0.00006 138 2PX -0.00019 -0.00046 0.00114 0.00046 0.00030 139 2PY -0.00003 -0.00014 0.00008 0.00020 0.00001 140 2PZ -0.00003 0.00001 0.00025 0.00029 0.00006 141 3S -0.00036 -0.00101 0.00042 0.00025 0.00007 142 3PX -0.00002 -0.00098 0.00018 0.00009 0.00008 143 3PY -0.00035 -0.00007 0.00017 0.00004 0.00001 144 3PZ 0.00001 -0.00027 0.00007 0.00027 0.00003 145 4XX -0.00002 -0.00005 -0.00002 0.00000 -0.00002 146 4YY -0.00000 0.00001 0.00000 -0.00001 0.00000 147 4ZZ 0.00001 0.00001 -0.00000 -0.00000 -0.00000 148 4XY 0.00000 -0.00001 -0.00001 -0.00003 -0.00000 149 4XZ -0.00001 0.00000 -0.00002 -0.00001 -0.00000 150 4YZ 0.00000 -0.00000 -0.00000 -0.00001 0.00000 151 11 C 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 152 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 153 2PX -0.00000 -0.00000 0.00001 0.00001 0.00000 154 2PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 155 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 156 3S 0.00000 -0.00003 0.00003 0.00002 0.00001 157 3PX -0.00004 -0.00004 0.00007 0.00005 0.00001 158 3PY -0.00000 -0.00001 -0.00004 0.00001 -0.00001 159 3PZ -0.00001 0.00000 0.00001 -0.00000 -0.00000 160 4XX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 161 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 162 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 163 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 164 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 165 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 166 12 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 167 2S 0.00002 0.00000 -0.00000 -0.00002 0.00001 168 13 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 169 2S 0.00001 0.00001 -0.00000 0.00000 -0.00000 170 14 C 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 171 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 172 2PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 173 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 174 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 175 3S 0.00000 -0.00000 0.00000 -0.00000 0.00000 176 3PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 177 3PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 178 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XX -0.00000 0.00000 -0.00000 0.00000 -0.00000 180 4YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 181 4ZZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 182 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 183 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 184 4YZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 185 15 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 186 2S -0.00000 0.00000 0.00000 0.00000 0.00000 187 16 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 188 2S 0.00000 0.00000 0.00000 0.00000 0.00000 189 17 C 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 190 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 191 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 192 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 193 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 194 3S -0.00000 -0.00000 0.00000 -0.00000 0.00000 195 3PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 196 3PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 197 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 198 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 199 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 200 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 201 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 202 4XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 203 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 204 18 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 205 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 206 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 207 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 208 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 209 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 210 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 211 3PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 212 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 213 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 214 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 215 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 216 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 218 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 219 19 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 220 2S 0.00000 0.00000 0.00000 0.00000 0.00000 221 20 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 21 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 224 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 225 22 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 226 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 227 23 H 1S 0.00001 0.00003 0.00002 0.00004 0.00004 228 2S 0.00013 0.00053 0.00001 0.00011 0.00016 229 24 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 230 2S 0.00001 0.00003 -0.00000 -0.00001 -0.00000 231 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 232 2S 0.00000 0.00000 0.00000 0.00000 0.00000 233 26 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 234 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 235 27 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 236 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 237 28 Br 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 238 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 239 3S 0.00000 0.00000 -0.00000 0.00000 -0.00000 240 4S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 241 5S -0.00000 0.00000 -0.00000 0.00000 -0.00000 242 6S -0.00002 0.00002 -0.00001 -0.00000 0.00000 243 7PX 0.00000 0.00000 -0.00000 0.00000 0.00000 244 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 245 7PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 246 8PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 247 8PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 248 8PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 249 9PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 250 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 251 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 252 10PX -0.00001 0.00000 0.00000 -0.00000 -0.00000 253 10PY 0.00002 0.00006 0.00001 0.00002 0.00011 254 10PZ -0.00001 0.00001 0.00000 0.00000 -0.00000 255 11XX -0.00000 -0.00000 0.00000 -0.00000 0.00000 256 11YY -0.00000 0.00000 0.00000 -0.00000 0.00000 257 11ZZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 258 11XY 0.00000 0.00000 -0.00000 0.00000 0.00000 259 11XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 260 11YZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 261 12XX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 262 12YY 0.00000 -0.00000 0.00000 0.00000 -0.00000 263 12ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 264 12XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 265 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 12YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 267 29 C 1S -0.00000 -0.00004 -0.00000 -0.00000 -0.00005 268 2S -0.00003 0.00113 0.00001 0.00002 0.00112 269 2PX -0.00002 0.00006 0.00035 0.00063 0.00005 270 2PY -0.00041 0.00194 -0.00002 0.00002 0.00001 271 2PZ 0.00004 0.00023 0.00004 -0.00003 0.00140 272 3S -0.00019 0.00263 0.00000 0.00001 0.00087 273 3PX -0.00002 0.00009 0.00026 0.00049 0.00002 274 3PY -0.00080 0.00197 0.00000 0.00000 -0.00002 275 3PZ 0.00013 0.00054 0.00000 -0.00000 0.00023 276 4XX 0.00001 -0.00002 -0.00000 0.00000 0.00000 277 4YY 0.00001 -0.00004 0.00000 -0.00000 -0.00000 278 4ZZ -0.00009 0.00005 -0.00002 0.00001 -0.00004 279 4XY 0.00000 -0.00001 -0.00002 -0.00002 -0.00000 280 4XZ -0.00001 0.00001 -0.00001 -0.00003 -0.00001 281 4YZ -0.00001 -0.00002 -0.00000 -0.00002 0.00005 282 30 H 1S 0.00001 -0.00000 0.00001 0.00002 0.00002 283 2S 0.00010 -0.00021 0.00007 0.00010 0.00004 284 31 H 1S -0.00000 0.00005 -0.00000 0.00001 -0.00000 285 2S -0.00015 0.00033 -0.00000 0.00007 -0.00005 286 32 H 1S 0.00005 -0.00001 0.00004 0.00001 0.00002 287 2S 0.00044 -0.00029 0.00018 0.00003 0.00000 288 33 H 1S -0.00001 0.00011 -0.00000 0.00001 -0.00000 289 2S -0.00019 0.00086 -0.00001 0.00001 -0.00004 290 34 H 1S 0.00005 -0.00000 -0.00000 -0.00000 0.00006 291 2S 0.00054 -0.00017 -0.00001 -0.00001 0.00018 292 35 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 293 2S -0.00001 0.00002 -0.00002 -0.00000 -0.00000 294 36 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 295 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 296 37 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 297 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 298 38 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 299 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 300 39 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 301 2S 0.00000 0.00001 -0.00000 -0.00001 0.00000 302 40 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 303 2S 0.00000 -0.00000 0.00001 0.00000 0.00000 76 77 78 79 80 76 6 C 1S 2.05930 77 2S -0.01697 0.37195 78 2PX 0.00000 0.00000 0.46968 79 2PY 0.00000 0.00000 0.00000 0.39610 80 2PZ 0.00000 0.00000 -0.00000 0.00000 0.24506 81 3S -0.04103 0.29703 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.09171 -0.00000 -0.00000 83 3PY 0.00000 0.00000 -0.00000 0.07195 0.00000 84 3PZ 0.00000 0.00000 -0.00000 0.00000 0.07528 85 4XX -0.00118 -0.00329 0.00000 0.00000 0.00000 86 4YY -0.00113 -0.00453 0.00000 0.00000 0.00000 87 4ZZ -0.00080 -0.01116 0.00000 0.00000 0.00000 88 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 90 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 91 7 C 1S 0.00000 -0.00027 -0.00027 -0.00134 -0.00019 92 2S -0.00026 0.00663 0.00463 0.02430 0.00349 93 2PX -0.00021 0.00407 -0.00086 0.01289 0.00137 94 2PY -0.00150 0.02797 0.01525 0.05098 0.01381 95 2PZ -0.00010 0.00173 0.00085 0.00895 0.00274 96 3S 0.00092 -0.00410 0.00694 0.02524 0.00515 97 3PX 0.00000 0.00075 0.00124 0.00519 0.00098 98 3PY -0.00057 0.01217 0.00720 0.01360 0.00735 99 3PZ -0.00001 0.00026 0.00032 0.00293 0.00387 100 4XX 0.00001 -0.00042 -0.00003 -0.00070 -0.00003 101 4YY -0.00011 0.00220 0.00136 0.00025 0.00080 102 4ZZ 0.00000 -0.00040 -0.00011 -0.00028 0.00004 103 4XY -0.00007 0.00101 0.00015 0.00175 0.00045 104 4XZ -0.00001 0.00009 0.00002 0.00043 0.00009 105 4YZ -0.00003 0.00042 0.00040 0.00061 0.00021 106 8 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 -0.00002 -0.00006 -0.00004 -0.00001 108 2PX 0.00000 -0.00009 -0.00020 -0.00016 -0.00001 109 2PY 0.00000 -0.00006 -0.00010 -0.00009 -0.00001 110 2PZ 0.00000 -0.00001 -0.00001 -0.00003 -0.00000 111 3S 0.00001 -0.00041 -0.00204 -0.00050 -0.00010 112 3PX 0.00006 -0.00123 -0.00285 -0.00114 -0.00000 113 3PY 0.00004 -0.00081 -0.00087 -0.00077 -0.00012 114 3PZ 0.00001 -0.00015 -0.00038 -0.00028 -0.00018 115 4XX 0.00000 -0.00000 -0.00000 -0.00001 0.00000 116 4YY -0.00000 0.00000 0.00001 0.00000 0.00000 117 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 118 4XY -0.00000 0.00001 0.00002 0.00002 0.00001 119 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 120 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 121 9 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 123 2PX 0.00000 -0.00001 -0.00003 -0.00000 -0.00000 124 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 125 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 126 3S 0.00000 -0.00011 -0.00032 -0.00000 -0.00001 127 3PX 0.00002 -0.00041 -0.00039 -0.00001 0.00001 128 3PY -0.00000 0.00003 0.00009 -0.00010 0.00000 129 3PZ -0.00000 0.00001 -0.00000 0.00001 0.00003 130 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 131 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 132 4ZZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 133 4XY -0.00000 0.00000 -0.00000 -0.00000 0.00000 134 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 135 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 10 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 137 2S 0.00000 -0.00002 -0.00011 -0.00002 -0.00001 138 2PX 0.00000 -0.00014 -0.00045 -0.00008 -0.00004 139 2PY 0.00000 -0.00000 0.00000 0.00000 -0.00001 140 2PZ 0.00000 -0.00002 -0.00009 -0.00002 0.00002 141 3S 0.00001 -0.00052 -0.00323 -0.00012 -0.00008 142 3PX 0.00006 -0.00149 -0.00292 -0.00034 0.00031 143 3PY 0.00002 -0.00014 0.00060 -0.00002 -0.00003 144 3PZ 0.00001 -0.00029 -0.00095 -0.00008 -0.00009 145 4XX -0.00000 0.00001 0.00003 0.00000 0.00002 146 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 147 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 148 4XY -0.00000 0.00000 0.00002 -0.00000 0.00000 149 4XZ -0.00000 0.00000 0.00001 0.00000 0.00000 150 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 151 11 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 152 2S -0.00000 0.00000 0.00000 0.00000 0.00000 153 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 154 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 155 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 156 3S -0.00000 0.00001 0.00004 0.00001 0.00001 157 3PX -0.00000 0.00002 0.00006 0.00003 0.00001 158 3PY -0.00000 0.00001 0.00005 0.00001 0.00001 159 3PZ -0.00000 0.00000 0.00001 0.00000 0.00000 160 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 161 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 162 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 163 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 164 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 165 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 166 12 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 167 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 168 13 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 169 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 170 14 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 171 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 172 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 173 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 174 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 175 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 176 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 177 3PY -0.00000 0.00000 0.00000 -0.00000 0.00000 178 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 179 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 180 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 181 4ZZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 182 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 183 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 184 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 185 15 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 186 2S -0.00000 0.00000 0.00000 0.00000 0.00000 187 16 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 188 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 189 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 191 2PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 192 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 193 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 194 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 195 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 196 3PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 197 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 198 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 199 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 200 4ZZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 201 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 202 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 203 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 204 18 C 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 205 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 206 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 207 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 208 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 209 3S 0.00000 -0.00000 0.00000 -0.00000 0.00000 210 3PX -0.00000 0.00000 0.00000 0.00000 -0.00000 211 3PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 212 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 213 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 214 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 215 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 216 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 217 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 218 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 219 19 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 220 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 221 20 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 222 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 223 21 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 224 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 225 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 226 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 227 23 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 228 2S 0.00001 -0.00015 -0.00025 -0.00000 -0.00076 229 24 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 230 2S -0.00000 0.00002 0.00004 -0.00000 0.00002 231 25 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 232 2S -0.00000 0.00011 0.00014 0.00016 0.00002 233 26 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 234 2S -0.00000 0.00003 -0.00001 0.00010 -0.00007 235 27 H 1S 0.00000 -0.00016 -0.00000 -0.00058 -0.00008 236 2S 0.00012 -0.00213 -0.00015 -0.00614 -0.00162 237 28 Br 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 238 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 239 3S -0.00000 0.00000 -0.00000 0.00000 -0.00000 240 4S -0.00000 0.00001 -0.00000 0.00001 -0.00000 241 5S 0.00000 -0.00025 0.00000 -0.00017 0.00012 242 6S 0.00027 -0.00345 0.00001 -0.00302 -0.00169 243 7PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 244 7PY -0.00000 -0.00000 0.00000 0.00000 0.00000 245 7PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 246 8PX -0.00000 -0.00000 0.00000 0.00000 0.00000 247 8PY 0.00000 0.00001 -0.00000 -0.00003 -0.00006 248 8PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00002 249 9PX 0.00000 0.00000 -0.00012 -0.00001 -0.00000 250 9PY 0.00000 -0.00081 0.00001 0.00220 0.00557 251 9PZ 0.00000 -0.00025 0.00001 0.00039 0.00195 252 10PX -0.00000 0.00001 -0.00138 -0.00002 -0.00002 253 10PY 0.00041 -0.00856 0.00005 0.00367 0.01621 254 10PZ 0.00028 -0.00293 0.00003 -0.00168 0.00302 255 11XX 0.00000 -0.00000 0.00000 -0.00000 0.00000 256 11YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 257 11ZZ 0.00000 -0.00000 0.00000 -0.00001 0.00000 258 11XY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 259 11XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 260 11YZ 0.00000 -0.00000 0.00000 -0.00002 -0.00000 261 12XX -0.00000 -0.00001 -0.00000 -0.00005 -0.00003 262 12YY -0.00002 0.00049 -0.00000 0.00028 0.00103 263 12ZZ -0.00000 -0.00006 0.00000 0.00101 0.00033 264 12XY -0.00000 -0.00000 0.00028 0.00000 0.00000 265 12XZ 0.00000 -0.00000 0.00009 0.00000 0.00000 266 12YZ -0.00002 0.00073 -0.00000 0.00244 0.00082 267 29 C 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 268 2S 0.00000 -0.00009 -0.00005 -0.00010 0.00005 269 2PX 0.00000 -0.00007 -0.00000 -0.00007 0.00008 270 2PY 0.00000 -0.00032 -0.00015 0.00006 0.00039 271 2PZ 0.00000 -0.00006 -0.00002 0.00002 0.00004 272 3S 0.00015 -0.00263 -0.00093 -0.00160 0.00046 273 3PX 0.00007 -0.00087 0.00001 -0.00060 0.00046 274 3PY 0.00025 -0.00393 -0.00154 -0.00007 0.00171 275 3PZ 0.00007 -0.00094 -0.00024 -0.00067 -0.00041 276 4XX -0.00000 0.00000 0.00000 0.00000 -0.00001 277 4YY -0.00000 0.00002 0.00004 0.00006 -0.00001 278 4ZZ 0.00000 -0.00001 -0.00001 -0.00001 0.00000 279 4XY -0.00000 0.00002 0.00001 0.00005 -0.00000 280 4XZ -0.00000 0.00000 0.00000 0.00001 -0.00000 281 4YZ -0.00000 0.00000 0.00001 0.00002 0.00000 282 30 H 1S 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 283 2S 0.00000 -0.00004 -0.00001 -0.00046 -0.00012 284 31 H 1S 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 285 2S 0.00002 -0.00042 -0.00027 -0.00050 -0.00003 286 32 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 287 2S -0.00000 0.00017 0.00013 0.00022 -0.00004 288 33 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 289 2S 0.00001 -0.00015 -0.00000 0.00001 -0.00068 290 34 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 291 2S -0.00000 0.00010 0.00005 0.00027 0.00010 292 35 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 293 2S 0.00000 0.00001 -0.00001 0.00003 -0.00001 294 36 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 295 2S -0.00000 0.00000 0.00000 -0.00001 0.00001 296 37 H 1S 0.00000 -0.00000 -0.00001 0.00000 -0.00001 297 2S 0.00001 -0.00021 -0.00042 0.00002 -0.00035 298 38 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 299 2S -0.00000 0.00008 0.00030 0.00004 0.00000 300 39 H 1S 0.00000 -0.00031 -0.00051 0.00010 0.00034 301 2S 0.00027 -0.00483 -0.00434 -0.00026 0.00081 302 40 H 1S 0.00000 -0.00014 -0.00055 -0.00001 -0.00007 303 2S 0.00010 -0.00183 -0.00659 -0.00065 -0.00064 81 82 83 84 85 81 3S 0.46419 82 3PX 0.00000 0.07537 83 3PY 0.00000 -0.00000 0.06870 84 3PZ 0.00000 -0.00000 0.00000 0.08265 85 4XX -0.00291 0.00000 0.00000 0.00000 0.00153 86 4YY -0.00542 0.00000 0.00000 0.00000 -0.00028 87 4ZZ -0.00790 0.00000 0.00000 0.00000 0.00001 88 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 89 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 91 7 C 1S 0.00133 0.00030 0.00058 -0.00006 0.00001 92 2S -0.00645 0.00076 0.00347 0.00158 -0.00042 93 2PX 0.00048 0.00171 0.00303 0.00051 -0.00003 94 2PY 0.02644 0.00398 0.00868 0.00691 -0.00093 95 2PZ 0.00103 -0.00002 0.00333 0.00323 -0.00012 96 3S -0.05653 0.00107 -0.01206 0.00388 -0.00125 97 3PX -0.00561 0.00511 0.00074 0.00063 -0.00043 98 3PY 0.00312 0.00175 0.00019 0.00465 -0.00119 99 3PZ -0.00353 -0.00022 0.00045 0.00167 -0.00008 100 4XX -0.00089 -0.00033 -0.00020 -0.00005 0.00001 101 4YY 0.00289 0.00060 -0.00001 0.00067 -0.00005 102 4ZZ -0.00082 -0.00012 -0.00012 -0.00039 -0.00001 103 4XY 0.00057 0.00023 0.00021 0.00011 0.00000 104 4XZ 0.00005 0.00004 0.00011 0.00007 0.00000 105 4YZ 0.00026 0.00005 0.00007 0.00038 -0.00004 106 8 C 1S 0.00000 0.00004 0.00002 0.00001 -0.00000 107 2S -0.00028 -0.00095 -0.00037 -0.00014 0.00000 108 2PX -0.00078 -0.00036 -0.00023 -0.00015 0.00003 109 2PY -0.00167 0.00032 -0.00132 -0.00054 0.00001 110 2PZ -0.00012 0.00017 -0.00039 -0.00016 0.00000 111 3S 0.00031 -0.00422 -0.00015 -0.00042 0.00008 112 3PX -0.00279 -0.00231 0.00122 0.00008 0.00028 113 3PY -0.00425 0.00046 -0.00139 -0.00068 0.00010 114 3PZ -0.00006 0.00019 -0.00076 -0.00082 0.00003 115 4XX -0.00007 0.00006 -0.00014 -0.00002 0.00000 116 4YY 0.00009 0.00002 0.00009 0.00006 -0.00000 117 4ZZ 0.00001 -0.00004 0.00005 -0.00002 -0.00000 118 4XY 0.00007 0.00003 0.00006 0.00004 -0.00000 119 4XZ -0.00001 -0.00000 0.00001 -0.00000 0.00000 120 4YZ -0.00002 0.00000 -0.00001 0.00001 0.00000 121 9 C 1S 0.00001 0.00002 0.00000 0.00000 -0.00000 122 2S -0.00017 -0.00023 -0.00003 -0.00001 -0.00000 123 2PX -0.00114 -0.00090 -0.00022 -0.00004 -0.00000 124 2PY 0.00003 -0.00012 -0.00023 0.00000 -0.00000 125 2PZ -0.00001 -0.00002 0.00000 0.00012 -0.00000 126 3S -0.00097 -0.00174 0.00002 -0.00008 -0.00003 127 3PX -0.00393 -0.00211 -0.00040 -0.00005 -0.00006 128 3PY 0.00026 -0.00012 -0.00082 0.00001 -0.00001 129 3PZ 0.00001 -0.00008 0.00000 0.00055 -0.00000 130 4XX -0.00004 0.00003 -0.00000 -0.00000 0.00000 131 4YY 0.00001 -0.00001 0.00000 -0.00000 -0.00000 132 4ZZ 0.00000 -0.00001 0.00000 0.00000 -0.00000 133 4XY -0.00000 -0.00000 -0.00002 -0.00000 0.00000 134 4XZ -0.00000 -0.00000 0.00000 -0.00001 0.00000 135 4YZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 136 10 C 1S 0.00004 0.00005 0.00002 0.00002 -0.00000 137 2S -0.00099 -0.00125 -0.00026 -0.00027 0.00001 138 2PX -0.00340 0.00062 -0.00168 -0.00077 0.00009 139 2PY -0.00050 -0.00014 0.00020 -0.00021 -0.00001 140 2PZ -0.00038 -0.00049 -0.00032 -0.00017 0.00001 141 3S -0.00398 -0.00621 -0.00079 -0.00051 0.00021 142 3PX -0.00620 0.00101 -0.00237 0.00013 0.00055 143 3PY -0.00137 0.00085 0.00005 -0.00013 -0.00003 144 3PZ -0.00091 -0.00090 -0.00041 -0.00114 0.00010 145 4XX 0.00017 0.00023 -0.00004 0.00015 0.00000 146 4YY -0.00002 -0.00006 0.00002 -0.00000 -0.00000 147 4ZZ -0.00004 -0.00004 0.00000 -0.00005 -0.00000 148 4XY 0.00006 0.00005 -0.00006 0.00001 -0.00000 149 4XZ 0.00001 0.00005 0.00001 -0.00000 0.00000 150 4YZ 0.00001 0.00000 -0.00001 -0.00000 -0.00000 151 11 C 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 152 2S 0.00001 0.00001 0.00001 0.00001 -0.00000 153 2PX 0.00006 0.00002 0.00008 0.00003 -0.00000 154 2PY 0.00002 -0.00001 0.00001 0.00001 -0.00000 155 2PZ 0.00001 0.00002 0.00001 -0.00000 -0.00000 156 3S 0.00018 0.00035 0.00017 0.00017 -0.00000 157 3PX 0.00064 0.00033 0.00070 0.00024 -0.00000 158 3PY 0.00026 0.00015 0.00006 0.00010 -0.00000 159 3PZ 0.00012 0.00021 0.00010 0.00000 -0.00000 160 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 161 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 162 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 163 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 164 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 165 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 166 12 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 167 2S 0.00000 0.00000 -0.00002 0.00004 -0.00000 168 13 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 169 2S -0.00003 0.00011 -0.00001 -0.00002 0.00000 170 14 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 171 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 172 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 173 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 174 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 175 3S -0.00001 -0.00001 -0.00000 0.00000 0.00000 176 3PX -0.00003 -0.00003 -0.00002 -0.00000 0.00000 177 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 178 3PZ -0.00001 -0.00001 -0.00000 -0.00000 0.00000 179 4XX 0.00000 -0.00000 0.00000 0.00000 -0.00000 180 4YY -0.00000 0.00000 -0.00000 -0.00000 0.00000 181 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 183 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 184 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 185 15 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 186 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 187 16 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 188 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 189 17 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 190 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 191 2PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 192 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 193 2PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 194 3S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 195 3PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 196 3PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 197 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 198 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 199 4YY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 200 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 201 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 202 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 203 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 204 18 C 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 205 2S 0.00000 0.00000 0.00000 0.00000 0.00000 206 2PX 0.00001 0.00001 0.00000 0.00000 0.00000 207 2PY 0.00000 0.00000 0.00000 -0.00000 0.00000 208 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 209 3S 0.00001 0.00005 -0.00001 0.00000 0.00000 210 3PX 0.00012 0.00014 0.00005 0.00000 0.00000 211 3PY 0.00001 0.00004 0.00000 -0.00000 0.00000 212 3PZ -0.00000 -0.00000 0.00000 0.00001 0.00000 213 4XX -0.00000 0.00000 -0.00000 0.00000 -0.00000 214 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 215 4ZZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 216 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 217 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 219 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 220 2S 0.00001 0.00001 0.00002 -0.00001 0.00000 221 20 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 222 2S -0.00001 -0.00002 -0.00000 -0.00000 -0.00000 223 21 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 224 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 225 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 226 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 227 23 H 1S -0.00039 -0.00007 0.00000 -0.00108 -0.00000 228 2S -0.00164 -0.00045 0.00000 -0.00455 -0.00002 229 24 H 1S 0.00003 -0.00000 -0.00001 0.00004 -0.00000 230 2S 0.00048 0.00007 -0.00009 0.00045 -0.00000 231 25 H 1S 0.00009 -0.00002 0.00021 0.00002 -0.00000 232 2S 0.00097 0.00009 0.00135 0.00020 -0.00001 233 26 H 1S 0.00002 -0.00010 0.00011 -0.00011 -0.00000 234 2S -0.00006 -0.00043 0.00047 -0.00052 -0.00001 235 27 H 1S -0.00348 0.00002 -0.00504 -0.00140 -0.00000 236 2S -0.00603 -0.00030 -0.01038 -0.00447 -0.00010 237 28 Br 1S -0.00000 0.00000 0.00000 0.00000 0.00000 238 2S 0.00008 -0.00000 -0.00003 -0.00007 -0.00000 239 3S -0.00010 0.00001 0.00015 0.00016 0.00000 240 4S -0.00021 0.00002 0.00051 0.00056 0.00000 241 5S -0.00116 0.00001 -0.00188 -0.00039 -0.00000 242 6S -0.00705 0.00000 -0.00327 -0.00664 0.00008 243 7PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 244 7PY 0.00001 -0.00000 0.00003 0.00003 -0.00000 245 7PZ -0.00001 0.00000 -0.00001 0.00000 -0.00000 246 8PX 0.00000 0.00003 0.00001 0.00000 0.00000 247 8PY -0.00041 -0.00000 -0.00083 -0.00154 0.00000 248 8PZ 0.00037 -0.00000 0.00012 -0.00019 0.00000 249 9PX -0.00002 -0.00037 -0.00010 -0.00000 -0.00000 250 9PY 0.00619 0.00002 0.00913 0.02274 -0.00005 251 9PZ -0.00570 0.00003 -0.00074 0.00221 -0.00001 252 10PX -0.00004 -0.00181 -0.00015 -0.00001 0.00000 253 10PY 0.00948 0.00003 0.00853 0.03371 -0.00067 254 10PZ -0.01445 0.00005 -0.00269 0.00090 -0.00000 255 11XX 0.00026 -0.00001 -0.00002 0.00004 -0.00000 256 11YY -0.00006 -0.00001 -0.00015 -0.00043 -0.00000 257 11ZZ 0.00024 -0.00001 -0.00017 -0.00013 -0.00000 258 11XY -0.00000 -0.00003 0.00000 -0.00000 -0.00000 259 11XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 260 11YZ -0.00006 -0.00000 -0.00007 -0.00006 0.00000 261 12XX 0.00026 -0.00000 -0.00045 -0.00036 0.00000 262 12YY 0.00322 -0.00002 0.00059 0.00223 -0.00003 263 12ZZ -0.00066 -0.00000 0.00003 0.00052 -0.00003 264 12XY -0.00000 0.00038 0.00000 0.00000 -0.00000 265 12XZ -0.00001 0.00017 -0.00001 0.00000 0.00000 266 12YZ 0.00140 0.00001 0.00158 0.00082 -0.00005 267 29 C 1S 0.00012 0.00008 0.00013 -0.00003 -0.00000 268 2S -0.00153 -0.00069 -0.00106 0.00051 -0.00000 269 2PX -0.00186 -0.00002 -0.00152 0.00062 -0.00000 270 2PY -0.00376 -0.00183 -0.00010 0.00287 -0.00000 271 2PZ -0.00111 -0.00041 -0.00003 -0.00039 0.00000 272 3S -0.00856 -0.00267 -0.00456 0.00155 -0.00002 273 3PX -0.00481 0.00001 -0.00227 0.00100 -0.00002 274 3PY -0.00991 -0.00310 -0.00057 0.00421 -0.00006 275 3PZ -0.00350 -0.00079 -0.00093 -0.00197 0.00000 276 4XX 0.00010 0.00004 -0.00000 -0.00008 -0.00000 277 4YY 0.00031 0.00022 0.00022 -0.00003 0.00000 278 4ZZ -0.00020 -0.00013 -0.00012 0.00003 -0.00000 279 4XY 0.00016 0.00001 0.00017 -0.00002 -0.00000 280 4XZ 0.00000 -0.00000 0.00005 -0.00000 -0.00000 281 4YZ -0.00005 0.00001 -0.00001 -0.00001 0.00000 282 30 H 1S -0.00036 0.00001 -0.00102 -0.00012 0.00000 283 2S -0.00126 0.00007 -0.00364 -0.00045 0.00002 284 31 H 1S -0.00005 -0.00033 -0.00003 0.00004 -0.00000 285 2S -0.00077 -0.00117 -0.00017 0.00012 -0.00004 286 32 H 1S 0.00015 0.00009 0.00013 -0.00005 0.00000 287 2S 0.00203 0.00102 0.00152 -0.00033 -0.00000 288 33 H 1S -0.00017 -0.00005 -0.00006 -0.00100 0.00000 289 2S -0.00121 -0.00012 -0.00042 -0.00424 0.00000 290 34 H 1S 0.00011 0.00008 0.00012 0.00006 0.00000 291 2S 0.00170 0.00078 0.00137 0.00092 0.00000 292 35 H 1S -0.00003 -0.00001 -0.00012 -0.00002 0.00000 293 2S -0.00030 -0.00013 -0.00058 -0.00021 0.00000 294 36 H 1S 0.00001 0.00000 -0.00000 0.00001 -0.00000 295 2S 0.00010 0.00009 0.00003 0.00010 -0.00000 296 37 H 1S -0.00014 -0.00063 0.00011 -0.00042 -0.00000 297 2S -0.00108 -0.00280 0.00028 -0.00166 -0.00004 298 38 H 1S 0.00010 0.00031 -0.00004 -0.00002 -0.00000 299 2S 0.00132 0.00269 -0.00032 -0.00007 -0.00000 300 39 H 1S -0.00329 -0.00504 0.00150 0.00097 -0.00001 301 2S -0.01069 -0.00961 0.00125 0.00039 -0.00037 302 40 H 1S -0.00417 -0.00288 0.00057 -0.00041 0.00008 303 2S -0.00964 -0.00918 -0.00007 -0.00110 0.00026 86 87 88 89 90 86 4YY 0.00160 87 4ZZ 0.00011 0.00104 88 4XY 0.00000 -0.00000 0.00138 89 4XZ 0.00000 -0.00000 0.00000 0.00081 90 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00152 91 7 C 1S -0.00010 0.00000 -0.00006 -0.00001 -0.00003 92 2S 0.00185 -0.00017 0.00093 0.00014 0.00049 93 2PX 0.00137 -0.00001 0.00016 0.00001 0.00026 94 2PY 0.00029 -0.00070 0.00163 0.00036 0.00081 95 2PZ 0.00084 0.00002 0.00027 0.00005 0.00069 96 3S 0.00341 -0.00017 0.00058 0.00008 0.00036 97 3PX 0.00081 0.00003 0.00030 0.00000 0.00007 98 3PY 0.00051 -0.00034 0.00018 0.00008 0.00012 99 3PZ 0.00063 -0.00018 0.00004 0.00005 0.00052 100 4XX -0.00007 0.00001 0.00000 -0.00000 -0.00001 101 4YY -0.00004 -0.00005 -0.00002 0.00000 0.00010 102 4ZZ 0.00007 0.00001 -0.00002 0.00000 0.00002 103 4XY -0.00005 -0.00003 -0.00002 -0.00000 -0.00000 104 4XZ 0.00003 0.00000 -0.00000 0.00000 0.00003 105 4YZ 0.00004 -0.00000 -0.00000 -0.00000 -0.00002 106 8 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 107 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 108 2PX -0.00001 0.00000 0.00003 0.00001 -0.00000 109 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 110 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 111 3S -0.00007 0.00001 -0.00003 0.00001 -0.00001 112 3PX -0.00018 0.00000 0.00005 0.00002 -0.00001 113 3PY -0.00002 0.00000 0.00000 0.00001 -0.00000 114 3PZ -0.00005 -0.00000 0.00001 0.00000 -0.00001 115 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 116 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 117 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 118 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 119 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 120 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 121 9 C 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 122 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 123 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 124 2PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 125 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 126 3S 0.00001 0.00001 -0.00000 0.00000 0.00000 127 3PX 0.00001 0.00000 -0.00000 0.00000 0.00000 128 3PY 0.00000 -0.00000 -0.00001 0.00000 -0.00000 129 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 130 4XX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 131 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 132 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 133 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 134 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 135 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 136 10 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 137 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 138 2PX -0.00001 0.00000 0.00000 0.00003 -0.00000 139 2PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 140 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 141 3S -0.00007 -0.00000 -0.00000 0.00003 -0.00001 142 3PX -0.00028 0.00004 -0.00001 0.00010 -0.00001 143 3PY 0.00001 0.00000 -0.00000 0.00000 -0.00000 144 3PZ -0.00005 0.00001 0.00000 -0.00001 0.00000 145 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 146 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 147 4ZZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 148 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 149 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 150 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 151 11 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 152 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 153 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 154 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 155 2PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 156 3S 0.00000 0.00000 0.00000 0.00000 0.00000 157 3PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 158 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 159 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 160 4XX -0.00000 0.00000 -0.00000 0.00000 -0.00000 161 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 162 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 163 4XY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 164 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 165 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 166 12 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 167 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 168 13 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 169 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 170 14 C 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 171 2S -0.00000 0.00000 0.00000 0.00000 0.00000 172 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 173 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 174 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 175 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 176 3PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 177 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 178 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 179 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 180 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 181 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 182 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 183 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 184 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 185 15 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 186 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 187 16 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 188 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 189 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 190 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 191 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 192 2PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 193 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 194 3S -0.00000 0.00000 0.00000 0.00000 0.00000 195 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 196 3PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 197 3PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 198 4XX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 199 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 200 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 201 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 202 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 203 4YZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 204 18 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 205 2S -0.00000 0.00000 0.00000 0.00000 0.00000 206 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 207 2PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 208 2PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 209 3S -0.00000 -0.00000 0.00000 -0.00000 0.00000 210 3PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 211 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 212 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 213 4XX 0.00000 0.00000 -0.00000 0.00000 -0.00000 214 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 215 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 216 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 217 4XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 218 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 219 19 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 220 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 221 20 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 222 2S 0.00000 0.00000 0.00000 0.00000 0.00000 223 21 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 224 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 225 22 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 226 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 227 23 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 228 2S 0.00003 -0.00000 0.00000 -0.00003 0.00000 229 24 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 230 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 231 25 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 232 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 233 26 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 234 2S 0.00001 0.00000 -0.00000 -0.00001 -0.00001 235 27 H 1S 0.00004 0.00001 0.00001 0.00000 0.00005 236 2S 0.00005 0.00020 0.00003 0.00000 0.00012 237 28 Br 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 238 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 239 3S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 240 4S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 241 5S 0.00003 0.00004 0.00000 0.00000 0.00010 242 6S -0.00019 0.00030 0.00000 0.00000 0.00006 243 7PX -0.00000 0.00000 0.00000 0.00000 -0.00000 244 7PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 245 7PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 246 8PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 247 8PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 248 8PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 249 9PX -0.00000 -0.00000 0.00003 0.00004 -0.00000 250 9PY 0.00013 0.00022 0.00000 -0.00000 0.00060 251 9PZ 0.00035 -0.00008 0.00000 -0.00000 0.00036 252 10PX -0.00000 -0.00000 0.00012 0.00018 -0.00000 253 10PY 0.00049 0.00124 0.00000 -0.00000 0.00077 254 10PZ 0.00107 -0.00031 0.00000 -0.00000 0.00034 255 11XX -0.00000 -0.00000 -0.00000 0.00000 0.00000 256 11YY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 257 11ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 258 11XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 259 11XZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 260 11YZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 261 12XX -0.00001 -0.00000 0.00000 0.00000 -0.00000 262 12YY -0.00003 -0.00000 -0.00000 -0.00000 0.00004 263 12ZZ 0.00014 -0.00002 -0.00000 -0.00000 0.00007 264 12XY 0.00000 0.00000 0.00001 0.00001 0.00000 265 12XZ 0.00000 -0.00000 0.00002 0.00001 0.00000 266 12YZ 0.00012 -0.00002 -0.00000 0.00000 0.00012 267 29 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 268 2S 0.00002 -0.00000 0.00001 0.00001 0.00001 269 2PX 0.00002 -0.00000 0.00001 0.00000 0.00001 270 2PY 0.00006 -0.00000 0.00004 0.00003 0.00005 271 2PZ 0.00004 -0.00000 0.00001 0.00000 0.00001 272 3S 0.00020 0.00004 0.00002 0.00003 0.00011 273 3PX 0.00015 0.00000 0.00000 0.00000 0.00006 274 3PY 0.00035 0.00006 0.00007 0.00007 0.00018 275 3PZ 0.00021 -0.00002 0.00001 -0.00001 -0.00002 276 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 277 4YY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 278 4ZZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 279 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 280 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 281 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 282 30 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 283 2S -0.00007 0.00001 -0.00000 -0.00000 0.00000 284 31 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 285 2S -0.00001 0.00006 -0.00002 0.00001 -0.00002 286 32 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 287 2S -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 288 33 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 289 2S 0.00001 0.00001 0.00000 -0.00001 -0.00003 290 34 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 291 2S -0.00001 -0.00000 0.00000 0.00000 -0.00001 292 35 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 293 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 294 36 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 295 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 296 37 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 297 2S 0.00001 0.00004 -0.00000 -0.00002 -0.00000 298 38 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 299 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 300 39 H 1S 0.00001 0.00003 0.00005 0.00008 0.00003 301 2S 0.00030 0.00040 0.00010 0.00018 0.00010 302 40 H 1S -0.00001 -0.00000 0.00005 0.00001 0.00000 303 2S -0.00005 0.00002 0.00021 0.00002 0.00001 91 92 93 94 95 91 7 C 1S 2.05600 92 2S -0.01432 0.34043 93 2PX 0.00000 0.00000 0.45906 94 2PY 0.00000 0.00000 0.00000 0.40327 95 2PZ 0.00000 0.00000 -0.00000 0.00000 0.28778 96 3S -0.04142 0.28321 0.00000 0.00000 0.00000 97 3PX 0.00000 0.00000 0.11258 -0.00000 -0.00000 98 3PY 0.00000 0.00000 0.00000 0.09154 0.00000 99 3PZ 0.00000 0.00000 -0.00000 0.00000 0.08069 100 4XX -0.00131 -0.00131 0.00000 0.00000 0.00000 101 4YY -0.00119 -0.00378 0.00000 0.00000 0.00000 102 4ZZ -0.00111 -0.00587 0.00000 0.00000 0.00000 103 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 104 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 105 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 106 8 C 1S 0.00000 -0.00019 -0.00126 -0.00001 -0.00002 107 2S -0.00021 0.00521 0.02402 0.00029 0.00041 108 2PX -0.00149 0.03024 0.07725 0.00184 0.00213 109 2PY -0.00004 0.00061 0.00251 0.00092 0.00016 110 2PZ -0.00008 0.00159 0.00345 0.00021 0.00225 111 3S 0.00120 -0.00531 0.01835 0.00014 0.00051 112 3PX -0.00138 0.01964 0.02235 0.00139 0.00133 113 3PY 0.00004 0.00007 0.00140 -0.00003 0.00007 114 3PZ -0.00001 0.00109 0.00178 0.00011 0.00035 115 4XX -0.00016 0.00328 0.00328 0.00028 0.00036 116 4YY 0.00000 -0.00030 -0.00096 0.00001 -0.00004 117 4ZZ 0.00000 -0.00040 -0.00070 -0.00002 0.00001 118 4XY -0.00001 0.00011 0.00029 0.00088 -0.00001 119 4XZ -0.00001 0.00014 0.00055 -0.00000 0.00057 120 4YZ 0.00000 -0.00000 -0.00001 0.00002 -0.00001 121 9 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 122 2S 0.00000 -0.00002 -0.00010 -0.00001 -0.00000 123 2PX 0.00000 -0.00014 -0.00045 -0.00001 -0.00000 124 2PY 0.00000 -0.00002 -0.00008 -0.00000 -0.00000 125 2PZ 0.00000 0.00000 -0.00001 -0.00000 -0.00001 126 3S -0.00005 0.00025 -0.00157 -0.00033 -0.00007 127 3PX 0.00002 -0.00149 -0.00374 -0.00001 -0.00006 128 3PY -0.00001 -0.00006 -0.00066 0.00010 -0.00003 129 3PZ 0.00000 -0.00002 -0.00007 -0.00007 -0.00004 130 4XX -0.00000 0.00001 0.00005 -0.00000 -0.00000 131 4YY 0.00000 -0.00000 -0.00001 -0.00000 0.00000 132 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 133 4XY -0.00000 0.00000 0.00001 -0.00000 0.00000 134 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 135 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 136 10 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 137 2S 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 138 2PX 0.00000 -0.00000 0.00001 -0.00002 -0.00001 139 2PY 0.00000 -0.00001 -0.00003 0.00001 -0.00000 140 2PZ 0.00000 -0.00001 -0.00002 -0.00001 -0.00000 141 3S 0.00003 -0.00046 -0.00008 -0.00037 0.00007 142 3PX 0.00002 -0.00012 0.00036 -0.00047 -0.00007 143 3PY 0.00003 -0.00044 -0.00040 0.00021 -0.00002 144 3PZ 0.00002 -0.00036 -0.00030 -0.00038 -0.00002 145 4XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 146 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 147 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 148 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 149 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 150 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 151 11 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 152 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 153 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 154 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 155 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 156 3S -0.00000 0.00000 0.00000 -0.00000 -0.00000 157 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 158 3PY -0.00000 0.00000 0.00000 -0.00000 0.00000 159 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 160 4XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 161 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 162 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 163 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 165 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 166 12 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 167 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 168 13 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 169 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 170 14 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 171 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 172 2PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 173 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 174 2PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 175 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 176 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 177 3PY -0.00000 0.00000 0.00000 -0.00000 0.00000 178 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 179 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 180 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 181 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 182 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 183 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 184 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 185 15 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 186 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 187 16 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 188 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 189 17 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 190 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 191 2PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 192 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 193 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 194 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 195 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 196 3PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 197 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 198 4XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 199 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 200 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 201 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 202 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 203 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 204 18 C 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 205 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 206 2PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 207 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 208 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 209 3S -0.00000 0.00001 0.00007 0.00000 -0.00000 210 3PX -0.00000 0.00002 0.00008 0.00000 -0.00001 211 3PY -0.00000 -0.00000 -0.00001 0.00000 -0.00000 212 3PZ -0.00000 0.00001 0.00002 0.00000 0.00000 213 4XX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 214 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 215 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 216 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 217 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 218 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 219 19 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 220 2S -0.00000 0.00000 0.00001 -0.00000 0.00000 221 20 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 222 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 223 21 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 224 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 225 22 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 226 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 227 23 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 228 2S -0.00000 0.00010 -0.00002 0.00000 -0.00009 229 24 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 230 2S -0.00000 0.00014 0.00020 -0.00001 -0.00002 231 25 H 1S 0.00000 -0.00013 -0.00051 -0.00007 0.00002 232 2S 0.00013 -0.00208 -0.00512 -0.00163 0.00008 233 26 H 1S 0.00000 -0.00031 -0.00032 -0.00005 0.00013 234 2S 0.00026 -0.00433 -0.00367 -0.00024 -0.00059 235 27 H 1S -0.00200 0.03229 0.03923 0.03255 0.03022 236 2S -0.00079 0.00891 0.01965 0.01589 0.01449 237 28 Br 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 238 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 239 3S -0.00000 0.00000 0.00000 -0.00000 -0.00001 240 4S -0.00000 0.00002 0.00001 -0.00001 -0.00005 241 5S 0.00000 -0.00069 0.00001 0.00013 0.00161 242 6S 0.00059 -0.00682 -0.00088 0.00030 -0.00677 243 7PX -0.00000 -0.00000 0.00000 0.00000 0.00000 244 7PY -0.00000 0.00000 0.00000 -0.00000 0.00000 245 7PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 246 8PX 0.00000 -0.00000 0.00000 -0.00001 -0.00006 247 8PY 0.00000 -0.00000 -0.00000 0.00000 -0.00001 248 8PZ 0.00000 -0.00003 -0.00002 -0.00007 -0.00062 249 9PX -0.00001 0.00009 -0.00027 0.00034 0.00282 250 9PY -0.00000 0.00021 0.00002 -0.00052 0.00035 251 9PZ -0.00006 0.00200 0.00104 0.00330 0.02738 252 10PX -0.00001 -0.00047 -0.00269 0.00055 0.00387 253 10PY 0.00003 0.00038 -0.00008 -0.00401 -0.00058 254 10PZ 0.00011 -0.00128 0.00028 0.00549 0.03177 255 11XX 0.00000 0.00000 0.00000 0.00000 0.00002 256 11YY 0.00000 0.00000 -0.00000 0.00000 0.00001 257 11ZZ 0.00000 -0.00004 -0.00003 -0.00000 -0.00004 258 11XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 259 11XZ 0.00000 -0.00001 -0.00000 -0.00000 -0.00002 260 11YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00003 261 12XX 0.00000 -0.00007 0.00013 -0.00003 0.00001 262 12YY 0.00000 -0.00011 0.00001 0.00009 0.00021 263 12ZZ -0.00018 0.00324 0.00133 0.00080 0.00667 264 12XY -0.00000 0.00005 0.00000 0.00005 0.00017 265 12XZ -0.00003 0.00067 0.00052 0.00014 0.00177 266 12YZ -0.00002 0.00041 0.00017 0.00072 0.00211 267 29 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 268 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 269 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 270 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 271 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 272 3S -0.00000 0.00001 -0.00000 -0.00009 -0.00001 273 3PX -0.00000 0.00000 0.00000 0.00002 -0.00000 274 3PY 0.00000 -0.00004 -0.00000 -0.00037 -0.00004 275 3PZ -0.00000 0.00001 -0.00000 0.00002 0.00002 276 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 277 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 278 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 279 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 280 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 281 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 282 30 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 283 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 284 31 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 285 2S -0.00000 0.00001 -0.00002 0.00014 0.00000 286 32 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 287 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 288 33 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 289 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 290 34 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 291 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 292 35 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 293 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 294 36 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 295 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 296 37 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 297 2S -0.00000 0.00000 0.00000 0.00000 0.00000 298 38 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 299 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 300 39 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 301 2S -0.00000 0.00007 0.00010 -0.00001 -0.00008 302 40 H 1S 0.00000 -0.00001 -0.00003 -0.00000 0.00000 303 2S 0.00002 -0.00047 -0.00059 -0.00023 0.00000 96 97 98 99 100 96 3S 0.43350 97 3PX 0.00000 0.09814 98 3PY 0.00000 0.00000 0.07579 99 3PZ 0.00000 -0.00000 -0.00000 0.07996 100 4XX -0.00170 0.00000 0.00000 0.00000 0.00105 101 4YY -0.00284 0.00000 0.00000 0.00000 -0.00011 102 4ZZ -0.00377 0.00000 0.00000 0.00000 -0.00008 103 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 104 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 106 8 C 1S 0.00069 -0.00068 0.00001 0.00001 -0.00013 107 2S 0.00012 0.01436 -0.00025 -0.00014 0.00237 108 2PX 0.03380 0.02823 0.00119 0.00170 0.00084 109 2PY 0.00189 0.00023 0.00390 0.00001 0.00017 110 2PZ 0.00266 0.00109 0.00013 0.00540 0.00033 111 3S -0.03918 -0.00192 -0.00046 -0.00022 0.00359 112 3PX 0.01608 0.00701 0.00115 0.00124 0.00072 113 3PY 0.00151 -0.00020 0.00260 -0.00004 0.00012 114 3PZ 0.00206 0.00060 0.00009 0.00224 0.00023 115 4XX 0.00489 0.00192 0.00019 0.00024 0.00003 116 4YY -0.00132 -0.00167 -0.00002 -0.00011 -0.00000 117 4ZZ -0.00158 -0.00094 -0.00007 -0.00002 -0.00004 118 4XY 0.00003 0.00006 0.00048 0.00000 -0.00001 119 4XZ 0.00008 0.00009 0.00000 0.00042 -0.00001 120 4YZ 0.00000 -0.00000 0.00004 -0.00000 -0.00000 121 9 C 1S -0.00001 0.00008 -0.00000 -0.00000 -0.00000 122 2S -0.00017 -0.00178 -0.00006 0.00000 0.00001 123 2PX -0.00129 -0.00553 0.00138 0.00036 0.00004 124 2PY 0.00002 -0.00124 -0.00002 -0.00002 0.00001 125 2PZ -0.00003 -0.00012 -0.00015 -0.00022 0.00000 126 3S 0.00225 -0.00415 -0.00053 -0.00012 0.00004 127 3PX -0.00241 -0.00847 0.00213 0.00043 0.00021 128 3PY 0.00051 -0.00196 0.00028 -0.00005 0.00007 129 3PZ -0.00007 -0.00011 -0.00030 -0.00057 0.00001 130 4XX 0.00014 0.00038 0.00002 -0.00000 0.00000 131 4YY -0.00004 -0.00010 -0.00000 0.00000 0.00000 132 4ZZ -0.00003 -0.00004 -0.00001 0.00000 -0.00000 133 4XY 0.00000 -0.00005 -0.00000 0.00001 0.00000 134 4XZ 0.00000 -0.00000 0.00000 0.00002 0.00000 135 4YZ -0.00000 -0.00002 -0.00000 -0.00000 0.00000 136 10 C 1S 0.00002 0.00002 0.00001 0.00000 -0.00000 137 2S -0.00026 -0.00021 0.00003 -0.00003 0.00000 138 2PX -0.00056 0.00015 -0.00082 -0.00026 0.00000 139 2PY -0.00041 -0.00044 0.00046 0.00016 -0.00000 140 2PZ -0.00028 -0.00008 0.00017 -0.00001 -0.00000 141 3S -0.00226 -0.00023 -0.00070 0.00072 0.00002 142 3PX -0.00188 0.00061 -0.00189 -0.00040 0.00003 143 3PY -0.00130 -0.00074 0.00106 0.00037 -0.00004 144 3PZ -0.00103 0.00004 -0.00000 -0.00001 -0.00002 145 4XX -0.00001 0.00004 -0.00007 -0.00003 -0.00000 146 4YY 0.00003 -0.00005 0.00004 0.00001 0.00000 147 4ZZ -0.00001 -0.00002 -0.00001 0.00001 0.00000 148 4XY 0.00000 0.00000 -0.00001 0.00001 -0.00000 149 4XZ -0.00001 0.00000 -0.00002 0.00000 0.00000 150 4YZ 0.00001 -0.00001 0.00002 0.00000 0.00000 151 11 C 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 152 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 153 2PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 154 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 155 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 156 3S 0.00004 0.00004 0.00000 -0.00001 -0.00000 157 3PX 0.00007 -0.00005 0.00006 0.00002 -0.00000 158 3PY 0.00007 0.00009 -0.00004 0.00000 -0.00000 159 3PZ -0.00000 -0.00003 0.00001 -0.00000 0.00000 160 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 161 4YY 0.00000 -0.00000 0.00000 0.00000 -0.00000 162 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 163 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 164 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 165 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 166 12 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 167 2S -0.00000 0.00000 0.00001 0.00000 -0.00000 168 13 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 169 2S -0.00001 -0.00001 -0.00001 -0.00000 0.00000 170 14 C 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 171 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 172 2PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 173 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 174 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 175 3S 0.00000 0.00000 0.00000 0.00000 0.00000 176 3PX -0.00001 0.00000 -0.00000 -0.00000 0.00000 177 3PY 0.00000 0.00001 0.00000 0.00000 -0.00000 178 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 179 4XX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 180 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 181 4ZZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 182 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 183 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 184 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 185 15 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 186 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 187 16 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 188 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 189 17 C 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 190 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 191 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 192 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 193 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 194 3S -0.00001 -0.00003 0.00000 0.00000 0.00000 195 3PX -0.00001 -0.00005 0.00000 0.00001 0.00000 196 3PY -0.00000 -0.00002 0.00000 0.00000 0.00000 197 3PZ -0.00000 -0.00002 0.00000 0.00000 0.00000 198 4XX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 199 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 200 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 201 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 202 4XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 203 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 204 18 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 205 2S 0.00001 0.00006 -0.00000 -0.00001 -0.00000 206 2PX 0.00003 0.00018 -0.00001 -0.00005 -0.00000 207 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 208 2PZ 0.00002 0.00005 0.00000 0.00000 -0.00000 209 3S 0.00015 0.00074 -0.00001 -0.00005 -0.00000 210 3PX 0.00013 0.00092 -0.00005 -0.00031 -0.00001 211 3PY 0.00002 0.00000 -0.00000 -0.00000 0.00000 212 3PZ 0.00017 0.00033 0.00000 0.00002 -0.00000 213 4XX -0.00000 -0.00001 0.00000 -0.00000 0.00000 214 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 215 4ZZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 216 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 217 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 218 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 219 19 H 1S -0.00000 -0.00000 0.00000 -0.00001 -0.00000 220 2S -0.00012 -0.00007 0.00002 -0.00005 -0.00000 221 20 H 1S 0.00000 0.00001 -0.00000 0.00000 -0.00000 222 2S 0.00011 0.00016 -0.00002 0.00000 -0.00000 223 21 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 224 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 225 22 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 226 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 227 23 H 1S -0.00007 -0.00005 -0.00001 0.00003 0.00000 228 2S -0.00029 -0.00030 -0.00025 -0.00020 -0.00000 229 24 H 1S 0.00001 0.00017 -0.00021 -0.00001 -0.00000 230 2S 0.00001 0.00121 -0.00113 -0.00007 -0.00001 231 25 H 1S -0.00365 -0.00253 0.00027 0.00011 0.00003 232 2S -0.00882 -0.00687 -0.00114 0.00016 -0.00009 233 26 H 1S -0.00479 -0.00155 -0.00035 0.00127 0.00000 234 2S -0.01211 -0.00388 -0.00061 0.00026 -0.00029 235 27 H 1S 0.05086 0.02724 0.01449 0.01627 0.00024 236 2S 0.01852 0.02090 0.01070 0.01244 0.00021 237 28 Br 1S 0.00001 -0.00001 -0.00000 -0.00000 0.00000 238 2S -0.00034 0.00018 0.00014 0.00009 -0.00000 239 3S 0.00084 -0.00028 -0.00023 0.00009 0.00000 240 4S 0.00278 -0.00073 -0.00063 0.00051 0.00000 241 5S -0.00512 -0.00091 -0.00045 -0.00247 -0.00003 242 6S -0.02023 -0.00223 -0.00068 -0.01994 0.00011 243 7PX 0.00001 0.00000 -0.00000 0.00001 0.00000 244 7PY -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 245 7PZ 0.00005 -0.00001 -0.00000 0.00009 -0.00000 246 8PX -0.00032 -0.00011 0.00002 -0.00046 -0.00000 247 8PY 0.00021 0.00006 0.00016 0.00025 -0.00000 248 8PZ -0.00099 -0.00015 -0.00036 -0.00390 0.00000 249 9PX 0.00407 0.00154 -0.00003 0.00504 -0.00002 250 9PY -0.00300 -0.00058 -0.00241 -0.00311 0.00002 251 9PZ 0.00927 0.00285 0.00600 0.04327 -0.00010 252 10PX 0.00724 0.00259 -0.00018 0.00504 -0.00034 253 10PY -0.00659 -0.00085 -0.00685 -0.00540 0.00015 254 10PZ 0.00508 0.00220 0.00716 0.03500 -0.00030 255 11XX -0.00050 0.00037 0.00032 0.00037 -0.00000 256 11YY -0.00046 0.00041 0.00026 0.00056 -0.00000 257 11ZZ -0.00170 0.00013 0.00014 -0.00089 -0.00000 258 11XY -0.00000 0.00000 -0.00000 -0.00001 -0.00000 259 11XZ -0.00005 -0.00005 -0.00001 -0.00005 -0.00000 260 11YZ -0.00002 -0.00000 -0.00004 -0.00004 0.00000 261 12XX -0.00094 -0.00000 0.00011 -0.00000 -0.00001 262 12YY -0.00200 0.00019 0.00001 -0.00028 -0.00001 263 12ZZ 0.00478 0.00195 0.00125 0.00666 -0.00017 264 12XY 0.00008 0.00006 0.00008 0.00010 -0.00000 265 12XZ 0.00110 0.00117 0.00010 0.00100 -0.00001 266 12YZ 0.00008 -0.00001 0.00069 0.00085 -0.00003 267 29 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 268 2S -0.00001 -0.00001 -0.00001 -0.00001 0.00000 269 2PX 0.00000 0.00000 0.00001 -0.00000 0.00000 270 2PY -0.00001 -0.00003 -0.00011 -0.00002 0.00000 271 2PZ 0.00001 -0.00000 0.00001 0.00004 0.00000 272 3S -0.00011 0.00000 -0.00043 -0.00004 0.00000 273 3PX 0.00000 0.00004 0.00012 -0.00001 0.00000 274 3PY -0.00037 -0.00003 -0.00116 -0.00006 0.00001 275 3PZ 0.00005 -0.00001 0.00007 0.00023 0.00000 276 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 277 4YY -0.00001 0.00000 -0.00003 0.00000 -0.00000 278 4ZZ 0.00000 -0.00000 0.00001 -0.00000 0.00000 279 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 280 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 282 30 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 283 2S -0.00006 -0.00002 -0.00012 0.00000 -0.00000 284 31 H 1S -0.00001 -0.00000 0.00000 0.00007 0.00000 285 2S 0.00030 -0.00011 0.00087 0.00035 0.00000 286 32 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 287 2S -0.00003 0.00001 -0.00006 0.00000 -0.00000 288 33 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 289 2S -0.00005 -0.00001 -0.00011 0.00000 0.00000 290 34 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 291 2S -0.00005 0.00000 -0.00009 -0.00001 -0.00000 292 35 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 293 2S -0.00001 -0.00001 -0.00003 -0.00000 -0.00000 294 36 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 295 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 296 37 H 1S 0.00000 -0.00001 -0.00000 0.00000 -0.00000 297 2S 0.00000 -0.00008 -0.00006 -0.00005 0.00000 298 38 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 299 2S -0.00005 -0.00003 -0.00005 -0.00000 0.00000 300 39 H 1S 0.00009 -0.00008 -0.00002 -0.00006 -0.00000 301 2S 0.00066 -0.00006 -0.00013 -0.00020 -0.00001 302 40 H 1S -0.00078 0.00008 0.00007 -0.00000 0.00000 303 2S -0.00341 0.00120 -0.00016 -0.00001 0.00000 101 102 103 104 105 101 4YY 0.00121 102 4ZZ -0.00012 0.00184 103 4XY 0.00000 -0.00000 0.00157 104 4XZ -0.00000 0.00000 0.00000 0.00150 105 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00088 106 8 C 1S 0.00000 0.00000 -0.00001 -0.00001 0.00000 107 2S -0.00029 -0.00025 0.00009 0.00016 -0.00001 108 2PX -0.00079 -0.00056 0.00018 0.00030 -0.00002 109 2PY 0.00003 0.00001 0.00133 0.00000 0.00004 110 2PZ -0.00001 0.00005 0.00001 0.00122 0.00001 111 3S -0.00088 -0.00094 0.00004 0.00009 -0.00001 112 3PX -0.00126 -0.00075 0.00003 0.00006 -0.00001 113 3PY -0.00009 0.00003 0.00093 0.00000 0.00005 114 3PZ 0.00001 -0.00020 0.00000 0.00098 0.00001 115 4XX -0.00004 -0.00005 -0.00004 -0.00005 0.00000 116 4YY 0.00002 -0.00001 -0.00001 -0.00001 -0.00000 117 4ZZ 0.00000 0.00003 0.00000 -0.00002 0.00000 118 4XY -0.00000 -0.00001 -0.00012 0.00001 -0.00000 119 4XZ -0.00001 -0.00000 0.00001 -0.00005 0.00000 120 4YZ 0.00000 -0.00000 0.00002 -0.00000 0.00000 121 9 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 122 2S -0.00000 0.00000 0.00001 0.00000 0.00000 123 2PX -0.00000 -0.00000 0.00003 0.00000 -0.00000 124 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 125 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 126 3S -0.00001 0.00000 0.00005 0.00001 0.00000 127 3PX -0.00002 -0.00006 0.00013 0.00002 0.00000 128 3PY -0.00002 0.00003 -0.00001 0.00000 0.00000 129 3PZ 0.00000 -0.00000 0.00001 -0.00004 0.00000 130 4XX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 131 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 132 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 133 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 134 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 135 4YZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 136 10 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 137 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 138 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 139 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 140 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 141 3S -0.00002 0.00002 -0.00001 -0.00002 -0.00001 142 3PX -0.00004 -0.00001 0.00000 0.00001 -0.00000 143 3PY 0.00001 0.00001 0.00001 0.00000 0.00001 144 3PZ -0.00002 0.00002 -0.00000 0.00000 0.00001 145 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 146 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 147 4ZZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 148 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 150 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 151 11 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 152 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 153 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 154 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 155 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 156 3S -0.00000 0.00000 0.00000 0.00000 0.00000 157 3PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 158 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 160 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 161 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 162 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 163 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 164 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 165 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 166 12 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 167 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 168 13 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 169 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 170 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 171 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 172 2PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 173 2PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 174 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 175 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 176 3PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 177 3PY -0.00000 0.00000 0.00000 -0.00000 0.00000 178 3PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 179 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 180 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 181 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 182 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 183 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 184 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 185 15 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 186 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 187 16 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 188 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 189 17 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 190 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 191 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 192 2PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 193 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 194 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 195 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 196 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 197 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 198 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 199 4YY 0.00000 -0.00000 0.00000 0.00000 -0.00000 200 4ZZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 201 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 202 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 203 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 204 18 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 205 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 206 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 207 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 208 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 209 3S -0.00000 0.00000 0.00000 -0.00000 -0.00000 210 3PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 211 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 212 3PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 213 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 214 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 215 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 216 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 217 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 218 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 219 19 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 220 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 221 20 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 222 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 223 21 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 224 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 225 22 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 226 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 227 23 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 228 2S 0.00001 0.00000 -0.00000 0.00001 -0.00001 229 24 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 230 2S 0.00001 -0.00000 -0.00002 0.00000 0.00000 231 25 H 1S 0.00003 -0.00001 0.00011 0.00000 -0.00000 232 2S 0.00046 -0.00024 0.00031 0.00001 -0.00000 233 26 H 1S -0.00000 0.00006 0.00000 0.00015 0.00000 234 2S -0.00001 0.00067 0.00001 0.00039 -0.00000 235 27 H 1S -0.00030 -0.00042 0.00242 0.00225 0.00130 236 2S 0.00001 -0.00008 0.00043 0.00041 0.00020 237 28 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 238 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 239 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 240 4S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 241 5S -0.00003 0.00047 0.00001 0.00010 0.00009 242 6S 0.00002 0.00025 0.00001 -0.00000 0.00010 243 7PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 244 7PY 0.00000 0.00000 0.00000 0.00000 -0.00000 245 7PZ -0.00000 0.00000 0.00000 0.00000 0.00000 246 8PX 0.00000 -0.00001 0.00000 0.00000 -0.00000 247 8PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 248 8PZ 0.00000 -0.00003 -0.00000 -0.00001 -0.00000 249 9PX -0.00002 0.00054 0.00000 0.00008 0.00003 250 9PY -0.00001 0.00032 0.00000 0.00002 0.00019 251 9PZ -0.00022 0.00193 0.00006 0.00082 0.00031 252 10PX -0.00008 0.00103 0.00002 0.00039 0.00002 253 10PY -0.00031 0.00061 -0.00001 0.00001 0.00057 254 10PZ -0.00106 0.00315 0.00005 0.00053 0.00023 255 11XX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 256 11YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 257 11ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 258 11XY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 259 11XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 260 11YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 261 12XX -0.00001 -0.00003 0.00000 0.00001 0.00001 262 12YY -0.00001 0.00002 0.00000 0.00001 0.00001 263 12ZZ -0.00016 0.00051 0.00002 0.00016 0.00002 264 12XY -0.00000 0.00002 -0.00000 -0.00000 0.00000 265 12XZ -0.00003 0.00013 0.00000 -0.00001 0.00002 266 12YZ -0.00001 0.00015 0.00002 0.00007 0.00004 267 29 C 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 268 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 269 2PX -0.00000 0.00000 0.00000 -0.00000 0.00000 270 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 271 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 272 3S -0.00001 0.00001 -0.00000 0.00000 0.00000 273 3PX -0.00000 0.00000 0.00000 -0.00000 0.00000 274 3PY -0.00003 0.00002 -0.00000 0.00000 0.00001 275 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 276 4XX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 277 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 278 4ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 279 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 280 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 281 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 282 30 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 283 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 284 31 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 285 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 286 32 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 287 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 288 33 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 289 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 290 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 291 2S 0.00000 0.00000 0.00000 0.00000 0.00000 292 35 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 293 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 294 36 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 295 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 296 37 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 297 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 298 38 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 299 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 300 39 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 301 2S -0.00001 0.00001 -0.00001 -0.00000 -0.00000 302 40 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 303 2S 0.00000 -0.00001 -0.00003 0.00000 -0.00000 106 107 108 109 110 106 8 C 1S 2.05169 107 2S -0.01170 0.30540 108 2PX 0.00000 0.00000 0.36506 109 2PY 0.00000 0.00000 -0.00000 0.41576 110 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.41409 111 3S -0.03663 0.24121 0.00000 0.00000 0.00000 112 3PX 0.00000 0.00000 0.07796 -0.00000 -0.00000 113 3PY 0.00000 0.00000 -0.00000 0.11887 -0.00000 114 3PZ 0.00000 0.00000 -0.00000 -0.00000 0.11558 115 4XX -0.00117 -0.00476 0.00000 0.00000 0.00000 116 4YY -0.00141 -0.00083 0.00000 0.00000 0.00000 117 4ZZ -0.00143 -0.00005 0.00000 0.00000 0.00000 118 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 119 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 120 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 121 9 C 1S 0.00000 -0.00014 -0.00036 -0.00053 -0.00015 122 2S -0.00014 0.00372 0.00791 0.01154 0.00316 123 2PX -0.00046 0.00948 0.00590 0.02016 0.00517 124 2PY -0.00059 0.01237 0.01858 0.01495 0.00637 125 2PZ -0.00012 0.00244 0.00405 0.00568 -0.00081 126 3S 0.00052 0.00016 0.00511 0.00858 0.00288 127 3PX -0.00042 0.00762 -0.00124 0.00943 0.00281 128 3PY -0.00066 0.00910 0.00813 0.00167 0.00077 129 3PZ -0.00011 0.00146 0.00235 0.00277 -0.00310 130 4XX -0.00001 0.00020 -0.00032 0.00063 0.00009 131 4YY -0.00002 0.00045 0.00072 -0.00058 0.00029 132 4ZZ 0.00000 -0.00019 -0.00014 -0.00026 -0.00002 133 4XY -0.00006 0.00114 0.00050 0.00077 0.00066 134 4XZ -0.00002 0.00030 0.00011 0.00066 0.00005 135 4YZ -0.00002 0.00042 0.00053 0.00028 0.00008 136 10 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 137 2S 0.00000 -0.00002 -0.00000 -0.00007 -0.00004 138 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 139 2PY 0.00000 -0.00008 -0.00002 -0.00018 -0.00013 140 2PZ 0.00000 -0.00004 -0.00001 -0.00014 -0.00006 141 3S 0.00000 -0.00034 -0.00009 -0.00088 -0.00106 142 3PX 0.00000 -0.00002 0.00016 0.00015 0.00018 143 3PY 0.00007 -0.00120 -0.00003 -0.00050 -0.00104 144 3PZ 0.00003 -0.00072 -0.00006 -0.00108 -0.00049 145 4XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 146 4YY -0.00000 0.00000 0.00000 0.00002 0.00001 147 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 148 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 149 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 150 4YZ -0.00000 0.00000 0.00000 0.00002 0.00001 151 11 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 152 2S -0.00000 0.00000 0.00000 0.00000 0.00000 153 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 154 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 155 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 156 3S -0.00000 0.00001 0.00001 0.00003 0.00001 157 3PX -0.00000 0.00001 0.00000 0.00003 0.00001 158 3PY -0.00000 0.00002 0.00001 0.00004 0.00003 159 3PZ -0.00000 0.00001 0.00001 0.00002 0.00000 160 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 161 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 162 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 163 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 164 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 165 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 166 12 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 167 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 168 13 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 169 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 170 14 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 171 2S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 173 2PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 174 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 175 3S -0.00000 0.00000 0.00000 0.00000 0.00000 176 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 177 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 178 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 179 4XX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 180 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 181 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 182 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 183 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 184 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 185 15 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 186 2S -0.00000 0.00000 0.00000 0.00000 0.00000 187 16 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 188 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 189 17 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 190 2S -0.00000 0.00000 0.00000 0.00000 0.00000 191 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 192 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 193 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 194 3S -0.00000 0.00001 0.00004 0.00000 0.00001 195 3PX -0.00000 0.00003 0.00005 0.00000 0.00002 196 3PY -0.00000 0.00002 0.00005 0.00000 0.00002 197 3PZ -0.00000 0.00001 0.00002 0.00001 0.00000 198 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 199 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 200 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 201 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 202 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 203 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 204 18 C 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 205 2S 0.00000 -0.00003 -0.00011 0.00000 -0.00004 206 2PX 0.00000 -0.00014 -0.00029 -0.00004 -0.00014 207 2PY 0.00000 -0.00001 -0.00002 -0.00001 -0.00000 208 2PZ 0.00000 -0.00003 -0.00008 -0.00001 -0.00000 209 3S 0.00004 -0.00079 -0.00189 0.00016 -0.00043 210 3PX 0.00008 -0.00126 -0.00091 -0.00031 -0.00067 211 3PY 0.00001 -0.00009 0.00008 0.00006 0.00005 212 3PZ 0.00003 -0.00033 -0.00059 -0.00012 0.00002 213 4XX -0.00000 0.00001 0.00004 0.00001 0.00001 214 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 215 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 216 4XY -0.00000 0.00000 0.00001 -0.00000 0.00000 217 4XZ -0.00000 0.00000 0.00002 0.00000 0.00000 218 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 219 19 H 1S 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 220 2S 0.00001 -0.00025 -0.00033 0.00002 -0.00014 221 20 H 1S 0.00000 -0.00000 -0.00002 0.00000 -0.00000 222 2S 0.00001 -0.00023 -0.00039 0.00002 -0.00006 223 21 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 224 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 225 22 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 226 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 227 23 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 228 2S 0.00001 -0.00018 -0.00000 -0.00020 -0.00007 229 24 H 1S 0.00000 -0.00017 -0.00018 -0.00038 -0.00001 230 2S 0.00017 -0.00271 -0.00222 -0.00492 -0.00006 231 25 H 1S -0.00173 0.02809 0.00663 0.07893 0.01259 232 2S -0.00045 0.00870 0.00350 0.04274 0.00671 233 26 H 1S -0.00165 0.02700 0.00074 0.00032 0.09630 234 2S -0.00033 0.00766 0.00039 0.00011 0.05518 235 27 H 1S 0.00000 -0.00012 -0.00052 -0.00002 -0.00002 236 2S 0.00009 -0.00146 -0.00671 -0.00032 -0.00024 237 28 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 238 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 239 3S 0.00000 0.00000 0.00000 0.00000 0.00000 240 4S -0.00000 0.00000 0.00000 0.00000 0.00000 241 5S 0.00000 -0.00000 -0.00001 -0.00000 -0.00003 242 6S 0.00000 0.00007 0.00009 0.00001 -0.00027 243 7PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 244 7PY 0.00000 0.00000 0.00000 -0.00000 0.00000 245 7PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 246 8PX -0.00000 0.00000 0.00000 0.00000 0.00000 247 8PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 248 8PZ -0.00000 0.00000 0.00000 0.00000 0.00000 249 9PX 0.00000 -0.00003 -0.00007 -0.00000 -0.00008 250 9PY -0.00000 0.00000 0.00000 -0.00000 0.00000 251 9PZ 0.00000 -0.00001 -0.00003 -0.00001 -0.00010 252 10PX 0.00007 -0.00120 -0.00134 -0.00005 -0.00195 253 10PY -0.00000 0.00006 0.00007 0.00004 0.00003 254 10PZ 0.00001 -0.00010 -0.00026 -0.00013 -0.00207 255 11XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 256 11YY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 257 11ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 258 11XY -0.00000 0.00000 -0.00000 -0.00000 0.00000 259 11XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 260 11YZ -0.00000 0.00000 0.00000 0.00000 0.00000 261 12XX -0.00000 -0.00000 0.00003 -0.00001 0.00002 262 12YY -0.00000 -0.00000 -0.00000 0.00000 -0.00001 263 12ZZ 0.00000 -0.00004 -0.00006 -0.00001 -0.00008 264 12XY 0.00000 -0.00000 0.00000 0.00000 -0.00000 265 12XZ -0.00000 0.00001 0.00013 0.00000 0.00007 266 12YZ 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 267 29 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 268 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 269 2PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 270 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 271 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 272 3S -0.00000 -0.00000 0.00000 -0.00003 0.00000 273 3PX 0.00000 -0.00001 -0.00000 -0.00002 -0.00000 274 3PY 0.00000 -0.00001 0.00000 -0.00006 0.00000 275 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00001 276 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 277 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 278 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 279 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 280 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 281 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 282 30 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 283 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 284 31 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 285 2S 0.00000 0.00000 -0.00000 0.00005 0.00002 286 32 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 287 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 288 33 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 289 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 290 34 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 291 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 292 35 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 293 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 294 36 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 295 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 296 37 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 297 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 298 38 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 299 2S -0.00000 0.00000 0.00000 0.00000 0.00000 300 39 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 301 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 302 40 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 303 2S -0.00000 0.00000 0.00000 0.00000 0.00000 111 112 113 114 115 111 3S 0.35471 112 3PX 0.00000 0.05999 113 3PY 0.00000 -0.00000 0.11028 114 3PZ 0.00000 -0.00000 -0.00000 0.10315 115 4XX -0.00539 0.00000 0.00000 0.00000 0.00183 116 4YY 0.00115 0.00000 0.00000 0.00000 -0.00019 117 4ZZ 0.00058 0.00000 0.00000 0.00000 -0.00024 118 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 119 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 120 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 121 9 C 1S 0.00049 -0.00033 -0.00060 -0.00015 -0.00001 122 2S 0.00246 0.00503 0.00950 0.00327 0.00017 123 2PX 0.01643 -0.00108 0.01355 0.00311 -0.00061 124 2PY 0.02262 0.01259 0.00220 0.00506 0.00049 125 2PZ 0.00344 0.00263 0.00557 -0.00287 0.00011 126 3S -0.01681 0.00014 0.00187 0.00205 0.00046 127 3PX 0.01225 -0.00334 0.00784 0.00197 -0.00087 128 3PY 0.01712 0.00668 -0.00479 0.00116 0.00062 129 3PZ 0.00158 0.00201 0.00344 -0.00547 0.00017 130 4XX 0.00052 -0.00028 0.00061 0.00009 0.00002 131 4YY 0.00096 0.00070 -0.00056 0.00030 -0.00006 132 4ZZ -0.00078 -0.00038 -0.00028 -0.00033 -0.00001 133 4XY 0.00086 -0.00003 0.00007 0.00020 -0.00002 134 4XZ 0.00025 -0.00001 0.00023 0.00005 0.00000 135 4YZ 0.00036 0.00014 0.00002 0.00014 -0.00007 136 10 C 1S 0.00000 0.00001 0.00005 0.00005 0.00000 137 2S -0.00040 -0.00006 -0.00121 -0.00091 -0.00000 138 2PX -0.00005 0.00022 -0.00002 0.00008 -0.00000 139 2PY -0.00207 -0.00044 -0.00235 -0.00160 -0.00000 140 2PZ -0.00112 -0.00015 -0.00253 -0.00046 -0.00000 141 3S -0.00076 -0.00034 -0.00308 -0.00383 -0.00006 142 3PX -0.00015 0.00071 0.00015 0.00038 0.00001 143 3PY -0.00535 -0.00043 -0.00246 -0.00266 -0.00013 144 3PZ -0.00357 -0.00019 -0.00430 -0.00054 -0.00010 145 4XX -0.00002 0.00000 -0.00006 -0.00002 0.00000 146 4YY 0.00014 0.00002 0.00016 0.00012 -0.00000 147 4ZZ -0.00005 -0.00001 -0.00001 -0.00001 -0.00000 148 4XY 0.00001 -0.00003 0.00002 0.00001 0.00000 149 4XZ 0.00001 -0.00002 0.00002 0.00000 -0.00000 150 4YZ 0.00003 0.00001 0.00006 0.00003 -0.00000 151 11 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 152 2S 0.00001 0.00001 0.00003 0.00001 0.00000 153 2PX 0.00001 0.00000 0.00002 0.00001 0.00000 154 2PY 0.00003 0.00004 0.00008 0.00002 0.00000 155 2PZ 0.00003 0.00002 0.00005 0.00001 0.00000 156 3S 0.00014 0.00018 0.00046 0.00016 0.00000 157 3PX 0.00016 0.00000 0.00032 0.00012 0.00000 158 3PY 0.00028 0.00030 0.00056 0.00025 0.00000 159 3PZ 0.00034 0.00011 0.00033 0.00006 0.00000 160 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 161 4YY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 162 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 163 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 164 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 166 12 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 167 2S -0.00004 -0.00001 -0.00008 -0.00003 -0.00000 168 13 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 169 2S 0.00003 -0.00003 0.00005 0.00002 0.00000 170 14 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 171 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 172 2PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 173 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 174 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 175 3S 0.00000 0.00004 0.00002 0.00003 -0.00000 176 3PX 0.00000 -0.00004 -0.00001 -0.00000 -0.00000 177 3PY -0.00005 0.00002 -0.00002 -0.00002 0.00000 178 3PZ -0.00001 0.00005 0.00007 0.00001 0.00000 179 4XX -0.00000 0.00000 0.00000 -0.00000 0.00000 180 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 181 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 182 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 183 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 184 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 185 15 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 186 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 187 16 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 188 2S -0.00001 -0.00001 -0.00000 0.00000 0.00000 189 17 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 190 2S 0.00002 0.00002 0.00001 0.00001 -0.00000 191 2PX 0.00007 0.00004 0.00003 0.00002 -0.00000 192 2PY 0.00002 -0.00000 0.00000 0.00001 -0.00000 193 2PZ 0.00002 -0.00000 0.00002 0.00000 -0.00000 194 3S 0.00036 0.00035 0.00003 0.00012 -0.00000 195 3PX 0.00072 0.00029 0.00013 0.00019 -0.00001 196 3PY 0.00031 0.00017 0.00002 0.00012 -0.00000 197 3PZ 0.00030 0.00007 0.00013 0.00002 -0.00000 198 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 199 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 200 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 201 4XY 0.00000 -0.00000 0.00000 0.00000 -0.00000 202 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 203 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 204 18 C 1S 0.00006 0.00006 -0.00000 0.00003 -0.00000 205 2S -0.00103 -0.00102 0.00007 -0.00056 0.00001 206 2PX -0.00297 -0.00140 -0.00041 -0.00066 0.00007 207 2PY -0.00056 0.00011 -0.00015 -0.00008 -0.00000 208 2PZ -0.00095 0.00066 -0.00029 -0.00002 0.00002 209 3S -0.00363 -0.00326 0.00059 -0.00133 0.00022 210 3PX -0.00633 -0.00077 -0.00069 -0.00064 0.00041 211 3PY -0.00119 0.00043 0.00005 -0.00001 -0.00002 212 3PZ -0.00228 0.00092 -0.00053 -0.00005 0.00016 213 4XX 0.00016 0.00017 0.00003 0.00011 0.00000 214 4YY -0.00002 -0.00006 -0.00001 -0.00002 -0.00000 215 4ZZ -0.00007 0.00000 0.00001 -0.00002 0.00000 216 4XY 0.00006 0.00003 -0.00005 0.00003 -0.00000 217 4XZ 0.00006 0.00007 0.00001 0.00001 0.00000 218 4YZ 0.00001 0.00002 0.00000 0.00000 -0.00000 219 19 H 1S -0.00038 -0.00046 -0.00004 -0.00020 0.00000 220 2S -0.00221 -0.00175 -0.00008 -0.00012 -0.00001 221 20 H 1S -0.00065 0.00031 0.00002 -0.00007 0.00000 222 2S -0.00330 0.00097 0.00015 -0.00031 -0.00005 223 21 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 224 2S -0.00002 -0.00005 0.00005 0.00000 0.00000 225 22 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 226 2S -0.00004 -0.00004 -0.00002 -0.00002 0.00000 227 23 H 1S -0.00011 -0.00001 -0.00004 -0.00017 0.00000 228 2S -0.00110 -0.00005 -0.00016 0.00007 0.00001 229 24 H 1S -0.00387 -0.00170 -0.00235 -0.00001 0.00001 230 2S -0.01233 -0.00476 -0.00740 -0.00009 0.00013 231 25 H 1S 0.04023 0.00339 0.05487 0.00896 -0.00113 232 2S 0.01223 0.00260 0.04574 0.00747 -0.00205 233 26 H 1S 0.03391 -0.00000 0.00016 0.06711 -0.00106 234 2S 0.00250 -0.00004 0.00014 0.05973 -0.00219 235 27 H 1S -0.00176 -0.00324 -0.00007 -0.00023 0.00005 236 2S -0.00199 -0.01064 -0.00058 -0.00077 0.00001 237 28 Br 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 238 2S 0.00002 0.00003 -0.00001 0.00002 0.00000 239 3S -0.00003 -0.00005 0.00001 -0.00003 -0.00000 240 4S -0.00010 -0.00016 0.00004 -0.00008 0.00000 241 5S -0.00022 -0.00023 -0.00006 -0.00066 -0.00000 242 6S -0.00016 0.00053 0.00005 -0.00062 -0.00002 243 7PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 244 7PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 245 7PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 246 8PX 0.00009 0.00008 -0.00000 0.00004 0.00000 247 8PY -0.00000 0.00000 0.00001 -0.00000 -0.00000 248 8PZ 0.00003 0.00001 0.00000 0.00015 0.00000 249 9PX -0.00222 -0.00152 0.00000 -0.00026 -0.00000 250 9PY 0.00006 -0.00000 -0.00024 0.00005 0.00000 251 9PZ -0.00015 0.00001 -0.00018 -0.00257 -0.00000 252 10PX -0.01056 -0.00368 0.00007 -0.00129 -0.00011 253 10PY 0.00029 0.00004 -0.00099 0.00016 0.00001 254 10PZ 0.00016 0.00110 -0.00054 -0.00663 -0.00008 255 11XX 0.00005 0.00006 -0.00002 0.00002 0.00000 256 11YY 0.00005 0.00007 -0.00001 0.00006 0.00000 257 11ZZ 0.00005 0.00009 -0.00001 0.00006 0.00000 258 11XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 259 11XZ 0.00000 0.00000 0.00000 -0.00002 0.00000 260 11YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 261 12XX 0.00034 0.00027 -0.00009 0.00049 0.00000 262 12YY 0.00012 0.00004 -0.00000 -0.00005 -0.00000 263 12ZZ 0.00000 -0.00000 -0.00011 -0.00040 0.00000 264 12XY -0.00003 -0.00001 0.00001 -0.00002 0.00000 265 12XZ -0.00028 0.00016 0.00002 0.00016 0.00001 266 12YZ -0.00001 -0.00002 -0.00006 -0.00005 -0.00000 267 29 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 268 2S 0.00001 0.00000 0.00001 0.00000 0.00000 269 2PX -0.00000 0.00000 0.00001 -0.00000 0.00000 270 2PY 0.00000 0.00001 0.00004 -0.00000 -0.00000 271 2PZ 0.00000 0.00000 -0.00000 -0.00001 0.00000 272 3S 0.00003 0.00005 -0.00017 0.00000 0.00000 273 3PX -0.00006 0.00001 -0.00005 -0.00000 0.00000 274 3PY 0.00002 0.00006 0.00006 -0.00000 0.00000 275 3PZ -0.00000 0.00001 -0.00001 -0.00009 -0.00000 276 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 277 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 278 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 279 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 280 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 281 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 282 30 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 283 2S -0.00001 0.00000 -0.00004 0.00000 0.00000 284 31 H 1S -0.00001 -0.00001 0.00006 -0.00003 -0.00000 285 2S -0.00009 -0.00003 0.00053 -0.00001 -0.00000 286 32 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 287 2S 0.00001 -0.00000 0.00003 -0.00000 0.00000 288 33 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 289 2S -0.00001 -0.00001 0.00000 -0.00001 -0.00000 290 34 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 291 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 292 35 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 293 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 294 36 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 295 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 296 37 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 297 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 298 38 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 299 2S 0.00000 0.00000 0.00000 0.00000 0.00000 300 39 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 301 2S -0.00003 -0.00012 -0.00003 0.00001 -0.00000 302 40 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 303 2S 0.00012 0.00015 0.00002 0.00000 0.00000 116 117 118 119 120 116 4YY 0.00173 117 4ZZ -0.00019 0.00191 118 4XY 0.00000 0.00000 0.00065 119 4XZ -0.00000 -0.00000 0.00000 0.00041 120 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00063 121 9 C 1S -0.00002 0.00000 -0.00005 -0.00001 -0.00002 122 2S 0.00039 -0.00017 0.00096 0.00025 0.00034 123 2PX 0.00100 -0.00008 0.00016 0.00004 0.00052 124 2PY -0.00067 -0.00013 0.00051 0.00054 0.00028 125 2PZ 0.00043 -0.00002 0.00053 0.00007 0.00011 126 3S 0.00081 -0.00051 0.00049 0.00012 0.00017 127 3PX 0.00105 -0.00014 -0.00001 -0.00000 0.00011 128 3PY -0.00104 0.00029 0.00003 0.00012 0.00002 129 3PZ 0.00041 -0.00035 0.00014 0.00011 0.00019 130 4XX -0.00009 -0.00000 -0.00001 -0.00000 0.00002 131 4YY 0.00004 -0.00001 -0.00002 0.00000 -0.00002 132 4ZZ 0.00000 0.00001 -0.00000 0.00000 0.00000 133 4XY 0.00005 -0.00005 0.00003 -0.00001 -0.00002 134 4XZ -0.00007 -0.00000 0.00001 -0.00000 -0.00000 135 4YZ -0.00002 -0.00000 -0.00002 -0.00000 -0.00001 136 10 C 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 137 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 138 2PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 139 2PY 0.00001 0.00001 -0.00000 0.00000 0.00002 140 2PZ 0.00001 0.00001 -0.00000 0.00000 0.00002 141 3S 0.00000 0.00012 -0.00000 -0.00000 0.00004 142 3PX -0.00000 -0.00002 -0.00001 0.00001 -0.00000 143 3PY 0.00003 0.00023 -0.00001 0.00001 0.00012 144 3PZ 0.00007 0.00010 -0.00000 0.00000 0.00006 145 4XX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 146 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 147 4ZZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 148 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 149 4XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 150 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 151 11 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 152 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 153 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 154 2PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 155 2PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 156 3S -0.00000 -0.00000 0.00000 0.00000 0.00000 157 3PX -0.00000 -0.00000 0.00000 0.00000 0.00000 158 3PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 159 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 160 4XX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 161 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 162 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 163 4XY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 164 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 165 4YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 166 12 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 167 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 168 13 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 169 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 170 14 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 171 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 172 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 173 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 174 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 175 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 176 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 177 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 178 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 179 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 180 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 181 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 182 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 183 4XZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 184 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 185 15 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 186 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 187 16 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 188 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 189 17 C 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 190 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 191 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 192 2PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 193 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 194 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 195 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 196 3PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 197 3PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 198 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 199 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 200 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 201 4XY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 202 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 203 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 204 18 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 205 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 206 2PX -0.00001 0.00001 0.00000 0.00003 0.00000 207 2PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 208 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 209 3S -0.00012 0.00003 -0.00001 0.00002 0.00000 210 3PX -0.00025 0.00008 0.00001 0.00011 0.00000 211 3PY 0.00001 -0.00001 0.00001 0.00000 0.00000 212 3PZ -0.00004 -0.00002 -0.00001 0.00000 0.00000 213 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 214 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 215 4ZZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 216 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 217 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 218 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 219 19 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 220 2S 0.00002 -0.00002 0.00000 -0.00002 0.00000 221 20 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 222 2S 0.00001 0.00002 0.00000 -0.00000 -0.00000 223 21 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 224 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 225 22 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 226 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 227 23 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 228 2S 0.00001 -0.00002 0.00000 -0.00000 -0.00003 229 24 H 1S 0.00006 -0.00001 0.00004 0.00001 0.00001 230 2S 0.00052 -0.00031 0.00005 0.00003 0.00007 231 25 H 1S 0.00526 -0.00072 0.00063 0.00002 0.00161 232 2S 0.00472 -0.00149 0.00011 -0.00000 0.00030 233 26 H 1S -0.00092 0.00767 0.00001 -0.00003 0.00010 234 2S -0.00229 0.00601 0.00000 -0.00000 0.00003 235 27 H 1S 0.00000 -0.00000 0.00001 0.00001 0.00000 236 2S 0.00011 -0.00006 0.00007 0.00005 0.00000 237 28 Br 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 238 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 239 3S 0.00000 -0.00000 0.00000 -0.00000 0.00000 240 4S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 241 5S -0.00000 0.00000 0.00000 -0.00000 -0.00000 242 6S 0.00000 0.00001 -0.00000 -0.00002 0.00000 243 7PX 0.00000 0.00000 0.00000 -0.00000 0.00000 244 7PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 245 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 8PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 247 8PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 248 8PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 249 9PX -0.00000 0.00001 0.00000 0.00000 -0.00000 250 9PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 251 9PZ -0.00000 0.00001 0.00000 0.00001 -0.00000 252 10PX -0.00007 0.00031 0.00001 0.00004 -0.00000 253 10PY -0.00000 0.00000 -0.00001 -0.00000 0.00001 254 10PZ -0.00013 0.00026 0.00001 0.00012 -0.00001 255 11XX -0.00000 0.00000 -0.00000 0.00000 -0.00000 256 11YY -0.00000 0.00000 0.00000 0.00000 0.00000 257 11ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 258 11XY -0.00000 0.00000 0.00000 -0.00000 -0.00000 259 11XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 260 11YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 261 12XX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 262 12YY -0.00000 0.00000 0.00000 0.00000 0.00000 263 12ZZ -0.00000 0.00001 0.00000 0.00001 -0.00000 264 12XY -0.00000 0.00000 0.00000 0.00000 0.00000 265 12XZ -0.00000 -0.00000 -0.00000 0.00001 0.00000 266 12YZ -0.00000 0.00000 0.00000 0.00000 0.00000 267 29 C 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 268 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 269 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 270 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 271 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 272 3S -0.00000 0.00000 -0.00000 -0.00000 0.00000 273 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 274 3PY -0.00001 0.00000 -0.00000 -0.00000 0.00000 275 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 276 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 277 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 278 4ZZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 279 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 280 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 281 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 282 30 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 283 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 284 31 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 285 2S 0.00000 0.00000 0.00000 0.00000 0.00000 286 32 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 287 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 288 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 289 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 290 34 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 291 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 292 35 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 293 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 294 36 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 295 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 296 37 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 297 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 298 38 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 299 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 300 39 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 301 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 302 40 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 303 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 121 122 123 124 125 121 9 C 1S 2.05196 122 2S -0.01155 0.30856 123 2PX 0.00000 0.00000 0.39054 124 2PY 0.00000 0.00000 0.00000 0.38590 125 2PZ 0.00000 0.00000 0.00000 -0.00000 0.39847 126 3S -0.03705 0.23256 0.00000 0.00000 0.00000 127 3PX 0.00000 0.00000 0.09674 0.00000 0.00000 128 3PY 0.00000 0.00000 0.00000 0.08913 -0.00000 129 3PZ 0.00000 0.00000 0.00000 -0.00000 0.10023 130 4XX -0.00116 -0.00393 0.00000 0.00000 0.00000 131 4YY -0.00119 -0.00327 0.00000 0.00000 0.00000 132 4ZZ -0.00125 -0.00247 0.00000 0.00000 0.00000 133 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 134 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 135 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 136 10 C 1S 0.00000 -0.00013 -0.00021 -0.00037 -0.00052 137 2S -0.00013 0.00342 0.00442 0.00773 0.01104 138 2PX -0.00019 0.00377 -0.00031 0.00592 0.00887 139 2PY -0.00038 0.00767 0.00661 0.00479 0.01723 140 2PZ -0.00054 0.01118 0.00959 0.01678 0.01269 141 3S 0.00032 0.00130 0.00509 0.00875 0.01339 142 3PX -0.00020 0.00259 -0.00106 0.00276 0.00592 143 3PY -0.00016 0.00608 0.00436 -0.00082 0.01293 144 3PZ -0.00064 0.00939 0.00553 0.00864 0.00068 145 4XX 0.00000 -0.00015 -0.00009 -0.00031 -0.00018 146 4YY -0.00001 0.00017 0.00021 -0.00035 0.00055 147 4ZZ -0.00001 0.00027 0.00029 0.00092 -0.00063 148 4XY -0.00002 0.00040 -0.00001 0.00008 0.00073 149 4XZ -0.00002 0.00044 -0.00000 0.00071 0.00017 150 4YZ -0.00005 0.00100 0.00079 0.00019 0.00071 151 11 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 152 2S 0.00000 -0.00003 -0.00000 -0.00011 -0.00004 153 2PX 0.00000 -0.00000 0.00001 -0.00001 -0.00001 154 2PY 0.00000 -0.00009 0.00001 -0.00016 -0.00019 155 2PZ 0.00000 -0.00007 0.00001 -0.00020 -0.00002 156 3S 0.00004 -0.00039 -0.00004 -0.00237 -0.00026 157 3PX 0.00001 -0.00008 0.00041 -0.00039 -0.00008 158 3PY 0.00007 -0.00091 0.00005 -0.00093 -0.00196 159 3PZ 0.00007 -0.00090 0.00001 -0.00130 0.00009 160 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 161 4YY -0.00000 0.00000 -0.00000 0.00002 0.00002 162 4ZZ -0.00000 0.00000 -0.00000 0.00001 0.00000 163 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 164 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 165 4YZ -0.00000 0.00001 -0.00000 0.00004 0.00002 166 12 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 167 2S -0.00000 0.00008 0.00000 0.00023 0.00014 168 13 H 1S 0.00000 -0.00000 0.00000 -0.00001 -0.00000 169 2S 0.00001 -0.00019 0.00006 -0.00035 -0.00013 170 14 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 171 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 172 2PX 0.00000 -0.00000 0.00000 -0.00001 -0.00001 173 2PY 0.00000 -0.00000 -0.00001 0.00000 -0.00000 174 2PZ 0.00000 -0.00001 -0.00001 0.00000 -0.00001 175 3S 0.00000 -0.00018 -0.00030 -0.00012 -0.00013 176 3PX -0.00000 -0.00009 0.00002 -0.00010 -0.00002 177 3PY 0.00000 -0.00004 -0.00013 0.00002 0.00015 178 3PZ 0.00001 -0.00032 -0.00038 -0.00013 -0.00042 179 4XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 180 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 181 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 182 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 183 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 184 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 185 15 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 186 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 187 16 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 188 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00002 189 17 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 -0.00003 -0.00012 -0.00000 -0.00001 191 2PX 0.00000 -0.00013 -0.00038 0.00002 -0.00009 192 2PY 0.00000 -0.00001 -0.00001 0.00000 -0.00001 193 2PZ 0.00000 -0.00004 -0.00012 -0.00000 0.00000 194 3S 0.00003 -0.00047 -0.00190 -0.00012 -0.00006 195 3PX 0.00010 -0.00163 -0.00252 0.00027 -0.00106 196 3PY 0.00000 -0.00008 -0.00036 0.00029 -0.00015 197 3PZ 0.00004 -0.00055 -0.00124 -0.00006 -0.00000 198 4XX -0.00000 0.00001 0.00006 -0.00000 0.00001 199 4YY 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 200 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 201 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 202 4XZ -0.00000 0.00001 0.00003 -0.00000 0.00000 203 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 204 18 C 1S 0.00000 -0.00014 -0.00078 -0.00020 -0.00016 205 2S -0.00014 0.00368 0.01577 0.00409 0.00328 206 2PX -0.00083 0.01780 0.03464 0.01303 0.00960 207 2PY -0.00021 0.00444 0.01270 -0.00049 0.00245 208 2PZ -0.00014 0.00318 0.00895 0.00240 -0.00081 209 3S 0.00027 0.00244 0.01828 0.00570 0.00419 210 3PX -0.00080 0.01400 0.00975 0.00900 0.00529 211 3PY -0.00033 0.00426 0.00776 -0.00274 0.00134 212 3PZ -0.00020 0.00252 0.00491 0.00153 -0.00243 213 4XX -0.00005 0.00132 0.00012 0.00100 0.00072 214 4YY 0.00000 -0.00022 -0.00047 -0.00007 -0.00009 215 4ZZ 0.00000 -0.00022 -0.00028 -0.00015 -0.00002 216 4XY -0.00004 0.00070 0.00100 0.00000 0.00040 217 4XZ -0.00003 0.00055 0.00078 0.00039 0.00010 218 4YZ -0.00001 0.00012 0.00042 0.00000 0.00005 219 19 H 1S 0.00000 -0.00014 -0.00012 -0.00019 -0.00023 220 2S 0.00013 -0.00251 -0.00140 -0.00306 -0.00385 221 20 H 1S 0.00000 -0.00013 -0.00035 -0.00015 -0.00001 222 2S 0.00014 -0.00218 -0.00476 -0.00255 -0.00015 223 21 H 1S 0.00000 -0.00000 -0.00001 -0.00000 0.00000 224 2S 0.00001 -0.00014 -0.00034 0.00007 -0.00002 225 22 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 226 2S -0.00000 0.00008 0.00029 0.00000 0.00003 227 23 H 1S 0.00000 -0.00015 -0.00009 -0.00001 -0.00046 228 2S 0.00015 -0.00262 -0.00123 0.00006 -0.00746 229 24 H 1S -0.00168 0.02649 0.00658 0.03281 0.05941 230 2S -0.00032 0.00572 0.00393 0.02039 0.03800 231 25 H 1S 0.00000 -0.00011 -0.00003 -0.00043 0.00000 232 2S 0.00009 -0.00196 -0.00010 -0.00703 0.00016 233 26 H 1S 0.00000 -0.00011 -0.00006 -0.00010 -0.00030 234 2S 0.00010 -0.00153 -0.00082 -0.00141 -0.00408 235 27 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 236 2S -0.00000 0.00004 0.00022 0.00006 0.00001 237 28 Br 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 238 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 239 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 240 4S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 241 5S -0.00000 0.00000 0.00000 0.00000 0.00000 242 6S 0.00000 -0.00001 -0.00002 -0.00000 -0.00000 243 7PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 244 7PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 245 7PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 246 8PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 247 8PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 248 8PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 249 9PX 0.00000 0.00000 -0.00000 0.00000 0.00000 250 9PY -0.00000 0.00000 0.00000 0.00000 -0.00000 251 9PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 252 10PX 0.00000 0.00001 0.00001 0.00001 0.00003 253 10PY -0.00000 0.00000 0.00001 0.00001 -0.00002 254 10PZ 0.00000 -0.00003 -0.00003 0.00002 0.00001 255 11XX -0.00000 0.00000 -0.00000 -0.00000 0.00000 256 11YY 0.00000 0.00000 -0.00000 0.00000 0.00000 257 11ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 258 11XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 259 11XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 260 11YZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 261 12XX -0.00000 0.00000 0.00000 0.00000 0.00000 262 12YY -0.00000 0.00000 -0.00000 0.00000 0.00000 263 12ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 264 12XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 265 12XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 266 12YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 267 29 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 268 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 269 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 270 2PY 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 271 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 272 3S 0.00000 -0.00008 -0.00018 -0.00018 -0.00001 273 3PX 0.00000 -0.00002 0.00001 0.00012 0.00002 274 3PY 0.00001 -0.00020 -0.00029 -0.00023 0.00001 275 3PZ -0.00000 0.00001 -0.00001 0.00013 -0.00007 276 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 277 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 278 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 279 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 280 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 281 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 282 30 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 283 2S -0.00000 0.00000 -0.00000 0.00001 0.00000 284 31 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 285 2S -0.00000 -0.00001 0.00016 0.00013 -0.00003 286 32 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 287 2S 0.00000 0.00000 0.00001 -0.00003 -0.00000 288 33 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 289 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 290 34 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 291 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 292 35 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 293 2S -0.00000 0.00000 0.00000 0.00000 0.00000 294 36 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 295 2S -0.00000 0.00000 0.00000 0.00000 0.00000 296 37 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 297 2S -0.00000 0.00000 0.00000 0.00000 0.00000 298 38 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 299 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 300 39 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 301 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 302 40 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 303 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 126 127 128 129 130 126 3S 0.31760 127 3PX 0.00000 0.08202 128 3PY 0.00000 0.00000 0.07199 129 3PZ 0.00000 0.00000 -0.00000 0.08252 130 4XX -0.00333 0.00000 0.00000 0.00000 0.00113 131 4YY -0.00246 0.00000 0.00000 0.00000 -0.00004 132 4ZZ -0.00079 0.00000 0.00000 0.00000 -0.00013 133 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 135 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 136 10 C 1S 0.00041 -0.00014 -0.00015 -0.00059 0.00000 137 2S 0.00165 0.00345 0.00465 0.00893 -0.00014 138 2PX 0.00608 -0.00265 0.00408 0.00657 -0.00008 139 2PY 0.01106 0.00451 -0.00084 0.00936 -0.00012 140 2PZ 0.01892 0.00757 0.01097 0.00070 -0.00002 141 3S -0.00969 0.00196 0.00208 0.00870 -0.00009 142 3PX 0.00530 -0.00300 0.00245 0.00551 -0.00034 143 3PY 0.00635 0.00315 -0.00015 0.00832 0.00015 144 3PZ 0.01423 0.00484 0.00607 -0.00468 0.00006 145 4XX -0.00032 -0.00045 -0.00032 -0.00022 0.00001 146 4YY 0.00021 0.00019 -0.00044 0.00073 0.00001 147 4ZZ 0.00059 0.00039 0.00068 -0.00073 -0.00003 148 4XY 0.00029 0.00003 -0.00000 0.00018 0.00000 149 4XZ 0.00028 0.00003 0.00013 0.00001 -0.00000 150 4YZ 0.00074 0.00025 -0.00004 0.00004 -0.00002 151 11 C 1S 0.00004 -0.00000 0.00009 0.00002 0.00000 152 2S -0.00054 0.00010 -0.00099 -0.00005 -0.00000 153 2PX -0.00006 0.00027 0.00017 0.00003 0.00000 154 2PY -0.00152 0.00026 -0.00029 -0.00161 -0.00000 155 2PZ -0.00238 0.00036 -0.00152 0.00004 -0.00000 156 3S -0.00136 0.00034 -0.00488 -0.00012 0.00000 157 3PX -0.00048 0.00160 -0.00002 0.00001 -0.00000 158 3PY -0.00380 0.00040 -0.00029 -0.00357 -0.00010 159 3PZ -0.00587 0.00049 -0.00226 0.00019 0.00000 160 4XX -0.00005 0.00001 -0.00007 -0.00011 0.00000 161 4YY 0.00004 -0.00002 0.00008 0.00014 -0.00000 162 4ZZ 0.00006 -0.00002 0.00007 0.00007 0.00000 163 4XY -0.00002 -0.00003 -0.00002 -0.00000 0.00000 164 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 165 4YZ 0.00018 -0.00003 0.00020 0.00007 -0.00000 166 12 H 1S 0.00009 0.00000 0.00011 0.00007 0.00000 167 2S 0.00142 0.00004 0.00157 0.00086 -0.00000 168 13 H 1S -0.00051 0.00016 -0.00084 0.00005 0.00000 169 2S -0.00351 0.00054 -0.00290 -0.00018 0.00000 170 14 C 1S 0.00000 0.00001 -0.00000 0.00001 -0.00000 171 2S -0.00019 -0.00021 -0.00001 -0.00044 0.00000 172 2PX -0.00005 0.00007 -0.00022 -0.00026 0.00000 173 2PY -0.00029 -0.00026 0.00006 -0.00024 -0.00000 174 2PZ -0.00011 -0.00003 0.00038 -0.00038 -0.00000 175 3S -0.00168 -0.00132 -0.00024 -0.00139 0.00002 176 3PX -0.00021 0.00004 -0.00048 -0.00027 0.00002 177 3PY -0.00098 -0.00050 0.00003 -0.00025 -0.00000 178 3PZ -0.00113 -0.00061 0.00058 -0.00114 -0.00001 179 4XX 0.00003 0.00002 -0.00001 0.00000 -0.00000 180 4YY 0.00002 -0.00000 0.00000 0.00001 0.00000 181 4ZZ -0.00004 -0.00002 0.00000 0.00001 0.00000 182 4XY -0.00001 -0.00000 -0.00000 0.00001 -0.00000 183 4XZ -0.00000 0.00001 -0.00001 -0.00000 0.00000 184 4YZ 0.00001 -0.00001 0.00001 0.00000 0.00000 185 15 H 1S 0.00000 0.00000 -0.00000 0.00001 -0.00000 186 2S 0.00007 0.00004 -0.00002 0.00012 -0.00000 187 16 H 1S -0.00005 -0.00003 -0.00002 -0.00000 0.00000 188 2S -0.00076 -0.00016 -0.00017 0.00005 -0.00000 189 17 C 1S 0.00002 0.00008 0.00001 0.00000 -0.00000 190 2S -0.00030 -0.00102 0.00005 0.00006 0.00001 191 2PX -0.00242 -0.00291 0.00066 -0.00082 0.00005 192 2PY 0.00024 0.00023 0.00031 -0.00010 0.00001 193 2PZ -0.00088 -0.00088 0.00001 -0.00001 0.00001 194 3S -0.00026 -0.00405 0.00003 0.00044 0.00009 195 3PX -0.00615 -0.00460 0.00130 -0.00192 0.00027 196 3PY 0.00033 0.00009 0.00137 -0.00031 0.00004 197 3PZ -0.00262 -0.00200 -0.00005 -0.00056 0.00008 198 4XX 0.00023 0.00048 -0.00006 0.00007 0.00000 199 4YY -0.00007 -0.00019 0.00001 -0.00004 -0.00000 200 4ZZ -0.00005 -0.00004 -0.00000 0.00001 -0.00000 201 4XY -0.00003 -0.00003 -0.00001 0.00001 0.00000 202 4XZ 0.00009 0.00017 -0.00002 0.00000 0.00000 203 4YZ -0.00000 -0.00000 -0.00001 -0.00000 0.00000 204 18 C 1S 0.00030 -0.00083 -0.00032 -0.00024 -0.00005 205 2S 0.00072 0.01312 0.00420 0.00299 0.00129 206 2PX 0.01923 0.01005 0.00855 0.00563 -0.00040 207 2PY 0.00712 0.00937 -0.00288 0.00161 0.00089 208 2PZ 0.00299 0.00677 0.00177 -0.00052 0.00075 209 3S -0.00913 0.01362 0.00526 0.00378 0.00218 210 3PX 0.01140 0.00020 0.00689 0.00389 -0.00022 211 3PY 0.00688 0.00732 -0.00510 0.00111 0.00067 212 3PZ 0.00154 0.00458 0.00131 -0.00125 0.00061 213 4XX 0.00218 0.00046 0.00081 0.00054 0.00001 214 4YY -0.00059 -0.00085 -0.00039 -0.00009 -0.00002 215 4ZZ -0.00079 -0.00058 -0.00024 -0.00033 -0.00003 216 4XY 0.00042 0.00012 0.00003 0.00007 -0.00000 217 4XZ 0.00035 0.00013 0.00010 0.00016 0.00000 218 4YZ 0.00007 0.00006 0.00002 0.00004 -0.00006 219 19 H 1S -0.00254 -0.00232 -0.00160 -0.00086 -0.00002 220 2S -0.00871 -0.00519 -0.00580 -0.00510 -0.00046 221 20 H 1S -0.00256 -0.00265 -0.00104 0.00014 0.00004 222 2S -0.00696 -0.00871 -0.00439 0.00007 0.00014 223 21 H 1S -0.00036 -0.00055 0.00003 0.00004 -0.00000 224 2S -0.00258 -0.00226 0.00029 0.00009 -0.00005 225 22 H 1S 0.00009 0.00019 0.00000 0.00001 -0.00000 226 2S 0.00130 0.00226 0.00002 0.00009 -0.00001 227 23 H 1S -0.00329 -0.00118 -0.00055 -0.00412 -0.00000 228 2S -0.01168 -0.00279 -0.00075 -0.01418 -0.00014 229 24 H 1S 0.04060 0.00274 0.02060 0.03779 -0.00114 230 2S 0.01221 0.00234 0.01933 0.03677 -0.00247 231 25 H 1S -0.00109 0.00007 -0.00508 0.00004 -0.00001 232 2S -0.00315 0.00087 -0.01587 0.00033 -0.00028 233 26 H 1S -0.00151 -0.00055 0.00065 -0.00289 -0.00000 234 2S -0.00324 -0.00131 0.00069 -0.00831 -0.00003 235 27 H 1S 0.00004 0.00009 0.00004 0.00001 -0.00000 236 2S 0.00043 0.00132 0.00036 0.00010 -0.00000 237 28 Br 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 238 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 239 3S 0.00000 0.00001 -0.00000 -0.00000 0.00000 240 4S 0.00001 0.00003 -0.00001 -0.00000 0.00000 241 5S 0.00002 0.00003 0.00000 0.00003 0.00000 242 6S -0.00003 0.00009 -0.00002 0.00002 0.00000 243 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 244 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 245 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 8PX -0.00000 0.00000 -0.00000 0.00000 0.00000 247 8PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 248 8PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 249 9PX -0.00004 -0.00011 0.00009 -0.00010 -0.00000 250 9PY 0.00001 0.00001 0.00000 -0.00001 -0.00000 251 9PZ -0.00001 -0.00001 0.00006 0.00001 -0.00000 252 10PX -0.00031 -0.00053 0.00052 -0.00052 -0.00001 253 10PY 0.00015 0.00004 0.00000 -0.00007 0.00000 254 10PZ -0.00017 -0.00012 0.00038 0.00007 0.00000 255 11XX -0.00000 -0.00001 0.00000 0.00000 -0.00000 256 11YY -0.00000 -0.00001 0.00000 0.00000 -0.00000 257 11ZZ -0.00000 -0.00001 0.00000 -0.00000 -0.00000 258 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 11XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 260 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 12XX -0.00007 -0.00013 0.00004 0.00001 -0.00000 262 12YY -0.00002 -0.00007 0.00000 0.00002 -0.00000 263 12ZZ -0.00001 -0.00008 0.00003 0.00001 -0.00000 264 12XY -0.00001 -0.00003 0.00000 -0.00001 0.00000 265 12XZ -0.00001 -0.00007 -0.00001 -0.00000 0.00000 266 12YZ -0.00000 -0.00002 -0.00000 0.00001 -0.00000 267 29 C 1S 0.00000 -0.00000 0.00001 0.00000 -0.00000 268 2S -0.00010 0.00004 -0.00016 -0.00004 0.00000 269 2PX -0.00015 0.00014 -0.00007 -0.00007 0.00000 270 2PY -0.00018 0.00033 -0.00014 -0.00007 0.00000 271 2PZ -0.00001 -0.00006 -0.00009 -0.00004 -0.00000 272 3S -0.00063 -0.00049 -0.00107 -0.00005 0.00000 273 3PX -0.00040 0.00033 0.00047 -0.00004 -0.00001 274 3PY -0.00109 0.00032 -0.00061 -0.00008 -0.00000 275 3PZ 0.00001 -0.00011 0.00001 -0.00045 -0.00001 276 4XX 0.00001 -0.00001 0.00002 0.00000 -0.00000 277 4YY -0.00001 0.00000 -0.00001 0.00001 0.00000 278 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 279 4XY 0.00001 0.00000 0.00001 0.00000 0.00000 280 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 281 4YZ 0.00000 -0.00001 -0.00000 -0.00000 0.00000 282 30 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 283 2S 0.00005 -0.00011 0.00008 0.00005 0.00000 284 31 H 1S -0.00011 0.00031 0.00009 -0.00030 0.00000 285 2S 0.00000 0.00147 0.00112 -0.00069 -0.00001 286 32 H 1S -0.00002 -0.00001 -0.00003 -0.00000 -0.00000 287 2S -0.00021 -0.00006 -0.00027 -0.00001 -0.00000 288 33 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 289 2S 0.00006 0.00005 0.00002 0.00003 -0.00000 290 34 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 291 2S -0.00002 0.00001 0.00002 -0.00002 -0.00000 292 35 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 293 2S 0.00000 0.00000 0.00000 0.00000 0.00000 294 36 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 295 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 296 37 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 297 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 298 38 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 299 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 300 39 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 301 2S 0.00000 0.00001 0.00000 -0.00000 -0.00000 302 40 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 303 2S -0.00000 -0.00001 0.00000 0.00000 -0.00000 131 132 133 134 135 131 4YY 0.00074 132 4ZZ 0.00002 0.00098 133 4XY -0.00000 -0.00000 0.00114 134 4XZ 0.00000 0.00000 0.00000 0.00089 135 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00163 136 10 C 1S -0.00001 -0.00001 -0.00002 -0.00002 -0.00005 137 2S 0.00017 0.00027 0.00037 0.00045 0.00101 138 2PX 0.00025 0.00018 -0.00000 -0.00000 0.00080 139 2PY -0.00041 0.00066 0.00013 0.00087 0.00011 140 2PZ 0.00037 -0.00067 0.00084 0.00022 0.00061 141 3S 0.00018 0.00055 0.00023 0.00030 0.00063 142 3PX 0.00028 0.00014 0.00001 0.00007 0.00020 143 3PY -0.00063 0.00030 -0.00002 0.00021 -0.00003 144 3PZ 0.00041 -0.00071 0.00023 0.00001 0.00003 145 4XX 0.00001 -0.00003 0.00000 -0.00000 -0.00003 146 4YY -0.00000 -0.00003 -0.00001 -0.00004 0.00002 147 4ZZ -0.00003 0.00004 -0.00004 0.00003 -0.00005 148 4XY -0.00001 -0.00004 0.00000 0.00000 -0.00001 149 4XZ -0.00003 0.00003 0.00000 0.00001 -0.00002 150 4YZ 0.00001 -0.00006 0.00001 -0.00002 0.00005 151 11 C 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 152 2S 0.00001 -0.00000 0.00000 0.00000 0.00001 153 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00001 154 2PY 0.00003 0.00000 0.00000 0.00000 0.00004 155 2PZ 0.00002 -0.00000 0.00000 0.00000 0.00001 156 3S 0.00011 -0.00009 0.00001 0.00001 0.00008 157 3PX 0.00004 -0.00001 -0.00002 -0.00002 0.00002 158 3PY 0.00023 -0.00000 0.00002 0.00002 0.00009 159 3PZ 0.00013 -0.00003 0.00001 0.00001 0.00005 160 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 161 4YY -0.00000 0.00000 -0.00000 -0.00000 0.00000 162 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 163 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 164 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 165 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 166 12 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 167 2S -0.00001 0.00000 0.00000 0.00000 -0.00000 168 13 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 169 2S -0.00003 0.00002 0.00001 -0.00000 -0.00002 170 14 C 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 171 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 172 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 173 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 174 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 175 3S 0.00001 -0.00002 -0.00000 -0.00000 0.00001 176 3PX -0.00001 -0.00001 0.00000 0.00001 -0.00001 177 3PY 0.00001 0.00000 -0.00000 -0.00001 0.00000 178 3PZ 0.00000 0.00001 0.00000 -0.00001 -0.00000 179 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 180 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 181 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 182 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 184 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 185 15 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 186 2S -0.00000 0.00000 0.00000 0.00000 0.00000 187 16 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 188 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 189 17 C 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 190 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 191 2PX -0.00000 -0.00000 0.00001 0.00002 0.00000 192 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 193 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 194 3S -0.00001 -0.00003 0.00002 0.00003 0.00001 195 3PX -0.00006 -0.00001 0.00005 0.00005 0.00001 196 3PY -0.00001 -0.00001 -0.00004 0.00001 -0.00001 197 3PZ 0.00001 -0.00001 0.00002 0.00000 0.00000 198 4XX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 199 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 200 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 201 4XY 0.00000 0.00000 -0.00000 0.00000 0.00000 202 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 203 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 204 18 C 1S 0.00000 0.00000 -0.00004 -0.00003 -0.00001 205 2S -0.00020 -0.00022 0.00067 0.00051 0.00010 206 2PX -0.00028 -0.00027 0.00093 0.00060 0.00046 207 2PY -0.00007 -0.00015 0.00001 0.00040 0.00000 208 2PZ -0.00005 -0.00002 0.00042 0.00013 0.00005 209 3S -0.00054 -0.00077 0.00040 0.00032 0.00004 210 3PX -0.00012 -0.00053 0.00013 0.00009 0.00011 211 3PY -0.00039 -0.00015 0.00015 0.00010 0.00002 212 3PZ -0.00003 -0.00031 0.00011 0.00022 0.00008 213 4XX -0.00002 -0.00004 -0.00002 0.00002 -0.00004 214 4YY 0.00000 0.00001 -0.00000 -0.00002 0.00000 215 4ZZ 0.00001 0.00001 0.00000 0.00000 -0.00000 216 4XY -0.00000 -0.00001 0.00001 -0.00004 0.00000 217 4XZ -0.00002 0.00000 -0.00005 -0.00000 -0.00000 218 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 219 19 H 1S 0.00001 0.00003 0.00001 0.00002 0.00005 220 2S 0.00022 0.00047 -0.00001 0.00002 0.00027 221 20 H 1S 0.00001 -0.00000 0.00005 0.00001 0.00000 222 2S 0.00016 -0.00008 0.00018 0.00005 0.00003 223 21 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 224 2S 0.00002 0.00001 0.00000 -0.00000 -0.00000 225 22 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 226 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 227 23 H 1S -0.00001 0.00009 -0.00000 0.00003 -0.00001 228 2S -0.00021 0.00082 -0.00002 0.00011 -0.00008 229 24 H 1S -0.00007 0.00241 0.00035 0.00068 0.00384 230 2S 0.00019 0.00329 0.00008 0.00014 0.00084 231 25 H 1S 0.00007 -0.00000 0.00001 -0.00000 -0.00000 232 2S 0.00052 0.00009 0.00002 -0.00001 -0.00002 233 26 H 1S -0.00000 0.00003 -0.00001 0.00002 0.00005 234 2S -0.00011 0.00027 -0.00009 0.00005 0.00017 235 27 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 236 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 237 28 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 238 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 239 3S 0.00000 0.00000 0.00000 0.00000 0.00000 240 4S 0.00000 0.00000 0.00000 0.00000 0.00000 241 5S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 242 6S -0.00000 0.00000 -0.00000 0.00000 0.00000 243 7PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 244 7PY -0.00000 -0.00000 0.00000 0.00000 0.00000 245 7PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 246 8PX -0.00000 -0.00000 0.00000 0.00000 0.00000 247 8PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 248 8PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 249 9PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 250 9PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 251 9PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 252 10PX 0.00000 0.00001 -0.00000 -0.00001 -0.00000 253 10PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 254 10PZ -0.00001 0.00001 -0.00000 -0.00000 -0.00000 255 11XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 256 11YY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 257 11ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 258 11XY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 259 11XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 260 11YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 261 12XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 262 12YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 263 12ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 264 12XY -0.00000 0.00000 0.00000 0.00000 0.00000 265 12XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 266 12YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 267 29 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 268 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 269 2PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 270 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 271 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 272 3S -0.00001 0.00001 -0.00000 0.00000 0.00000 273 3PX 0.00001 0.00000 0.00000 0.00000 0.00000 274 3PY -0.00001 0.00001 0.00000 0.00000 0.00000 275 3PZ -0.00001 0.00001 -0.00001 0.00000 -0.00000 276 4XX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 277 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 278 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 279 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 280 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 281 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 282 30 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 283 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 284 31 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 285 2S 0.00000 0.00001 0.00000 0.00000 0.00000 286 32 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 287 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 288 33 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 289 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 290 34 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 291 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 292 35 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 293 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 294 36 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 295 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 296 37 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 297 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 298 38 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 299 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 300 39 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 301 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 302 40 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 303 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 136 137 138 139 140 136 10 C 1S 2.05270 137 2S -0.01162 0.30698 138 2PX 0.00000 0.00000 0.37673 139 2PY 0.00000 0.00000 -0.00000 0.39776 140 2PZ 0.00000 0.00000 0.00000 -0.00000 0.39900 141 3S -0.03851 0.24469 0.00000 0.00000 0.00000 142 3PX 0.00000 0.00000 0.09138 -0.00000 0.00000 143 3PY 0.00000 0.00000 -0.00000 0.10363 -0.00000 144 3PZ 0.00000 0.00000 -0.00000 0.00000 0.09467 145 4XX -0.00116 -0.00404 0.00000 0.00000 0.00000 146 4YY -0.00118 -0.00347 0.00000 0.00000 0.00000 147 4ZZ -0.00125 -0.00225 0.00000 0.00000 0.00000 148 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 149 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 150 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 151 11 C 1S 0.00000 -0.00014 -0.00046 -0.00058 -0.00007 152 2S -0.00014 0.00381 0.00941 0.01201 0.00142 153 2PX -0.00050 0.01096 0.00882 0.02331 0.00301 154 2PY -0.00057 0.01231 0.02186 0.01416 0.00372 155 2PZ -0.00010 0.00204 0.00331 0.00432 -0.00045 156 3S 0.00016 0.00337 0.01101 0.01552 0.00102 157 3PX -0.00050 0.00828 -0.00036 0.01393 0.00165 158 3PY -0.00076 0.01082 0.01254 0.00134 0.00206 159 3PZ -0.00006 0.00149 0.00199 0.00251 -0.00015 160 4XX -0.00001 0.00031 -0.00041 0.00088 0.00014 161 4YY -0.00002 0.00037 0.00065 -0.00059 0.00014 162 4ZZ 0.00000 -0.00023 -0.00022 -0.00033 0.00001 163 4XY -0.00007 0.00126 0.00060 0.00075 0.00053 164 4XZ -0.00001 0.00023 0.00011 0.00051 0.00015 165 4YZ -0.00001 0.00026 0.00051 0.00018 0.00024 166 12 H 1S 0.00000 -0.00012 -0.00004 -0.00029 -0.00016 167 2S 0.00013 -0.00208 -0.00024 -0.00471 -0.00250 168 13 H 1S 0.00000 -0.00013 -0.00019 -0.00031 -0.00002 169 2S 0.00012 -0.00246 -0.00258 -0.00485 -0.00060 170 14 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 171 2S 0.00000 -0.00003 -0.00010 -0.00001 -0.00003 172 2PX 0.00000 -0.00016 -0.00032 -0.00004 -0.00010 173 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00001 174 2PZ 0.00000 -0.00002 -0.00007 -0.00001 0.00001 175 3S 0.00003 -0.00050 -0.00129 -0.00001 -0.00052 176 3PX 0.00014 -0.00210 -0.00284 -0.00035 -0.00090 177 3PY 0.00000 -0.00002 0.00022 0.00023 -0.00003 178 3PZ 0.00001 -0.00017 -0.00076 -0.00015 -0.00003 179 4XX -0.00000 0.00001 0.00004 0.00001 0.00001 180 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 181 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 182 4XY -0.00000 0.00000 0.00001 -0.00000 0.00000 183 4XZ -0.00000 0.00000 0.00002 0.00000 0.00000 184 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 185 15 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 186 2S -0.00000 0.00008 0.00020 0.00006 0.00006 187 16 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00001 188 2S 0.00001 -0.00016 -0.00034 0.00001 -0.00004 189 17 C 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 190 2S 0.00000 -0.00000 -0.00001 0.00000 -0.00000 191 2PX 0.00000 -0.00001 -0.00003 -0.00000 -0.00000 192 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 193 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 194 3S 0.00000 -0.00016 -0.00040 -0.00001 0.00000 195 3PX 0.00001 -0.00040 -0.00093 -0.00001 0.00000 196 3PY -0.00000 0.00001 0.00003 -0.00004 0.00000 197 3PZ 0.00000 -0.00000 -0.00001 0.00000 0.00001 198 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 199 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 200 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 201 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 202 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 203 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 204 18 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 205 2S 0.00000 -0.00003 -0.00007 -0.00006 -0.00000 206 2PX 0.00000 -0.00011 -0.00015 -0.00017 -0.00002 207 2PY 0.00000 -0.00005 -0.00010 -0.00004 -0.00003 208 2PZ 0.00000 -0.00001 0.00000 -0.00002 0.00000 209 3S 0.00003 -0.00043 -0.00106 -0.00147 0.00001 210 3PX 0.00010 -0.00152 -0.00155 -0.00180 -0.00005 211 3PY 0.00003 -0.00044 -0.00100 -0.00002 -0.00040 212 3PZ 0.00001 -0.00008 0.00025 -0.00010 0.00011 213 4XX -0.00000 0.00000 0.00001 0.00001 0.00000 214 4YY -0.00000 0.00000 0.00001 0.00000 0.00000 215 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 216 4XY -0.00000 0.00001 0.00002 0.00002 0.00001 217 4XZ -0.00000 0.00000 0.00001 0.00001 -0.00000 218 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 219 19 H 1S 0.00000 -0.00000 -0.00000 -0.00001 0.00000 220 2S 0.00001 -0.00018 -0.00022 -0.00024 0.00005 221 20 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 222 2S -0.00000 0.00008 0.00011 0.00017 0.00006 223 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 224 2S 0.00000 -0.00000 -0.00002 0.00000 0.00000 225 22 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 226 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 227 23 H 1S -0.00167 0.02587 0.00367 0.02991 0.06484 228 2S -0.00008 0.00328 0.00225 0.01843 0.04081 229 24 H 1S 0.00000 -0.00016 -0.00013 -0.00001 -0.00045 230 2S 0.00016 -0.00280 -0.00156 0.00008 -0.00739 231 25 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 232 2S -0.00000 0.00004 -0.00000 0.00016 0.00003 233 26 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 234 2S -0.00000 0.00005 -0.00000 0.00014 0.00016 235 27 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 236 2S -0.00000 0.00000 -0.00000 0.00000 0.00001 237 28 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 238 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 239 3S 0.00000 0.00000 0.00000 0.00000 0.00000 240 4S -0.00000 0.00000 0.00000 0.00000 0.00000 241 5S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 242 6S -0.00000 0.00003 0.00011 0.00018 0.00004 243 7PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 244 7PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 245 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 8PX -0.00000 0.00000 0.00000 0.00000 0.00000 247 8PY -0.00000 0.00000 0.00000 0.00000 0.00000 248 8PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 249 9PX 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 250 9PY 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 251 9PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 252 10PX 0.00001 -0.00023 -0.00020 -0.00046 -0.00018 253 10PY 0.00001 -0.00029 -0.00041 -0.00010 -0.00000 254 10PZ -0.00000 0.00004 0.00001 0.00012 -0.00007 255 11XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 256 11YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 257 11ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 258 11XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 259 11XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 260 11YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 261 12XX 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 262 12YY 0.00000 -0.00000 -0.00002 -0.00002 -0.00001 263 12ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 264 12XY -0.00000 0.00000 0.00001 0.00002 0.00001 265 12XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 266 12YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 267 29 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 268 2S 0.00000 -0.00002 -0.00002 -0.00004 -0.00004 269 2PX 0.00000 -0.00002 -0.00002 -0.00002 -0.00002 270 2PY 0.00000 -0.00003 -0.00003 -0.00002 -0.00007 271 2PZ 0.00000 -0.00006 -0.00005 -0.00010 -0.00007 272 3S 0.00004 -0.00068 -0.00021 -0.00109 -0.00160 273 3PX 0.00003 -0.00029 -0.00006 -0.00003 0.00009 274 3PY 0.00003 -0.00049 -0.00027 -0.00018 -0.00120 275 3PZ 0.00005 -0.00093 -0.00034 -0.00156 -0.00103 276 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 277 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 278 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 279 4XY -0.00000 0.00000 0.00001 0.00001 0.00001 280 4XZ -0.00000 0.00000 0.00001 0.00001 0.00001 281 4YZ -0.00000 0.00000 0.00001 0.00000 0.00001 282 30 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 283 2S -0.00000 0.00006 0.00012 0.00009 0.00009 284 31 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 285 2S 0.00000 -0.00005 -0.00008 -0.00006 -0.00015 286 32 H 1S 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 287 2S 0.00001 -0.00021 -0.00012 -0.00039 -0.00029 288 33 H 1S 0.00000 -0.00000 -0.00002 -0.00000 -0.00000 289 2S 0.00001 -0.00023 -0.00047 -0.00013 0.00017 290 34 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 291 2S 0.00000 -0.00003 -0.00009 -0.00017 0.00001 292 35 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 293 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 294 36 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 295 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 296 37 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 297 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 298 38 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 299 2S -0.00000 0.00000 0.00000 0.00000 0.00000 300 39 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 301 2S -0.00000 0.00000 0.00000 0.00000 0.00000 302 40 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 303 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 141 142 143 144 145 141 3S 0.35294 142 3PX 0.00000 0.07767 143 3PY 0.00000 -0.00000 0.09448 144 3PZ 0.00000 -0.00000 0.00000 0.07879 145 4XX -0.00375 0.00000 0.00000 0.00000 0.00134 146 4YY -0.00249 0.00000 0.00000 0.00000 -0.00007 147 4ZZ -0.00070 0.00000 0.00000 0.00000 -0.00017 148 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 149 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 150 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 151 11 C 1S 0.00016 -0.00050 -0.00079 0.00001 -0.00001 152 2S 0.00148 0.00726 0.01121 0.00094 0.00032 153 2PX 0.01148 -0.00028 0.01443 0.00209 -0.00060 154 2PY 0.01308 0.01587 0.00142 0.00292 0.00076 155 2PZ 0.00289 0.00110 0.00184 0.00211 0.00004 156 3S -0.00544 0.00668 0.01154 -0.00039 0.00082 157 3PX 0.00552 -0.00328 0.00962 0.00128 -0.00077 158 3PY 0.00932 0.01129 -0.00526 0.00196 0.00084 159 3PZ 0.00179 0.00083 0.00111 0.00320 0.00005 160 4XX 0.00088 -0.00033 0.00095 0.00023 0.00002 161 4YY 0.00059 0.00040 -0.00071 0.00007 -0.00007 162 4ZZ -0.00083 -0.00046 -0.00055 -0.00020 -0.00001 163 4XY 0.00081 0.00000 0.00005 0.00010 -0.00003 164 4XZ 0.00013 0.00000 0.00016 0.00012 0.00002 165 4YZ 0.00012 0.00012 0.00001 0.00008 -0.00003 166 12 H 1S -0.00222 -0.00072 -0.00220 -0.00035 -0.00001 167 2S -0.00775 -0.00106 -0.00850 -0.00237 -0.00025 168 13 H 1S -0.00147 -0.00261 -0.00362 0.00051 0.00000 169 2S -0.00548 -0.00648 -0.01105 0.00029 -0.00011 170 14 C 1S 0.00003 0.00005 -0.00000 0.00002 -0.00000 171 2S -0.00043 -0.00010 -0.00007 -0.00034 0.00001 172 2PX -0.00329 0.00004 -0.00045 -0.00087 0.00007 173 2PY -0.00040 -0.00012 0.00063 -0.00019 -0.00000 174 2PZ -0.00016 -0.00081 -0.00023 -0.00004 0.00001 175 3S -0.00092 -0.00067 -0.00023 -0.00133 0.00014 176 3PX -0.00901 -0.00118 -0.00081 -0.00169 0.00048 177 3PY -0.00078 0.00011 0.00213 -0.00031 -0.00003 178 3PZ -0.00020 -0.00167 -0.00047 -0.00068 0.00006 179 4XX 0.00012 0.00028 0.00007 0.00011 0.00000 180 4YY 0.00002 -0.00010 -0.00001 0.00001 -0.00000 181 4ZZ -0.00007 -0.00006 -0.00001 -0.00004 -0.00000 182 4XY 0.00004 0.00005 -0.00007 0.00002 -0.00000 183 4XZ 0.00005 0.00008 0.00002 -0.00000 0.00000 184 4YZ 0.00001 0.00001 -0.00001 -0.00000 -0.00000 185 15 H 1S 0.00010 0.00007 0.00008 0.00004 -0.00000 186 2S 0.00134 0.00101 0.00075 0.00051 -0.00001 187 16 H 1S -0.00038 0.00006 0.00001 -0.00074 -0.00000 188 2S -0.00237 -0.00065 0.00007 -0.00220 -0.00002 189 17 C 1S 0.00000 0.00001 -0.00000 0.00000 0.00000 190 2S -0.00017 -0.00064 0.00002 -0.00000 -0.00000 191 2PX -0.00038 -0.00071 0.00010 -0.00001 -0.00000 192 2PY -0.00006 -0.00014 -0.00009 0.00000 -0.00000 193 2PZ 0.00000 0.00000 0.00000 0.00001 -0.00000 194 3S -0.00157 -0.00256 0.00006 0.00000 -0.00000 195 3PX -0.00188 -0.00256 0.00020 -0.00002 -0.00002 196 3PY -0.00017 -0.00021 -0.00032 0.00000 -0.00001 197 3PZ 0.00000 -0.00001 0.00001 0.00014 -0.00000 198 4XX -0.00002 0.00006 -0.00000 -0.00000 0.00000 199 4YY 0.00002 0.00001 -0.00000 -0.00000 -0.00000 200 4ZZ 0.00000 -0.00001 0.00000 0.00000 -0.00000 201 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 202 4XZ -0.00000 -0.00000 0.00000 -0.00001 -0.00000 203 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 204 18 C 1S 0.00002 0.00004 0.00006 -0.00000 -0.00000 205 2S -0.00030 -0.00006 -0.00079 -0.00002 0.00001 206 2PX -0.00211 0.00004 -0.00104 -0.00016 0.00003 207 2PY -0.00065 -0.00055 -0.00016 -0.00049 0.00001 208 2PZ -0.00045 0.00028 -0.00063 0.00028 -0.00000 209 3S -0.00017 -0.00078 -0.00382 -0.00013 0.00011 210 3PX -0.00652 -0.00075 -0.00218 -0.00003 0.00028 211 3PY -0.00104 -0.00139 -0.00002 -0.00100 0.00007 212 3PZ -0.00093 0.00075 -0.00098 0.00105 -0.00001 213 4XX 0.00002 0.00005 0.00009 0.00002 0.00000 214 4YY 0.00001 0.00001 0.00003 0.00002 -0.00000 215 4ZZ -0.00001 -0.00005 -0.00003 -0.00001 -0.00000 216 4XY 0.00007 0.00006 0.00008 0.00003 0.00000 217 4XZ 0.00002 0.00002 0.00003 -0.00003 -0.00000 218 4YZ 0.00003 0.00000 0.00003 -0.00002 -0.00000 219 19 H 1S -0.00040 0.00015 -0.00094 0.00001 0.00000 220 2S -0.00271 -0.00007 -0.00317 0.00012 -0.00001 221 20 H 1S 0.00008 0.00000 0.00012 0.00006 -0.00000 222 2S 0.00113 0.00031 0.00157 0.00059 -0.00001 223 21 H 1S -0.00004 -0.00006 0.00000 0.00002 -0.00000 224 2S -0.00063 -0.00046 0.00001 0.00014 -0.00000 225 22 H 1S 0.00000 0.00001 -0.00000 -0.00000 0.00000 226 2S 0.00007 0.00016 -0.00002 -0.00001 0.00000 227 23 H 1S 0.04518 0.00308 0.01992 0.03554 -0.00107 228 2S 0.01513 0.00275 0.01777 0.03324 -0.00240 229 24 H 1S -0.00234 -0.00127 -0.00062 -0.00364 -0.00000 230 2S -0.00862 -0.00331 -0.00089 -0.01296 -0.00007 231 25 H 1S -0.00001 -0.00000 -0.00006 0.00001 0.00000 232 2S -0.00011 -0.00000 0.00001 0.00004 -0.00000 233 26 H 1S 0.00006 -0.00001 0.00007 0.00009 0.00000 234 2S 0.00067 -0.00006 0.00096 0.00115 0.00000 235 27 H 1S -0.00000 -0.00000 -0.00000 0.00001 0.00000 236 2S -0.00005 -0.00001 0.00010 0.00015 0.00000 237 28 Br 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 238 2S -0.00000 0.00000 0.00000 -0.00001 0.00000 239 3S 0.00000 -0.00001 -0.00001 0.00001 -0.00000 240 4S 0.00001 -0.00002 -0.00002 0.00004 -0.00000 241 5S -0.00008 -0.00018 -0.00025 -0.00005 0.00000 242 6S -0.00001 0.00024 0.00041 0.00028 -0.00001 243 7PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 244 7PY 0.00000 0.00000 -0.00000 0.00000 0.00000 245 7PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 246 8PX 0.00001 0.00001 0.00000 0.00001 -0.00000 247 8PY 0.00000 -0.00001 0.00001 0.00000 -0.00000 248 8PZ -0.00000 0.00000 0.00000 0.00000 0.00000 249 9PX -0.00026 -0.00006 0.00005 -0.00036 0.00000 250 9PY -0.00016 0.00017 -0.00016 -0.00012 -0.00000 251 9PZ 0.00010 -0.00005 0.00003 -0.00006 -0.00000 252 10PX -0.00155 -0.00020 0.00028 -0.00150 0.00001 253 10PY -0.00093 0.00073 -0.00049 -0.00037 -0.00002 254 10PZ 0.00067 -0.00016 0.00020 -0.00057 -0.00001 255 11XX -0.00001 0.00001 0.00001 -0.00002 0.00000 256 11YY -0.00000 0.00001 0.00001 -0.00002 0.00000 257 11ZZ -0.00001 0.00001 0.00001 -0.00001 0.00000 258 11XY 0.00000 -0.00001 -0.00001 0.00000 0.00000 259 11XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 260 11YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 261 12XX -0.00006 0.00003 0.00006 -0.00014 0.00000 262 12YY -0.00009 -0.00003 -0.00006 -0.00017 0.00000 263 12ZZ -0.00002 -0.00007 -0.00007 -0.00001 0.00000 264 12XY 0.00003 0.00009 0.00018 0.00003 -0.00000 265 12XZ -0.00002 -0.00000 -0.00002 0.00001 0.00000 266 12YZ 0.00000 -0.00002 -0.00001 0.00001 0.00000 267 29 C 1S 0.00005 0.00004 0.00004 0.00007 0.00000 268 2S -0.00065 -0.00055 -0.00043 -0.00079 -0.00000 269 2PX -0.00127 -0.00026 -0.00057 -0.00047 -0.00000 270 2PY -0.00091 -0.00101 0.00014 -0.00137 -0.00000 271 2PZ -0.00060 -0.00094 -0.00077 -0.00008 -0.00001 272 3S -0.00246 -0.00108 -0.00214 -0.00406 -0.00008 273 3PX -0.00318 0.00017 -0.00051 -0.00036 0.00000 274 3PY -0.00212 -0.00133 0.00010 -0.00283 -0.00010 275 3PZ -0.00168 -0.00123 -0.00210 -0.00069 -0.00018 276 4XX 0.00008 0.00004 0.00002 0.00007 0.00000 277 4YY -0.00002 0.00000 -0.00001 -0.00000 0.00000 278 4ZZ -0.00005 -0.00004 0.00002 -0.00004 0.00000 279 4XY 0.00006 0.00002 0.00003 0.00005 0.00000 280 4XZ 0.00006 0.00003 0.00005 0.00005 0.00000 281 4YZ 0.00003 0.00003 0.00002 0.00003 0.00000 282 30 H 1S 0.00007 0.00012 0.00004 0.00005 0.00000 283 2S 0.00104 0.00130 0.00067 0.00079 0.00001 284 31 H 1S -0.00025 -0.00012 0.00002 -0.00055 0.00000 285 2S -0.00145 -0.00048 -0.00004 -0.00204 0.00000 286 32 H 1S -0.00036 -0.00009 -0.00076 0.00000 -0.00000 287 2S -0.00157 -0.00028 -0.00265 -0.00006 -0.00001 288 33 H 1S -0.00063 -0.00063 0.00028 0.00008 -0.00000 289 2S -0.00252 -0.00170 0.00072 0.00077 -0.00006 290 34 H 1S -0.00022 -0.00006 -0.00067 0.00006 0.00000 291 2S -0.00096 0.00005 -0.00257 0.00015 -0.00000 292 35 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 293 2S -0.00003 -0.00003 0.00006 -0.00000 0.00000 294 36 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 295 2S -0.00002 -0.00005 -0.00002 0.00001 -0.00000 296 37 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 297 2S -0.00002 -0.00004 -0.00000 0.00000 -0.00000 298 38 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 299 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 300 39 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 301 2S -0.00000 0.00000 -0.00000 0.00002 0.00000 302 40 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 303 2S -0.00002 -0.00005 0.00000 -0.00001 0.00000 146 147 148 149 150 146 4YY 0.00076 147 4ZZ 0.00004 0.00107 148 4XY -0.00000 -0.00000 0.00102 149 4XZ 0.00000 0.00000 0.00000 0.00082 150 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00162 151 11 C 1S -0.00002 0.00000 -0.00006 -0.00001 -0.00001 152 2S 0.00038 -0.00022 0.00115 0.00023 0.00025 153 2PX 0.00097 -0.00014 0.00048 0.00003 0.00047 154 2PY -0.00061 -0.00030 0.00067 0.00048 0.00011 155 2PZ 0.00017 0.00001 0.00047 0.00015 0.00027 156 3S 0.00078 -0.00096 0.00067 0.00015 0.00018 157 3PX 0.00109 -0.00024 0.00000 0.00000 0.00014 158 3PY -0.00067 -0.00049 0.00004 0.00012 0.00001 159 3PZ 0.00020 -0.00021 0.00011 0.00015 0.00022 160 4XX -0.00007 -0.00001 -0.00002 0.00001 -0.00002 161 4YY 0.00001 0.00002 0.00001 -0.00003 -0.00000 162 4ZZ 0.00002 0.00000 -0.00002 0.00000 -0.00000 163 4XY 0.00001 -0.00002 0.00007 -0.00001 -0.00004 164 4XZ -0.00004 0.00000 -0.00001 -0.00001 -0.00001 165 4YZ 0.00000 -0.00000 -0.00002 -0.00001 -0.00003 166 12 H 1S 0.00003 0.00001 -0.00000 0.00000 0.00006 167 2S 0.00026 0.00026 -0.00006 -0.00001 0.00025 168 13 H 1S 0.00003 -0.00000 0.00004 0.00001 0.00002 169 2S 0.00026 0.00005 0.00010 0.00005 0.00011 170 14 C 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 171 2S -0.00000 -0.00000 -0.00000 0.00001 0.00000 172 2PX -0.00001 -0.00000 -0.00000 0.00003 0.00000 173 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 174 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 175 3S -0.00005 -0.00002 -0.00001 0.00005 0.00000 176 3PX -0.00018 -0.00001 -0.00002 0.00012 0.00000 177 3PY 0.00001 0.00000 -0.00000 -0.00001 -0.00000 178 3PZ -0.00004 0.00001 0.00001 -0.00000 0.00000 179 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 180 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 181 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 182 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 183 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 184 4YZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 185 15 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 186 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 187 16 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 188 2S 0.00002 0.00001 0.00000 -0.00002 0.00000 189 17 C 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 190 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 191 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 192 2PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 193 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 194 3S 0.00001 0.00000 0.00000 -0.00000 0.00000 195 3PX 0.00000 0.00001 -0.00000 -0.00000 -0.00000 196 3PY 0.00000 0.00000 -0.00001 0.00000 -0.00000 197 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 198 4XX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 199 4YY -0.00000 0.00000 0.00000 -0.00000 0.00000 200 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 201 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 202 4XZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 203 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 204 18 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 205 2S 0.00000 -0.00000 0.00001 -0.00000 -0.00000 206 2PX 0.00001 -0.00001 0.00004 0.00000 -0.00000 207 2PY 0.00000 -0.00000 0.00002 0.00000 -0.00000 208 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 209 3S 0.00003 -0.00008 0.00006 -0.00001 0.00000 210 3PX 0.00007 -0.00017 0.00014 -0.00001 -0.00001 211 3PY 0.00003 -0.00005 0.00005 0.00001 -0.00001 212 3PZ -0.00000 0.00001 -0.00001 0.00000 0.00000 213 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 214 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 215 4ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 216 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 217 4XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 218 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 219 19 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 220 2S -0.00002 0.00003 -0.00002 0.00000 0.00001 221 20 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 222 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 223 21 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 224 2S 0.00000 0.00000 0.00000 0.00000 0.00000 225 22 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 226 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 227 23 H 1S -0.00017 0.00280 0.00025 0.00052 0.00381 228 2S 0.00012 0.00346 0.00006 0.00012 0.00084 229 24 H 1S -0.00001 0.00009 -0.00000 0.00004 -0.00001 230 2S -0.00025 0.00084 -0.00001 0.00014 -0.00007 231 25 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 232 2S -0.00002 0.00001 0.00000 -0.00000 -0.00000 233 26 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 234 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 235 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 236 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 237 28 Br 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 238 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 239 3S -0.00000 0.00000 0.00000 0.00000 0.00000 240 4S -0.00000 0.00000 0.00000 0.00000 0.00000 241 5S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 242 6S -0.00000 0.00000 0.00000 0.00000 0.00000 243 7PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 244 7PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 245 7PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 246 8PX -0.00000 0.00000 -0.00000 0.00000 0.00000 247 8PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 248 8PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 249 9PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 250 9PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 251 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 252 10PX 0.00003 -0.00003 0.00001 -0.00000 -0.00001 253 10PY 0.00002 0.00000 0.00002 -0.00000 0.00000 254 10PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 255 11XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 256 11YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 257 11ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 258 11XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 259 11XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 260 11YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 261 12XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 262 12YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 263 12ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 264 12XY -0.00000 0.00000 0.00000 0.00000 0.00000 265 12XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 266 12YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 267 29 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 268 2S 0.00000 0.00000 0.00000 0.00000 0.00000 269 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 270 2PY 0.00000 0.00001 0.00000 0.00001 0.00001 271 2PZ 0.00000 0.00001 0.00001 0.00001 0.00002 272 3S 0.00003 0.00012 0.00000 -0.00000 0.00009 273 3PX -0.00001 0.00003 -0.00000 0.00000 0.00001 274 3PY 0.00006 0.00011 0.00000 -0.00000 0.00006 275 3PZ 0.00004 0.00019 0.00001 0.00000 0.00010 276 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 277 4YY -0.00000 0.00000 -0.00000 0.00000 0.00000 278 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 279 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 280 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 281 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 282 30 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 283 2S -0.00000 -0.00001 0.00000 0.00000 -0.00000 284 31 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 285 2S 0.00001 0.00000 -0.00000 -0.00001 -0.00001 286 32 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 287 2S 0.00002 0.00001 -0.00001 -0.00000 0.00000 288 33 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 289 2S 0.00000 0.00005 -0.00001 0.00000 -0.00001 290 34 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 291 2S 0.00000 0.00001 -0.00002 -0.00000 0.00000 292 35 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 293 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 294 36 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 295 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 296 37 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 297 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 298 38 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 299 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 300 39 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 301 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 302 40 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 303 2S -0.00000 0.00000 0.00000 0.00000 0.00000 151 152 153 154 155 151 11 C 1S 2.05161 152 2S -0.01161 0.30418 153 2PX 0.00000 0.00000 0.38904 154 2PY 0.00000 0.00000 0.00000 0.38895 155 2PZ 0.00000 0.00000 0.00000 -0.00000 0.40486 156 3S -0.03522 0.23205 0.00000 0.00000 0.00000 157 3PX 0.00000 0.00000 0.10253 0.00000 0.00000 158 3PY 0.00000 0.00000 0.00000 0.09868 0.00000 159 3PZ 0.00000 0.00000 0.00000 -0.00000 0.10519 160 4XX -0.00120 -0.00402 0.00000 0.00000 0.00000 161 4YY -0.00132 -0.00206 0.00000 0.00000 0.00000 162 4ZZ -0.00138 -0.00046 0.00000 0.00000 0.00000 163 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 164 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 165 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 12 H 1S -0.00172 0.02780 0.01612 0.03333 0.04906 167 2S -0.00054 0.00964 0.00979 0.02003 0.03011 168 13 H 1S -0.00166 0.02664 0.00563 0.03212 0.05947 169 2S -0.00034 0.00763 0.00360 0.01985 0.03777 170 14 C 1S 0.00000 -0.00014 -0.00080 -0.00022 -0.00014 171 2S -0.00014 0.00374 0.01631 0.00452 0.00299 172 2PX -0.00085 0.01779 0.03461 0.01305 0.00926 173 2PY -0.00019 0.00417 0.01226 -0.00048 0.00229 174 2PZ -0.00017 0.00348 0.00956 0.00246 -0.00083 175 3S 0.00027 0.00169 0.01797 0.00595 0.00307 176 3PX -0.00106 0.01498 0.01013 0.00649 0.00620 177 3PY -0.00022 0.00337 0.00668 -0.00255 0.00157 178 3PZ -0.00027 0.00317 0.00549 0.00137 -0.00243 179 4XX -0.00005 0.00127 -0.00001 0.00091 0.00077 180 4YY 0.00000 -0.00017 -0.00030 -0.00007 -0.00005 181 4ZZ 0.00000 -0.00024 -0.00039 -0.00017 -0.00002 182 4XY -0.00004 0.00076 0.00093 0.00000 0.00043 183 4XZ -0.00003 0.00052 0.00074 0.00042 0.00009 184 4YZ -0.00001 0.00012 0.00047 0.00000 0.00005 185 15 H 1S 0.00000 -0.00014 -0.00040 -0.00000 -0.00007 186 2S 0.00014 -0.00217 -0.00557 -0.00005 -0.00093 187 16 H 1S 0.00000 -0.00014 -0.00012 -0.00015 -0.00026 188 2S 0.00013 -0.00239 -0.00137 -0.00258 -0.00388 189 17 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 190 2S 0.00000 -0.00003 -0.00011 -0.00005 -0.00001 191 2PX 0.00000 -0.00009 -0.00020 -0.00014 0.00001 192 2PY 0.00000 -0.00008 -0.00022 -0.00005 -0.00001 193 2PZ -0.00000 -0.00000 -0.00001 -0.00003 0.00000 194 3S 0.00003 -0.00033 -0.00134 -0.00089 -0.00033 195 3PX 0.00007 -0.00094 -0.00089 -0.00149 0.00017 196 3PY 0.00006 -0.00103 -0.00210 -0.00044 -0.00029 197 3PZ -0.00000 -0.00004 -0.00025 -0.00044 0.00011 198 4XX -0.00000 0.00001 0.00003 0.00002 -0.00000 199 4YY -0.00000 0.00000 0.00001 0.00000 -0.00000 200 4ZZ 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 201 4XY -0.00000 0.00001 0.00005 0.00002 -0.00000 202 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 203 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 204 18 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 205 2S 0.00000 -0.00000 -0.00000 -0.00001 0.00000 206 2PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 207 2PY 0.00000 -0.00001 -0.00001 -0.00003 0.00000 208 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 209 3S 0.00000 -0.00019 -0.00018 -0.00020 -0.00006 210 3PX -0.00000 -0.00001 -0.00001 -0.00001 -0.00004 211 3PY 0.00002 -0.00055 -0.00023 -0.00088 -0.00004 212 3PZ 0.00000 -0.00000 -0.00001 0.00018 0.00000 213 4XX -0.00000 0.00000 0.00000 -0.00000 0.00000 214 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 215 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 216 4XY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 217 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 218 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 219 19 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 220 2S 0.00000 -0.00000 0.00000 -0.00002 0.00000 221 20 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 222 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 223 21 H 1S 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 224 2S 0.00001 -0.00016 -0.00031 -0.00010 0.00018 225 22 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 226 2S -0.00000 0.00008 0.00026 0.00009 -0.00000 227 23 H 1S 0.00000 -0.00016 -0.00017 -0.00031 -0.00003 228 2S 0.00016 -0.00269 -0.00236 -0.00489 -0.00074 229 24 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 230 2S 0.00001 -0.00026 -0.00002 -0.00037 -0.00000 231 25 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 232 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 233 26 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 234 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 235 27 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 236 2S -0.00000 0.00000 0.00000 0.00000 0.00000 237 28 Br 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 238 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 239 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 240 4S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 241 5S -0.00000 0.00000 0.00000 0.00000 0.00000 242 6S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 243 7PX 0.00000 0.00000 0.00000 0.00000 -0.00000 244 7PY 0.00000 0.00000 0.00000 0.00000 -0.00000 245 7PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 246 8PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 247 8PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 248 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 249 9PX -0.00000 0.00000 0.00000 0.00000 -0.00000 250 9PY -0.00000 0.00000 0.00000 0.00000 -0.00000 251 9PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 252 10PX -0.00000 0.00000 0.00000 0.00000 -0.00000 253 10PY -0.00000 0.00000 0.00000 0.00000 -0.00000 254 10PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 255 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 11YY 0.00000 0.00000 0.00000 0.00000 -0.00000 257 11ZZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 258 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 11XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 260 11YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 261 12XX -0.00000 0.00000 0.00000 0.00000 -0.00000 262 12YY -0.00000 0.00000 0.00000 0.00000 0.00000 263 12ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 264 12XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 265 12XZ -0.00000 0.00000 0.00000 0.00000 0.00000 266 12YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 267 29 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 268 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 269 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 270 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 271 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 272 3S 0.00000 -0.00009 -0.00026 -0.00001 -0.00018 273 3PX 0.00001 -0.00011 -0.00005 -0.00004 -0.00026 274 3PY -0.00000 0.00002 0.00000 -0.00010 0.00011 275 3PZ 0.00001 -0.00014 -0.00036 0.00003 -0.00010 276 4XX -0.00000 0.00000 0.00000 -0.00000 0.00000 277 4YY 0.00000 -0.00000 0.00000 0.00000 -0.00000 278 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 279 4XY -0.00000 0.00000 -0.00000 -0.00000 0.00000 280 4XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 281 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 282 30 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 283 2S -0.00000 0.00000 -0.00000 0.00000 0.00001 284 31 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 285 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 286 32 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00001 287 2S -0.00001 0.00003 0.00030 0.00014 0.00042 288 33 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 289 2S -0.00000 0.00000 -0.00001 -0.00000 -0.00000 290 34 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 291 2S -0.00000 -0.00003 0.00029 0.00005 -0.00003 292 35 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 293 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 294 36 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 295 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 296 37 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 297 2S 0.00000 0.00000 0.00000 0.00000 0.00000 298 38 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 299 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 300 39 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 301 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 302 40 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 303 2S -0.00000 0.00000 0.00000 0.00000 0.00000 156 157 158 159 160 156 3S 0.29955 157 3PX 0.00000 0.08986 158 3PY 0.00000 0.00000 0.08027 159 3PZ 0.00000 -0.00000 -0.00000 0.08637 160 4XX -0.00326 0.00000 0.00000 0.00000 0.00105 161 4YY -0.00097 0.00000 0.00000 0.00000 -0.00004 162 4ZZ 0.00042 0.00000 0.00000 0.00000 -0.00013 163 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 164 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 165 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 166 12 H 1S 0.03607 0.01173 0.02191 0.02954 -0.00072 167 2S 0.01096 0.01112 0.02039 0.02788 -0.00102 168 13 H 1S 0.03856 0.00278 0.01940 0.03957 -0.00106 169 2S 0.01196 0.00265 0.01814 0.03848 -0.00226 170 14 C 1S 0.00040 -0.00097 -0.00030 -0.00018 -0.00005 171 2S 0.00020 0.01386 0.00387 0.00256 0.00121 172 2PX 0.02077 0.01047 0.00834 0.00611 -0.00050 173 2PY 0.00303 0.01033 -0.00214 0.00167 0.00102 174 2PZ 0.00568 0.00613 0.00143 -0.00211 0.00063 175 3S -0.01082 0.01320 0.00519 0.00217 0.00190 176 3PX 0.01602 0.00000 0.00534 0.00510 -0.00034 177 3PY 0.00132 0.00729 -0.00318 0.00142 0.00083 178 3PZ 0.00542 0.00437 0.00103 -0.00338 0.00045 179 4XX 0.00199 0.00032 0.00064 0.00065 0.00003 180 4YY -0.00045 -0.00030 -0.00041 -0.00010 -0.00000 181 4ZZ -0.00072 -0.00095 -0.00016 -0.00031 -0.00005 182 4XY 0.00054 0.00012 0.00009 0.00011 -0.00006 183 4XZ 0.00026 0.00012 0.00009 0.00015 0.00003 184 4YZ 0.00006 0.00009 0.00001 0.00007 -0.00005 185 15 H 1S -0.00304 -0.00155 0.00008 -0.00055 0.00008 186 2S -0.00896 -0.00712 0.00007 -0.00177 0.00049 187 16 H 1S -0.00250 -0.00205 -0.00081 -0.00188 -0.00002 188 2S -0.00802 -0.00468 -0.00361 -0.00701 -0.00043 189 17 C 1S 0.00002 0.00009 0.00004 0.00001 -0.00000 190 2S -0.00020 -0.00144 -0.00041 -0.00007 0.00000 191 2PX -0.00174 -0.00224 -0.00153 0.00045 0.00001 192 2PY -0.00097 -0.00264 0.00011 -0.00004 0.00001 193 2PZ 0.00024 0.00001 -0.00035 -0.00001 0.00000 194 3S 0.00061 -0.00399 -0.00162 -0.00077 0.00002 195 3PX -0.00395 -0.00260 -0.00309 0.00082 0.00005 196 3PY -0.00299 -0.00491 -0.00015 -0.00039 0.00008 197 3PZ 0.00057 -0.00021 -0.00096 0.00023 0.00001 198 4XX 0.00015 0.00030 0.00011 -0.00002 -0.00000 199 4YY -0.00001 0.00008 0.00002 -0.00000 0.00000 200 4ZZ -0.00008 -0.00020 -0.00004 0.00001 -0.00000 201 4XY 0.00013 0.00019 0.00006 -0.00001 0.00000 202 4XZ -0.00001 -0.00002 0.00001 0.00001 0.00000 203 4YZ -0.00001 -0.00002 -0.00001 -0.00001 0.00000 204 18 C 1S 0.00000 0.00000 0.00001 -0.00000 -0.00000 205 2S -0.00019 -0.00005 -0.00053 0.00001 0.00000 206 2PX 0.00004 -0.00001 -0.00004 -0.00005 0.00000 207 2PY -0.00030 -0.00002 -0.00086 0.00025 -0.00000 208 2PZ -0.00020 -0.00002 -0.00015 0.00000 0.00000 209 3S -0.00150 -0.00069 -0.00164 -0.00013 0.00002 210 3PX 0.00018 -0.00004 0.00011 -0.00013 0.00000 211 3PY -0.00206 -0.00037 -0.00257 0.00044 -0.00000 212 3PZ -0.00064 0.00004 -0.00001 0.00003 0.00000 213 4XX 0.00002 0.00001 0.00000 -0.00000 -0.00000 214 4YY -0.00003 -0.00002 0.00000 -0.00000 -0.00000 215 4ZZ 0.00000 -0.00000 0.00001 -0.00000 0.00000 216 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 217 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 218 4YZ 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 219 19 H 1S -0.00005 -0.00000 0.00000 -0.00000 0.00000 220 2S -0.00069 -0.00003 0.00007 -0.00001 -0.00000 221 20 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 222 2S 0.00008 -0.00003 0.00004 -0.00004 -0.00000 223 21 H 1S -0.00026 -0.00055 0.00018 -0.00010 -0.00000 224 2S -0.00195 -0.00204 0.00039 0.00024 -0.00004 225 22 H 1S 0.00008 0.00020 0.00003 -0.00000 -0.00000 226 2S 0.00113 0.00234 0.00048 -0.00001 -0.00000 227 23 H 1S -0.00277 -0.00157 -0.00252 0.00003 0.00000 228 2S -0.01008 -0.00412 -0.00855 -0.00094 -0.00015 229 24 H 1S -0.00048 -0.00002 0.00004 -0.00070 0.00000 230 2S -0.00315 -0.00008 -0.00041 -0.00108 -0.00000 231 25 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 232 2S -0.00004 -0.00001 -0.00002 -0.00002 -0.00000 233 26 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 234 2S -0.00002 -0.00001 -0.00005 -0.00001 -0.00000 235 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 236 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 237 28 Br 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 238 2S 0.00000 0.00000 0.00000 0.00000 0.00000 239 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 240 4S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 241 5S 0.00000 0.00000 0.00000 -0.00000 -0.00000 242 6S -0.00002 -0.00003 -0.00003 -0.00000 -0.00000 243 7PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 244 7PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 245 7PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 246 8PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 247 8PY -0.00000 0.00000 -0.00000 0.00000 0.00000 248 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 249 9PX 0.00000 0.00000 0.00000 -0.00000 0.00000 250 9PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 251 9PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 252 10PX 0.00012 0.00008 0.00010 -0.00000 0.00000 253 10PY 0.00006 0.00002 0.00004 -0.00000 -0.00000 254 10PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 255 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 11XY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 259 11XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 260 11YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 261 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 262 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 263 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 264 12XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 265 12XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 266 12YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 267 29 C 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 268 2S -0.00010 0.00001 0.00000 -0.00015 0.00000 269 2PX -0.00020 0.00024 -0.00004 -0.00026 0.00000 270 2PY -0.00001 -0.00005 -0.00006 0.00002 -0.00000 271 2PZ -0.00024 0.00002 0.00003 -0.00021 -0.00000 272 3S -0.00094 -0.00104 -0.00002 -0.00087 0.00000 273 3PX -0.00095 0.00046 -0.00016 -0.00087 0.00001 274 3PY -0.00002 -0.00013 -0.00055 0.00030 -0.00000 275 3PZ -0.00135 -0.00060 0.00014 -0.00050 -0.00001 276 4XX 0.00001 0.00001 -0.00000 0.00001 -0.00000 277 4YY 0.00000 0.00000 -0.00000 -0.00001 0.00000 278 4ZZ -0.00001 -0.00002 0.00000 0.00000 0.00000 279 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 280 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 281 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 282 30 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 283 2S 0.00009 -0.00009 0.00001 0.00009 0.00000 284 31 H 1S 0.00000 -0.00001 -0.00000 0.00001 -0.00000 285 2S 0.00000 -0.00007 -0.00000 0.00009 -0.00000 286 32 H 1S -0.00017 0.00046 -0.00020 -0.00025 -0.00000 287 2S 0.00015 0.00206 -0.00004 0.00120 -0.00003 288 33 H 1S -0.00004 -0.00008 0.00001 -0.00001 -0.00000 289 2S -0.00039 -0.00042 0.00001 0.00002 -0.00001 290 34 H 1S -0.00011 0.00018 -0.00022 -0.00010 0.00000 291 2S 0.00010 0.00225 -0.00032 -0.00030 0.00000 292 35 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 293 2S -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 294 36 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 295 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 296 37 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 297 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 298 38 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 299 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 300 39 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 301 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 302 40 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 303 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 161 162 163 164 165 161 4YY 0.00048 162 4ZZ 0.00008 0.00081 163 4XY -0.00000 0.00000 0.00114 164 4XZ 0.00000 0.00000 0.00000 0.00091 165 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00176 166 12 H 1S 0.00023 0.00093 0.00107 0.00146 0.00292 167 2S 0.00065 0.00097 0.00023 0.00028 0.00064 168 13 H 1S 0.00015 0.00236 0.00030 0.00055 0.00369 169 2S 0.00054 0.00264 0.00007 0.00010 0.00087 170 14 C 1S 0.00000 0.00000 -0.00004 -0.00003 -0.00001 171 2S -0.00017 -0.00020 0.00068 0.00050 0.00011 172 2PX -0.00028 -0.00019 0.00102 0.00052 0.00044 173 2PY -0.00006 -0.00013 0.00001 0.00040 0.00000 174 2PZ -0.00004 -0.00002 0.00044 0.00012 0.00005 175 3S -0.00044 -0.00064 0.00036 0.00031 0.00006 176 3PX -0.00036 -0.00017 0.00015 0.00007 0.00010 177 3PY -0.00034 -0.00020 0.00014 0.00010 0.00004 178 3PZ -0.00003 -0.00033 0.00010 0.00021 0.00007 179 4XX -0.00002 -0.00004 -0.00002 0.00001 -0.00005 180 4YY 0.00000 0.00001 -0.00000 -0.00002 -0.00000 181 4ZZ 0.00001 0.00001 -0.00001 0.00000 -0.00000 182 4XY 0.00000 0.00000 0.00001 -0.00006 -0.00000 183 4XZ -0.00002 0.00000 -0.00004 -0.00000 -0.00000 184 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 185 15 H 1S -0.00000 -0.00000 0.00001 0.00003 0.00000 186 2S -0.00011 -0.00005 0.00004 0.00009 0.00001 187 16 H 1S 0.00001 0.00003 0.00001 0.00002 0.00005 188 2S 0.00017 0.00050 -0.00002 0.00004 0.00025 189 17 C 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 190 2S 0.00000 -0.00000 0.00001 0.00000 0.00000 191 2PX 0.00001 -0.00000 0.00002 0.00001 0.00000 192 2PY 0.00000 -0.00000 0.00002 0.00001 0.00000 193 2PZ 0.00000 0.00000 0.00001 -0.00000 -0.00000 194 3S 0.00003 -0.00002 0.00009 0.00003 0.00002 195 3PX 0.00006 -0.00003 0.00009 0.00003 0.00001 196 3PY 0.00005 -0.00004 0.00007 0.00004 0.00002 197 3PZ 0.00002 -0.00001 0.00003 -0.00004 -0.00001 198 4XX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 199 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 200 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 201 4XY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 202 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 203 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 204 18 C 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 205 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 206 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 207 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 208 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 209 3S -0.00002 -0.00000 -0.00000 -0.00000 0.00001 210 3PX -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 211 3PY 0.00001 0.00001 -0.00001 0.00000 -0.00000 212 3PZ -0.00000 -0.00000 -0.00001 0.00000 -0.00000 213 4XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 214 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 215 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 216 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 217 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 218 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 219 19 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 220 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 221 20 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 222 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 223 21 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 224 2S 0.00000 0.00004 -0.00001 -0.00000 -0.00001 225 22 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 226 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 227 23 H 1S 0.00004 -0.00000 0.00005 0.00001 0.00002 228 2S 0.00032 0.00007 0.00012 0.00006 0.00014 229 24 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 230 2S -0.00000 0.00004 0.00000 -0.00000 -0.00005 231 25 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 232 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 233 26 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 234 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 235 27 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 236 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 237 28 Br 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 238 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 239 3S -0.00000 0.00000 -0.00000 -0.00000 0.00000 240 4S -0.00000 0.00000 -0.00000 -0.00000 0.00000 241 5S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 242 6S 0.00000 0.00000 0.00000 0.00000 0.00000 243 7PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 244 7PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 245 7PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 246 8PX 0.00000 -0.00000 0.00000 0.00000 0.00000 247 8PY -0.00000 -0.00000 0.00000 0.00000 0.00000 248 8PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 249 9PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 250 9PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 251 9PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 252 10PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 253 10PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 254 10PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 255 11XX 0.00000 -0.00000 0.00000 0.00000 -0.00000 256 11YY 0.00000 -0.00000 0.00000 0.00000 0.00000 257 11ZZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 258 11XY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 259 11XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 260 11YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 261 12XX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 262 12YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 263 12ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 264 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 265 12XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 266 12YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 267 29 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 268 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 269 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 270 2PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 271 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 272 3S 0.00000 -0.00001 0.00000 -0.00000 0.00000 273 3PX -0.00000 -0.00000 0.00000 0.00001 -0.00000 274 3PY 0.00000 0.00000 0.00000 -0.00000 -0.00001 275 3PZ 0.00001 0.00000 0.00000 -0.00001 0.00000 276 4XX 0.00000 0.00000 -0.00000 0.00000 -0.00000 277 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 278 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 279 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 280 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 281 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 282 30 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 283 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 284 31 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 285 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 286 32 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 287 2S 0.00001 0.00002 -0.00000 -0.00001 0.00001 288 33 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 289 2S 0.00000 0.00000 0.00000 0.00000 0.00000 290 34 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 291 2S 0.00001 -0.00000 0.00000 0.00000 -0.00000 292 35 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 293 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 294 36 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 295 2S 0.00000 0.00000 0.00000 0.00000 0.00000 296 37 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 297 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 298 38 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 299 2S -0.00000 0.00000 0.00000 0.00000 0.00000 300 39 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 301 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 302 40 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 303 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 166 167 168 169 170 166 12 H 1S 0.21587 167 2S 0.10697 0.14060 168 13 H 1S -0.00048 -0.00703 0.21560 169 2S -0.00753 -0.02028 0.11041 0.15314 170 14 C 1S 0.00000 0.00012 0.00000 0.00013 2.05120 171 2S -0.00012 -0.00185 -0.00014 -0.00233 -0.01163 172 2PX -0.00029 -0.00423 -0.00008 -0.00086 0.00000 173 2PY -0.00018 -0.00244 -0.00019 -0.00278 0.00000 174 2PZ -0.00001 -0.00017 -0.00023 -0.00414 0.00000 175 3S -0.00205 -0.00553 -0.00205 -0.00651 -0.03437 176 3PX -0.00153 -0.00602 -0.00089 -0.00155 0.00000 177 3PY -0.00106 -0.00393 -0.00169 -0.00553 0.00000 178 3PZ -0.00006 -0.00028 -0.00151 -0.00669 0.00000 179 4XX 0.00003 0.00006 -0.00002 -0.00044 -0.00125 180 4YY 0.00001 0.00018 0.00001 0.00014 -0.00132 181 4ZZ -0.00000 -0.00008 0.00003 0.00054 -0.00134 182 4XY 0.00006 0.00017 0.00001 -0.00000 0.00000 183 4XZ 0.00001 0.00004 0.00002 0.00000 0.00000 184 4YZ 0.00000 0.00002 0.00005 0.00026 0.00000 185 15 H 1S -0.00001 -0.00042 -0.00001 -0.00068 -0.00172 186 2S -0.00043 -0.00163 -0.00054 -0.00271 -0.00079 187 16 H 1S -0.00001 -0.00057 0.00000 0.00043 -0.00165 188 2S -0.00060 -0.00267 0.00040 0.00473 -0.00049 189 17 C 1S -0.00000 -0.00000 0.00000 0.00001 0.00000 190 2S 0.00000 0.00008 -0.00000 -0.00019 -0.00015 191 2PX 0.00000 0.00014 -0.00000 -0.00022 -0.00024 192 2PY 0.00000 0.00017 -0.00001 -0.00012 -0.00045 193 2PZ 0.00000 0.00005 0.00000 0.00010 -0.00054 194 3S 0.00007 0.00108 -0.00027 -0.00188 0.00029 195 3PX 0.00005 0.00082 0.00009 0.00001 -0.00033 196 3PY 0.00011 0.00139 -0.00058 -0.00139 -0.00052 197 3PZ 0.00005 0.00047 -0.00001 0.00025 -0.00071 198 4XX -0.00000 -0.00001 0.00000 -0.00002 0.00000 199 4YY -0.00000 -0.00000 -0.00000 -0.00003 -0.00001 200 4ZZ 0.00000 0.00000 0.00000 0.00004 -0.00002 201 4XY -0.00000 -0.00001 -0.00000 -0.00002 -0.00002 202 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00002 203 4YZ 0.00000 0.00000 0.00000 0.00001 -0.00006 204 18 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 205 2S 0.00000 -0.00000 0.00000 -0.00001 0.00000 206 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 207 2PY 0.00000 0.00000 0.00000 -0.00003 0.00000 208 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 209 3S 0.00000 0.00005 -0.00004 -0.00060 0.00003 210 3PX 0.00000 -0.00001 -0.00000 -0.00000 0.00000 211 3PY 0.00000 0.00007 0.00001 0.00012 0.00007 212 3PZ -0.00000 -0.00006 -0.00000 -0.00001 0.00007 213 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 214 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 215 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 216 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 217 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 218 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 219 19 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 220 2S -0.00000 -0.00003 0.00000 0.00014 0.00001 221 20 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 222 2S 0.00000 0.00001 -0.00000 -0.00003 -0.00000 223 21 H 1S 0.00000 0.00000 -0.00000 0.00040 0.00000 224 2S -0.00000 -0.00005 0.00030 0.00403 0.00013 225 22 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 226 2S -0.00000 -0.00013 0.00000 -0.00005 0.00013 227 23 H 1S -0.00001 -0.00051 0.00000 0.00043 0.00000 228 2S -0.00067 -0.00287 0.00043 0.00502 0.00001 229 24 H 1S 0.00000 0.00001 -0.00000 0.00038 0.00000 230 2S -0.00000 -0.00004 0.00047 0.00478 0.00000 231 25 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 232 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 233 26 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 234 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 235 27 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 236 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 237 28 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 238 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 239 3S 0.00000 0.00000 0.00000 0.00000 0.00000 240 4S -0.00000 0.00000 0.00000 0.00000 0.00000 241 5S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 242 6S -0.00000 0.00000 0.00000 0.00000 0.00000 243 7PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 244 7PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 245 7PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 246 8PX -0.00000 -0.00000 0.00000 0.00000 0.00000 247 8PY -0.00000 -0.00000 0.00000 0.00000 0.00000 248 8PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 249 9PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 250 9PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 251 9PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 252 10PX 0.00000 0.00001 -0.00000 -0.00001 -0.00000 253 10PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 254 10PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 255 11XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 256 11YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 257 11ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 258 11XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 259 11XZ -0.00000 0.00000 0.00000 0.00000 0.00000 260 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 12XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 262 12YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 263 12ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 264 12XY -0.00000 -0.00000 0.00000 0.00000 0.00000 265 12XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 266 12YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 267 29 C 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 268 2S 0.00000 0.00001 -0.00000 -0.00003 -0.00000 269 2PX 0.00000 0.00001 -0.00001 0.00001 -0.00000 270 2PY -0.00000 -0.00000 -0.00000 -0.00002 0.00000 271 2PZ -0.00000 0.00000 -0.00000 0.00011 -0.00000 272 3S -0.00001 -0.00012 -0.00011 0.00017 -0.00000 273 3PX -0.00001 -0.00001 -0.00033 -0.00007 -0.00000 274 3PY 0.00000 0.00003 -0.00010 -0.00036 0.00000 275 3PZ -0.00001 -0.00003 0.00008 0.00095 -0.00000 276 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 277 4YY 0.00000 0.00000 -0.00000 -0.00001 -0.00000 278 4ZZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 279 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 280 4XZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 281 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 282 30 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 283 2S -0.00000 -0.00004 0.00001 -0.00001 -0.00000 284 31 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 285 2S 0.00000 0.00002 -0.00000 -0.00007 0.00000 286 32 H 1S 0.00000 0.00001 -0.00002 0.00041 -0.00000 287 2S 0.00001 0.00006 0.00106 0.00490 0.00000 288 33 H 1S -0.00000 0.00010 0.00000 0.00000 0.00000 289 2S 0.00000 0.00051 0.00000 0.00005 0.00000 290 34 H 1S -0.00002 0.00025 0.00000 0.00001 -0.00000 291 2S 0.00042 0.00308 0.00002 0.00012 0.00000 292 35 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 293 2S 0.00000 0.00001 -0.00000 -0.00000 -0.00000 294 36 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 295 2S 0.00000 0.00001 0.00000 0.00000 0.00000 296 37 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 297 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 298 38 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 299 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 300 39 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 301 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 302 40 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 303 2S -0.00000 0.00000 0.00000 0.00000 0.00000 171 172 173 174 175 171 2S 0.30440 172 2PX 0.00000 0.38685 173 2PY 0.00000 -0.00000 0.40036 174 2PZ 0.00000 0.00000 -0.00000 0.39447 175 3S 0.22760 0.00000 0.00000 0.00000 0.27924 176 3PX 0.00000 0.09704 -0.00000 0.00000 0.00000 177 3PY 0.00000 -0.00000 0.10322 -0.00000 0.00000 178 3PZ 0.00000 0.00000 0.00000 0.09928 0.00000 179 4XX -0.00310 0.00000 0.00000 0.00000 -0.00247 180 4YY -0.00166 0.00000 0.00000 0.00000 -0.00080 181 4ZZ -0.00181 0.00000 0.00000 0.00000 -0.00051 182 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 183 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 184 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 185 15 H 1S 0.02825 0.04021 0.05186 0.00608 0.03568 186 2S 0.01189 0.02435 0.03141 0.00366 0.01435 187 16 H 1S 0.02672 0.00468 0.02558 0.06670 0.03769 188 2S 0.00895 0.00309 0.01659 0.04256 0.01495 189 17 C 1S -0.00015 -0.00020 -0.00046 -0.00056 0.00029 190 2S 0.00383 0.00429 0.00928 0.01139 0.00105 191 2PX 0.00463 -0.00040 0.00711 0.00854 0.00728 192 2PY 0.00925 0.00692 0.00637 0.01781 0.01037 193 2PZ 0.01121 0.00841 0.01768 0.01088 0.01327 194 3S 0.00113 0.00384 0.01094 0.01535 -0.01044 195 3PX 0.00405 -0.00265 0.00423 0.00519 0.00689 196 3PY 0.00740 0.00482 -0.00140 0.01045 0.00759 197 3PZ 0.00927 0.00565 0.01005 -0.00022 0.01072 198 4XX -0.00017 -0.00008 -0.00023 -0.00005 -0.00060 199 4YY 0.00020 0.00030 -0.00048 0.00042 0.00050 200 4ZZ 0.00030 0.00024 0.00081 -0.00066 0.00062 201 4XY 0.00041 -0.00000 0.00016 0.00085 0.00019 202 4XZ 0.00045 -0.00000 0.00081 0.00014 0.00025 203 4YZ 0.00103 0.00081 0.00014 0.00049 0.00067 204 18 C 1S 0.00000 0.00000 0.00000 0.00000 0.00003 205 2S -0.00003 -0.00000 -0.00012 -0.00005 -0.00039 206 2PX -0.00000 0.00001 -0.00003 -0.00001 0.00010 207 2PY -0.00010 0.00000 -0.00020 -0.00021 -0.00141 208 2PZ -0.00007 0.00000 -0.00021 -0.00003 -0.00131 209 3S -0.00028 -0.00025 -0.00192 -0.00050 0.00023 210 3PX -0.00009 0.00029 -0.00055 -0.00020 0.00008 211 3PY -0.00095 -0.00008 -0.00103 -0.00255 -0.00303 212 3PZ -0.00092 0.00001 -0.00200 -0.00002 -0.00356 213 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00007 214 4YY 0.00001 -0.00000 0.00002 0.00002 0.00006 215 4ZZ 0.00000 -0.00000 0.00001 0.00000 0.00007 216 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 217 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00001 218 4YZ 0.00001 -0.00000 0.00005 0.00003 0.00014 219 19 H 1S -0.00000 0.00000 -0.00001 -0.00000 -0.00023 220 2S -0.00017 0.00008 -0.00017 -0.00015 -0.00164 221 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00007 222 2S 0.00009 0.00000 0.00023 0.00014 0.00111 223 21 H 1S -0.00014 -0.00012 -0.00001 -0.00040 -0.00248 224 2S -0.00232 -0.00153 0.00005 -0.00641 -0.00766 225 22 H 1S -0.00012 -0.00024 -0.00020 -0.00002 -0.00260 226 2S -0.00190 -0.00349 -0.00292 -0.00028 -0.00762 227 23 H 1S -0.00000 -0.00002 -0.00000 0.00000 -0.00030 228 2S -0.00023 -0.00034 0.00021 -0.00003 -0.00168 229 24 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00005 230 2S -0.00001 0.00001 -0.00000 -0.00006 -0.00064 231 25 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 232 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 233 26 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 234 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 235 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 236 2S 0.00000 0.00000 0.00000 0.00000 0.00000 237 28 Br 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 238 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 239 3S 0.00000 0.00000 -0.00000 0.00000 -0.00000 240 4S 0.00000 0.00000 0.00000 0.00000 -0.00000 241 5S 0.00000 0.00000 0.00000 -0.00000 0.00000 242 6S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 243 7PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 244 7PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 245 7PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 246 8PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 247 8PY 0.00000 0.00000 -0.00000 0.00000 0.00000 248 8PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 249 9PX 0.00000 0.00000 0.00000 -0.00000 0.00000 250 9PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 251 9PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 252 10PX 0.00000 0.00000 -0.00000 0.00000 0.00000 253 10PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 254 10PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 255 11XX -0.00000 0.00000 0.00000 -0.00000 0.00000 256 11YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 257 11ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 258 11XY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 259 11XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 260 11YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 261 12XX -0.00000 0.00000 0.00000 -0.00000 0.00000 262 12YY 0.00000 0.00000 0.00000 -0.00000 0.00000 263 12ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 264 12XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 265 12XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 266 12YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 267 29 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 268 2S 0.00000 0.00000 0.00000 0.00000 0.00000 269 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 270 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 271 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 272 3S 0.00000 0.00000 0.00000 0.00000 0.00001 273 3PX 0.00000 0.00000 0.00000 0.00000 0.00003 274 3PY -0.00000 -0.00000 0.00000 -0.00000 -0.00001 275 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 276 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 277 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 278 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 279 4XY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 280 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 281 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 282 30 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 283 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 284 31 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 285 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 286 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 287 2S -0.00000 -0.00001 -0.00000 -0.00000 0.00000 288 33 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 289 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 290 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 291 2S -0.00000 -0.00001 -0.00000 0.00000 0.00003 292 35 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 293 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 294 36 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 295 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 296 37 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 297 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 298 38 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 299 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 300 39 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 301 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 302 40 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 303 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 176 177 178 179 180 176 3PX 0.07729 177 3PY -0.00000 0.08378 178 3PZ 0.00000 0.00000 0.07910 179 4XX 0.00000 0.00000 0.00000 0.00096 180 4YY 0.00000 0.00000 0.00000 0.00002 0.00065 181 4ZZ 0.00000 0.00000 0.00000 -0.00015 -0.00002 182 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 183 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 184 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 15 H 1S 0.02540 0.03366 0.00423 0.00035 0.00147 186 2S 0.02412 0.03199 0.00401 0.00070 0.00182 187 16 H 1S 0.00367 0.01683 0.04102 -0.00096 -0.00043 188 2S 0.00375 0.01676 0.04028 -0.00220 -0.00075 189 17 C 1S -0.00023 -0.00054 -0.00076 0.00000 -0.00001 190 2S 0.00338 0.00758 0.00966 -0.00015 0.00020 191 2PX -0.00194 0.00363 0.00491 -0.00010 0.00022 192 2PY 0.00395 -0.00151 0.01098 -0.00023 -0.00044 193 2PZ 0.00561 0.01168 -0.00023 -0.00006 0.00053 194 3S 0.00242 0.00860 0.01348 -0.00022 0.00028 195 3PX -0.00301 0.00277 0.00387 -0.00045 0.00018 196 3PY 0.00349 -0.00432 0.00817 -0.00022 -0.00054 197 3PZ 0.00477 0.00856 -0.00572 -0.00006 0.00062 198 4XX -0.00035 -0.00023 -0.00014 0.00001 0.00001 199 4YY 0.00033 -0.00065 0.00049 0.00001 0.00001 200 4ZZ 0.00017 0.00070 -0.00072 -0.00003 -0.00004 201 4XY 0.00004 -0.00001 0.00020 0.00000 -0.00001 202 4XZ 0.00006 0.00018 0.00000 -0.00000 -0.00006 203 4YZ 0.00022 -0.00001 0.00001 -0.00004 0.00003 204 18 C 1S 0.00000 0.00010 0.00003 0.00000 -0.00000 205 2S -0.00001 -0.00154 -0.00052 -0.00000 0.00001 206 2PX 0.00013 -0.00013 -0.00005 0.00000 0.00000 207 2PY 0.00018 -0.00146 -0.00254 -0.00000 0.00003 208 2PZ 0.00019 -0.00205 -0.00008 -0.00000 0.00002 209 3S -0.00053 -0.00516 -0.00098 -0.00003 0.00014 210 3PX 0.00091 -0.00076 -0.00031 -0.00000 0.00005 211 3PY 0.00016 -0.00180 -0.00563 -0.00012 0.00024 212 3PZ 0.00023 -0.00424 0.00000 0.00001 0.00016 213 4XX 0.00001 -0.00011 -0.00013 0.00000 0.00000 214 4YY -0.00001 0.00012 0.00016 -0.00000 -0.00000 215 4ZZ -0.00001 0.00015 0.00009 0.00000 -0.00000 216 4XY -0.00002 -0.00002 -0.00001 0.00000 0.00000 217 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 218 4YZ -0.00002 0.00019 0.00007 -0.00000 0.00000 219 19 H 1S 0.00006 -0.00058 0.00007 0.00000 -0.00000 220 2S 0.00038 -0.00142 -0.00010 0.00001 -0.00004 221 20 H 1S 0.00000 0.00012 0.00008 0.00000 -0.00000 222 2S 0.00003 0.00172 0.00101 -0.00000 -0.00001 223 21 H 1S -0.00120 -0.00029 -0.00298 0.00000 -0.00001 224 2S -0.00352 -0.00027 -0.01103 -0.00005 -0.00029 225 22 H 1S -0.00112 -0.00098 -0.00037 0.00004 0.00001 226 2S -0.00494 -0.00404 -0.00076 0.00047 0.00010 227 23 H 1S -0.00059 0.00007 0.00002 -0.00000 0.00000 228 2S -0.00097 0.00072 -0.00001 -0.00008 0.00002 229 24 H 1S -0.00001 -0.00001 0.00002 0.00000 0.00000 230 2S 0.00002 -0.00007 0.00001 -0.00000 0.00000 231 25 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 232 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 233 26 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 234 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 235 27 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 236 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 237 28 Br 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 238 2S -0.00000 0.00000 0.00000 0.00000 0.00000 239 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 240 4S 0.00000 -0.00000 -0.00000 0.00000 0.00000 241 5S 0.00000 0.00000 -0.00000 0.00000 -0.00000 242 6S -0.00000 -0.00000 0.00000 -0.00000 0.00000 243 7PX 0.00000 0.00000 -0.00000 0.00000 0.00000 244 7PY 0.00000 0.00000 -0.00000 0.00000 0.00000 245 7PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 246 8PX 0.00000 0.00000 0.00000 -0.00000 0.00000 247 8PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 248 8PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 249 9PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 250 9PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 251 9PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 252 10PX -0.00001 -0.00001 -0.00000 0.00000 -0.00000 253 10PY -0.00001 0.00000 -0.00000 0.00000 -0.00000 254 10PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 255 11XX -0.00000 0.00000 0.00000 -0.00000 -0.00000 256 11YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 257 11ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 258 11XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 259 11XZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 260 11YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 261 12XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 262 12YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 263 12ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 264 12XY -0.00000 0.00000 0.00000 -0.00000 0.00000 265 12XZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 266 12YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 267 29 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 268 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 269 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 270 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 271 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 272 3S 0.00004 0.00001 0.00003 0.00000 -0.00000 273 3PX 0.00005 0.00002 0.00001 0.00000 -0.00000 274 3PY -0.00003 0.00000 -0.00001 -0.00000 0.00000 275 3PZ 0.00003 0.00000 0.00003 0.00000 0.00000 276 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 277 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 278 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 279 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 280 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 281 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 282 30 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 283 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 284 31 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 285 2S -0.00001 -0.00000 0.00000 0.00000 0.00000 286 32 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 287 2S -0.00005 -0.00003 -0.00005 -0.00000 0.00000 288 33 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 289 2S -0.00002 -0.00000 0.00000 0.00000 0.00000 290 34 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 291 2S -0.00006 -0.00001 0.00000 -0.00000 0.00000 292 35 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 293 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 294 36 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 295 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 296 37 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 297 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 298 38 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 299 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 300 39 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 301 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 302 40 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 303 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 181 182 183 184 185 181 4ZZ 0.00111 182 4XY -0.00000 0.00145 183 4XZ 0.00000 0.00000 0.00077 184 4YZ -0.00000 -0.00000 -0.00000 0.00133 185 15 H 1S -0.00085 0.00373 0.00051 0.00062 0.21380 186 2S -0.00177 0.00073 0.00011 0.00015 0.10519 187 16 H 1S 0.00342 0.00024 0.00056 0.00312 -0.00045 188 2S 0.00407 0.00004 0.00013 0.00070 -0.00714 189 17 C 1S -0.00001 -0.00002 -0.00003 -0.00005 0.00000 190 2S 0.00027 0.00041 0.00046 0.00102 -0.00012 191 2PX 0.00020 -0.00001 -0.00000 0.00081 -0.00000 192 2PY 0.00078 0.00008 0.00085 0.00019 -0.00031 193 2PZ -0.00061 0.00079 0.00010 0.00054 -0.00016 194 3S 0.00043 0.00029 0.00027 0.00057 -0.00248 195 3PX 0.00024 0.00007 0.00003 0.00019 0.00001 196 3PY 0.00057 -0.00000 0.00021 -0.00002 -0.00150 197 3PZ -0.00074 0.00020 0.00000 0.00001 -0.00110 198 4XX -0.00003 0.00000 -0.00000 -0.00002 -0.00000 199 4YY -0.00005 -0.00002 -0.00004 0.00002 0.00005 200 4ZZ 0.00004 -0.00004 0.00003 -0.00005 0.00000 201 4XY -0.00005 0.00001 0.00000 -0.00000 0.00000 202 4XZ 0.00004 0.00000 0.00001 -0.00002 0.00000 203 4YZ -0.00004 -0.00003 -0.00003 0.00005 0.00005 204 18 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 205 2S -0.00000 0.00000 0.00000 0.00001 0.00000 206 2PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 207 2PY 0.00000 0.00001 0.00000 0.00004 0.00000 208 2PZ -0.00000 0.00000 0.00000 0.00001 0.00000 209 3S -0.00006 0.00003 0.00001 0.00009 0.00008 210 3PX -0.00001 -0.00004 -0.00003 0.00002 0.00006 211 3PY 0.00004 0.00003 0.00002 0.00009 0.00011 212 3PZ -0.00006 0.00002 0.00001 0.00005 0.00005 213 4XX -0.00000 0.00000 -0.00000 -0.00000 0.00000 214 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 215 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 216 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 217 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 218 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 219 19 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 220 2S 0.00002 0.00001 -0.00000 -0.00002 -0.00000 221 20 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 222 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 223 21 H 1S 0.00008 -0.00000 0.00004 -0.00001 -0.00001 224 2S 0.00079 -0.00002 0.00016 -0.00007 -0.00066 225 22 H 1S -0.00001 0.00006 0.00000 -0.00000 -0.00001 226 2S -0.00030 0.00022 -0.00003 -0.00004 -0.00034 227 23 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 228 2S 0.00003 0.00001 -0.00000 -0.00000 -0.00000 229 24 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 230 2S 0.00001 0.00000 -0.00000 -0.00000 -0.00000 231 25 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 232 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 233 26 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 234 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 235 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 236 2S 0.00000 0.00000 0.00000 0.00000 0.00000 237 28 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 238 2S 0.00000 0.00000 0.00000 0.00000 0.00000 239 3S 0.00000 0.00000 0.00000 0.00000 0.00000 240 4S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 241 5S 0.00000 0.00000 -0.00000 0.00000 -0.00000 242 6S -0.00000 -0.00000 0.00000 0.00000 0.00000 243 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 244 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 245 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 8PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 247 8PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 248 8PZ -0.00000 0.00000 0.00000 0.00000 0.00000 249 9PX -0.00000 0.00000 0.00000 0.00000 0.00000 250 9PY -0.00000 0.00000 0.00000 0.00000 0.00000 251 9PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 252 10PX -0.00000 0.00000 0.00000 0.00000 0.00000 253 10PY -0.00000 0.00000 0.00000 0.00000 0.00000 254 10PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 255 11XX -0.00000 0.00000 0.00000 0.00000 0.00000 256 11YY -0.00000 0.00000 0.00000 0.00000 0.00000 257 11ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 258 11XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 259 11XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 260 11YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 261 12XX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 262 12YY -0.00000 0.00000 0.00000 0.00000 -0.00000 263 12ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 264 12XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 265 12XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 266 12YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 267 29 C 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 268 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 269 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 270 2PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 271 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 272 3S -0.00000 0.00000 0.00000 -0.00000 -0.00000 273 3PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 274 3PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 275 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 276 4XX 0.00000 -0.00000 -0.00000 0.00000 0.00000 277 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 278 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 279 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 280 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 281 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 282 30 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 283 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 284 31 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 285 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 286 32 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 287 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 288 33 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 289 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 290 34 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 291 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 292 35 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 293 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 294 36 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 295 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 296 37 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 297 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 298 38 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 299 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 300 39 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 301 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 302 40 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 303 2S 0.00000 0.00000 0.00000 0.00000 0.00000 186 187 188 189 190 186 2S 0.13375 187 16 H 1S -0.00634 0.21434 188 2S -0.01874 0.11143 0.15359 189 17 C 1S 0.00012 0.00000 0.00013 2.05113 190 2S -0.00186 -0.00014 -0.00233 -0.01159 0.30412 191 2PX -0.00003 -0.00008 -0.00136 0.00000 0.00000 192 2PY -0.00452 -0.00001 0.00007 0.00000 0.00000 193 2PZ -0.00222 -0.00043 -0.00665 0.00000 0.00000 194 3S -0.00726 -0.00245 -0.00764 -0.03425 0.22650 195 3PX -0.00002 -0.00061 -0.00216 0.00000 0.00000 196 3PY -0.00633 -0.00031 -0.00028 0.00000 0.00000 197 3PZ -0.00361 -0.00355 -0.01255 0.00000 0.00000 198 4XX -0.00010 -0.00000 -0.00009 -0.00136 -0.00129 199 4YY 0.00043 -0.00001 -0.00026 -0.00124 -0.00324 200 4ZZ -0.00009 0.00009 0.00082 -0.00131 -0.00198 201 4XY 0.00001 -0.00000 -0.00002 -0.00000 0.00000 202 4XZ 0.00001 0.00004 0.00015 0.00000 -0.00000 203 4YZ 0.00016 -0.00000 -0.00007 0.00000 -0.00000 204 18 C 1S -0.00000 0.00000 0.00001 0.00000 -0.00015 205 2S 0.00009 -0.00000 -0.00017 -0.00015 0.00387 206 2PX 0.00005 -0.00000 -0.00002 -0.00049 0.01005 207 2PY 0.00020 -0.00000 -0.00025 -0.00060 0.01211 208 2PZ 0.00010 -0.00001 0.00000 -0.00012 0.00227 209 3S 0.00117 -0.00024 -0.00177 0.00039 0.00037 210 3PX 0.00061 -0.00002 -0.00010 -0.00059 0.00842 211 3PY 0.00140 0.00015 0.00006 -0.00074 0.01016 212 3PZ 0.00076 -0.00058 -0.00125 -0.00013 0.00193 213 4XX 0.00000 0.00000 0.00001 -0.00001 0.00028 214 4YY -0.00001 -0.00000 -0.00000 -0.00002 0.00039 215 4ZZ -0.00001 0.00000 0.00001 0.00000 -0.00021 216 4XY 0.00000 -0.00000 0.00000 -0.00006 0.00116 217 4XZ 0.00000 -0.00000 -0.00000 -0.00001 0.00025 218 4YZ -0.00001 -0.00000 -0.00004 -0.00002 0.00029 219 19 H 1S 0.00000 -0.00000 0.00030 0.00000 -0.00014 220 2S -0.00006 0.00035 0.00381 0.00013 -0.00227 221 20 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00012 222 2S -0.00014 0.00000 -0.00005 0.00011 -0.00177 223 21 H 1S -0.00060 0.00000 0.00042 -0.00165 0.02668 224 2S -0.00297 0.00041 0.00473 -0.00050 0.00898 225 22 H 1S -0.00034 -0.00001 -0.00066 -0.00172 0.02824 226 2S -0.00143 -0.00059 -0.00294 -0.00080 0.01198 227 23 H 1S 0.00001 -0.00000 0.00032 0.00000 0.00000 228 2S -0.00004 0.00062 0.00500 0.00000 -0.00001 229 24 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 230 2S -0.00004 0.00000 0.00017 0.00001 -0.00019 231 25 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 232 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 233 26 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 234 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 235 27 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 236 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 237 28 Br 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 238 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 239 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 240 4S -0.00000 -0.00000 0.00000 0.00000 -0.00000 241 5S -0.00000 0.00000 -0.00000 0.00000 0.00000 242 6S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 243 7PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 244 7PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 245 7PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 246 8PX 0.00000 0.00000 0.00000 0.00000 -0.00000 247 8PY -0.00000 0.00000 0.00000 0.00000 -0.00000 248 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 249 9PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 250 9PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 251 9PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 252 10PX -0.00000 -0.00000 -0.00001 -0.00000 0.00000 253 10PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 254 10PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 255 11XX 0.00000 0.00000 -0.00000 0.00000 0.00000 256 11YY 0.00000 0.00000 -0.00000 0.00000 0.00000 257 11ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 258 11XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 259 11XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 260 11YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 261 12XX -0.00000 0.00000 0.00000 0.00000 0.00000 262 12YY -0.00000 0.00000 -0.00000 0.00000 0.00000 263 12ZZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 264 12XY -0.00000 -0.00000 0.00000 0.00000 0.00000 265 12XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 266 12YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 267 29 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 268 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 269 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 270 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 271 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 272 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 273 3PX 0.00000 -0.00000 -0.00001 0.00000 -0.00000 274 3PY 0.00000 0.00000 0.00000 0.00000 -0.00000 275 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 276 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 277 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 278 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 279 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 280 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 281 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 282 30 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 283 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 284 31 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 285 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 286 32 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 287 2S 0.00001 0.00000 0.00001 0.00000 0.00000 288 33 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 289 2S 0.00000 -0.00000 0.00001 -0.00000 0.00000 290 34 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 291 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 292 35 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 293 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 294 36 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 295 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 296 37 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 297 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 298 38 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 299 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 300 39 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 301 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 302 40 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 303 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 191 192 193 194 195 191 2PX 0.39613 192 2PY 0.00000 0.38997 193 2PZ -0.00000 -0.00000 0.39702 194 3S 0.00000 0.00000 0.00000 0.27691 195 3PX 0.09925 0.00000 -0.00000 0.00000 0.07830 196 3PY 0.00000 0.09733 -0.00000 0.00000 0.00000 197 3PZ 0.00000 -0.00000 0.10186 0.00000 -0.00000 198 4XX 0.00000 0.00000 0.00000 -0.00047 0.00000 199 4YY 0.00000 0.00000 0.00000 -0.00229 0.00000 200 4ZZ 0.00000 0.00000 0.00000 -0.00092 0.00000 201 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 202 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 203 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 204 18 C 1S -0.00055 -0.00057 -0.00012 0.00024 -0.00076 205 2S 0.01117 0.01219 0.00239 0.00164 0.00962 206 2PX 0.00924 0.02161 0.00420 0.01045 -0.00076 207 2PY 0.02196 0.01321 0.00492 0.01424 0.01189 208 2PZ 0.00430 0.00482 -0.00073 0.00256 0.00226 209 3S 0.01586 0.01263 0.00211 -0.01110 0.01407 210 3PX -0.00067 0.01601 0.00238 0.00745 -0.00532 211 3PY 0.01314 0.00077 0.00301 0.01137 0.00910 212 3PZ 0.00231 0.00371 -0.00055 0.00196 0.00147 213 4XX -0.00067 0.00079 0.00007 0.00068 -0.00083 214 4YY 0.00085 -0.00057 0.00020 0.00067 0.00080 215 4ZZ -0.00019 -0.00027 0.00001 -0.00073 -0.00025 216 4XY 0.00047 0.00051 0.00061 0.00064 -0.00000 217 4XZ 0.00001 0.00056 0.00016 0.00015 0.00000 218 4YZ 0.00059 0.00015 0.00020 0.00015 0.00014 219 19 H 1S -0.00015 -0.00032 -0.00003 -0.00197 -0.00120 220 2S -0.00246 -0.00483 -0.00058 -0.00623 -0.00393 221 20 H 1S -0.00001 -0.00028 -0.00017 -0.00193 -0.00008 222 2S -0.00018 -0.00413 -0.00271 -0.00520 -0.00011 223 21 H 1S 0.00955 0.02749 0.05991 0.03812 0.00488 224 2S 0.00593 0.01762 0.03844 0.01588 0.00462 225 22 H 1S 0.06228 0.01984 0.01597 0.03566 0.04047 226 2S 0.03751 0.01203 0.00965 0.01444 0.03823 227 23 H 1S 0.00000 0.00000 0.00000 -0.00005 -0.00002 228 2S -0.00004 0.00000 -0.00002 -0.00065 -0.00013 229 24 H 1S -0.00001 0.00000 -0.00001 -0.00028 0.00005 230 2S -0.00040 0.00005 0.00022 -0.00161 -0.00014 231 25 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 232 2S 0.00000 -0.00000 0.00000 0.00007 0.00015 233 26 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 234 2S -0.00000 -0.00000 -0.00000 -0.00002 -0.00005 235 27 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 236 2S 0.00000 0.00000 0.00000 0.00000 0.00000 237 28 Br 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 238 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 239 3S 0.00000 0.00000 0.00000 0.00000 0.00000 240 4S 0.00000 0.00000 0.00000 0.00000 0.00000 241 5S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 242 6S 0.00000 -0.00000 0.00000 -0.00000 0.00000 243 7PX 0.00000 0.00000 -0.00000 0.00000 0.00000 244 7PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 245 7PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 246 8PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 247 8PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 248 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 249 9PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 250 9PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 251 9PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 252 10PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 253 10PY 0.00000 -0.00000 0.00000 0.00000 0.00000 254 10PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 255 11XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 256 11YY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 257 11ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 258 11XY -0.00000 0.00000 -0.00000 0.00000 0.00000 259 11XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 260 11YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 261 12XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 262 12YY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 263 12ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 264 12XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 265 12XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 266 12YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 267 29 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 268 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 269 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 270 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 271 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 272 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 273 3PX -0.00000 -0.00000 0.00000 0.00001 -0.00001 274 3PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 275 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 276 4XX 0.00000 0.00000 0.00000 -0.00000 0.00000 277 4YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 278 4ZZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 279 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 280 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 281 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 282 30 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 283 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 284 31 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 285 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 286 32 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 287 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00001 288 33 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 289 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 290 34 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 291 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 292 35 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 293 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 294 36 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 295 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 296 37 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 297 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 298 38 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 299 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 300 39 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 301 2S -0.00000 0.00000 0.00000 0.00000 0.00000 302 40 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 303 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 196 197 198 199 200 196 3PY 0.07758 197 3PZ -0.00000 0.08222 198 4XX 0.00000 0.00000 0.00092 199 4YY 0.00000 0.00000 -0.00002 0.00066 200 4ZZ 0.00000 0.00000 -0.00010 0.00001 0.00093 201 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 202 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 203 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 204 18 C 1S -0.00073 -0.00011 -0.00001 -0.00002 0.00000 205 2S 0.00997 0.00181 0.00025 0.00045 -0.00023 206 2PX 0.01300 0.00262 -0.00048 0.00085 -0.00019 207 2PY 0.00066 0.00251 0.00075 -0.00060 -0.00035 208 2PZ 0.00231 -0.00156 0.00009 0.00021 0.00001 209 3S 0.00911 0.00112 0.00028 0.00101 -0.00069 210 3PX 0.01210 0.00185 -0.00047 0.00074 -0.00041 211 3PY -0.00476 0.00195 0.00063 -0.00064 -0.00044 212 3PZ 0.00236 -0.00089 0.00015 0.00020 -0.00026 213 4XX 0.00081 0.00009 0.00003 -0.00007 -0.00000 214 4YY -0.00064 0.00017 -0.00007 0.00001 0.00001 215 4ZZ -0.00035 -0.00021 -0.00001 0.00002 0.00000 216 4XY 0.00002 0.00015 -0.00002 0.00001 -0.00002 217 4XZ 0.00014 0.00018 0.00002 -0.00004 0.00000 218 4YZ 0.00001 0.00019 -0.00002 -0.00000 -0.00000 219 19 H 1S -0.00273 -0.00011 -0.00000 0.00004 -0.00000 220 2S -0.00910 -0.00101 -0.00013 0.00029 0.00005 221 20 H 1S -0.00161 -0.00106 -0.00001 0.00003 0.00001 222 2S -0.00636 -0.00438 -0.00025 0.00022 0.00023 223 21 H 1S 0.01756 0.03911 -0.00084 -0.00036 0.00246 224 2S 0.01722 0.03888 -0.00177 -0.00036 0.00305 225 22 H 1S 0.01282 0.00998 0.00280 -0.00063 -0.00079 226 2S 0.01218 0.00947 0.00321 -0.00090 -0.00147 227 23 H 1S 0.00000 0.00001 -0.00000 0.00000 0.00000 228 2S 0.00001 -0.00004 -0.00001 0.00000 0.00000 229 24 H 1S 0.00002 -0.00050 -0.00000 0.00000 0.00000 230 2S 0.00016 -0.00016 -0.00004 0.00002 0.00002 231 25 H 1S 0.00001 0.00000 -0.00000 0.00000 -0.00000 232 2S -0.00001 0.00001 -0.00000 0.00000 -0.00000 233 26 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 234 2S -0.00004 -0.00001 0.00000 -0.00000 0.00000 235 27 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 236 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 237 28 Br 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 238 2S 0.00000 0.00000 0.00000 0.00000 0.00000 239 3S -0.00000 0.00000 0.00000 0.00000 0.00000 240 4S -0.00000 0.00000 0.00000 0.00000 0.00000 241 5S -0.00000 -0.00000 0.00000 -0.00000 0.00000 242 6S -0.00000 0.00000 0.00000 0.00000 -0.00000 243 7PX -0.00000 -0.00000 0.00000 0.00000 0.00000 244 7PY -0.00000 -0.00000 0.00000 0.00000 0.00000 245 7PZ -0.00000 0.00000 0.00000 0.00000 0.00000 246 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 247 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 248 8PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 249 9PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 250 9PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 251 9PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 252 10PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 253 10PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 254 10PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 255 11XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 256 11YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 257 11ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 258 11XY -0.00000 0.00000 0.00000 -0.00000 -0.00000 259 11XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 260 11YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 261 12XX -0.00000 -0.00000 0.00000 -0.00000 0.00000 262 12YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 263 12ZZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 264 12XY -0.00000 0.00000 0.00000 0.00000 0.00000 265 12XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 266 12YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 267 29 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 268 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 269 2PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 270 2PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 271 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 272 3S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 273 3PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 274 3PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 275 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 276 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 277 4YY 0.00000 -0.00000 0.00000 0.00000 -0.00000 278 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 279 4XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 280 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 281 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 282 30 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 283 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 284 31 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 285 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 286 32 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 287 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 288 33 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 289 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 290 34 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 291 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 292 35 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 293 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 294 36 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 295 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 296 37 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 297 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 298 38 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 299 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 300 39 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 301 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 302 40 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 303 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 201 202 203 204 205 201 4XY 0.00126 202 4XZ -0.00000 0.00098 203 4YZ 0.00000 -0.00000 0.00143 204 18 C 1S -0.00007 -0.00001 -0.00002 2.05166 205 2S 0.00124 0.00027 0.00031 -0.01178 0.30558 206 2PX 0.00052 0.00010 0.00059 0.00000 0.00000 207 2PY 0.00064 0.00061 0.00015 0.00000 0.00000 208 2PZ 0.00060 0.00010 0.00020 0.00000 0.00000 209 3S 0.00072 0.00014 0.00023 -0.03490 0.23194 210 3PX -0.00000 -0.00000 0.00017 0.00000 0.00000 211 3PY 0.00003 0.00015 0.00001 0.00000 0.00000 212 3PZ 0.00013 0.00006 0.00019 0.00000 0.00000 213 4XX -0.00004 0.00002 -0.00004 -0.00119 -0.00422 214 4YY 0.00002 -0.00005 0.00000 -0.00133 -0.00190 215 4ZZ -0.00002 0.00000 -0.00000 -0.00139 -0.00053 216 4XY 0.00007 -0.00002 -0.00004 -0.00000 0.00000 217 4XZ -0.00003 -0.00001 -0.00000 -0.00000 0.00000 218 4YZ -0.00004 -0.00001 -0.00002 -0.00000 0.00000 219 19 H 1S 0.00005 0.00001 0.00001 -0.00164 0.02659 220 2S 0.00015 0.00005 0.00009 -0.00041 0.00805 221 20 H 1S -0.00000 0.00000 0.00006 -0.00169 0.02770 222 2S -0.00006 -0.00001 0.00025 -0.00064 0.01027 223 21 H 1S 0.00048 0.00111 0.00309 0.00000 -0.00014 224 2S 0.00013 0.00027 0.00064 0.00013 -0.00238 225 22 H 1S 0.00221 0.00163 0.00056 0.00000 -0.00013 226 2S 0.00045 0.00034 0.00009 0.00014 -0.00209 227 23 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 228 2S 0.00000 0.00000 0.00000 0.00001 -0.00024 229 24 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00016 230 2S -0.00000 -0.00003 0.00001 0.00016 -0.00267 231 25 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00002 232 2S 0.00000 -0.00000 -0.00000 0.00003 -0.00065 233 26 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 234 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00009 235 27 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 236 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 237 28 Br 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 238 2S 0.00000 0.00000 0.00000 0.00000 0.00000 239 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 240 4S 0.00000 0.00000 0.00000 0.00000 -0.00000 241 5S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 242 6S 0.00000 -0.00000 0.00000 -0.00000 0.00000 243 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 244 7PY 0.00000 0.00000 0.00000 0.00000 -0.00000 245 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 8PX 0.00000 0.00000 0.00000 0.00000 -0.00000 247 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 248 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 249 9PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 250 9PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 251 9PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 252 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 253 10PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 254 10PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 255 11XX -0.00000 0.00000 -0.00000 0.00000 0.00000 256 11YY -0.00000 0.00000 -0.00000 0.00000 0.00000 257 11ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 258 11XY -0.00000 0.00000 0.00000 0.00000 0.00000 259 11XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 260 11YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 261 12XX -0.00000 0.00000 0.00000 0.00000 0.00000 262 12YY -0.00000 0.00000 -0.00000 0.00000 0.00000 263 12ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 264 12XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 265 12XZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 266 12YZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 267 29 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 268 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 269 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 270 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 271 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 272 3S 0.00000 0.00000 -0.00000 -0.00000 0.00000 273 3PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 274 3PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 275 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 276 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 277 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 278 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 279 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 280 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 281 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 282 30 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 283 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 284 31 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 285 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 286 32 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 287 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 288 33 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 289 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 290 34 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 291 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 292 35 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 293 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 294 36 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 295 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 296 37 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 297 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 298 38 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 299 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 300 39 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 301 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 302 40 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 303 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 206 207 208 209 210 206 2PX 0.38414 207 2PY -0.00000 0.39430 208 2PZ 0.00000 0.00000 0.40224 209 3S 0.00000 0.00000 0.00000 0.29269 210 3PX 0.09749 -0.00000 0.00000 0.00000 0.08123 211 3PY -0.00000 0.10221 0.00000 0.00000 -0.00000 212 3PZ 0.00000 0.00000 0.10417 0.00000 0.00000 213 4XX 0.00000 0.00000 0.00000 -0.00346 0.00000 214 4YY 0.00000 0.00000 0.00000 -0.00095 0.00000 215 4ZZ 0.00000 0.00000 0.00000 0.00046 0.00000 216 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 217 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 218 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 219 19 H 1S 0.00549 0.03447 0.05642 0.03739 0.00463 220 2S 0.00348 0.02194 0.03672 0.01166 0.00455 221 20 H 1S 0.01669 0.03081 0.04994 0.03566 0.00917 222 2S 0.01049 0.01894 0.03118 0.01149 0.00906 223 21 H 1S -0.00022 -0.00029 -0.00002 -0.00259 -0.00259 224 2S -0.00279 -0.00454 -0.00041 -0.00809 -0.00713 225 22 H 1S -0.00035 -0.00003 -0.00008 -0.00285 -0.00147 226 2S -0.00497 -0.00036 -0.00122 -0.00833 -0.00654 227 23 H 1S -0.00001 -0.00000 -0.00000 -0.00037 -0.00066 228 2S -0.00044 -0.00019 0.00032 -0.00252 -0.00178 229 24 H 1S -0.00008 -0.00018 -0.00025 -0.00257 -0.00125 230 2S -0.00104 -0.00314 -0.00423 -0.00909 -0.00224 231 25 H 1S -0.00005 -0.00000 -0.00001 -0.00089 -0.00056 232 2S -0.00146 0.00083 -0.00038 -0.00364 -0.00249 233 26 H 1S 0.00000 -0.00000 -0.00000 0.00002 0.00007 234 2S 0.00025 0.00001 0.00003 0.00039 0.00090 235 27 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 236 2S -0.00000 0.00000 -0.00000 -0.00002 -0.00005 237 28 Br 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 238 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 239 3S -0.00000 -0.00000 0.00000 0.00000 0.00000 240 4S -0.00000 -0.00000 0.00000 0.00000 0.00000 241 5S 0.00000 -0.00000 -0.00000 0.00000 0.00000 242 6S 0.00000 0.00000 0.00000 0.00001 0.00003 243 7PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 244 7PY -0.00000 0.00000 0.00000 0.00000 -0.00000 245 7PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 246 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 247 8PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 248 8PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 249 9PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 250 9PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 251 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 252 10PX 0.00000 -0.00000 0.00000 -0.00015 0.00002 253 10PY -0.00000 -0.00000 0.00000 0.00001 -0.00000 254 10PZ 0.00000 0.00000 -0.00000 0.00002 0.00002 255 11XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 256 11YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 257 11ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 258 11XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 259 11XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 260 11YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 261 12XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 262 12YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 263 12ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 264 12XY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 265 12XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 266 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 267 29 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 268 2S 0.00000 0.00000 0.00000 0.00000 0.00000 269 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 270 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 271 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 272 3S 0.00000 0.00000 0.00000 0.00000 0.00002 273 3PX -0.00000 -0.00000 -0.00000 0.00001 -0.00000 274 3PY 0.00000 0.00000 0.00000 0.00003 0.00005 275 3PZ -0.00000 -0.00000 -0.00000 -0.00002 -0.00003 276 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 277 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 278 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 279 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 280 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 281 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 282 30 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 283 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 284 31 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 285 2S -0.00000 -0.00000 -0.00000 0.00002 -0.00000 286 32 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 287 2S -0.00000 0.00000 0.00000 -0.00001 -0.00001 288 33 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 289 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00001 290 34 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 291 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 292 35 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 293 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 294 36 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 295 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 296 37 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 297 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 298 38 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 299 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 300 39 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 301 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 302 40 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 303 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 211 212 213 214 215 211 3PY 0.08412 212 3PZ 0.00000 0.08487 213 4XX 0.00000 0.00000 0.00112 214 4YY 0.00000 0.00000 -0.00008 0.00056 215 4ZZ 0.00000 0.00000 -0.00011 0.00009 0.00076 216 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 217 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 218 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 219 19 H 1S 0.02185 0.03533 -0.00094 0.00038 0.00180 220 2S 0.02107 0.03539 -0.00198 0.00091 0.00203 221 20 H 1S 0.02071 0.03305 -0.00090 0.00017 0.00134 222 2S 0.01979 0.03202 -0.00135 0.00057 0.00151 223 21 H 1S -0.00233 0.00017 0.00001 0.00003 -0.00000 224 2S -0.00792 -0.00017 -0.00003 0.00028 -0.00002 225 22 H 1S -0.00043 -0.00012 0.00008 -0.00001 0.00000 226 2S -0.00091 -0.00118 0.00066 -0.00031 0.00003 227 23 H 1S 0.00016 0.00004 -0.00000 -0.00000 0.00000 228 2S 0.00014 0.00098 -0.00006 0.00001 0.00005 229 24 H 1S -0.00106 -0.00194 -0.00002 0.00002 0.00003 230 2S -0.00491 -0.00755 -0.00043 0.00026 0.00045 231 25 H 1S 0.00034 -0.00003 -0.00000 0.00000 -0.00000 232 2S 0.00271 -0.00059 -0.00011 0.00008 0.00003 233 26 H 1S -0.00002 -0.00011 -0.00000 0.00000 -0.00000 234 2S -0.00002 -0.00023 -0.00000 0.00000 -0.00000 235 27 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 236 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 237 28 Br 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 238 2S -0.00000 0.00000 0.00000 0.00000 0.00000 239 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 240 4S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 241 5S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 242 6S -0.00000 0.00001 -0.00000 -0.00000 0.00000 243 7PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 244 7PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 245 7PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 246 8PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 247 8PY 0.00000 -0.00000 0.00000 0.00000 0.00000 248 8PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 249 9PX -0.00000 0.00000 0.00000 0.00000 -0.00000 250 9PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 251 9PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 252 10PX -0.00004 0.00006 0.00000 0.00000 -0.00000 253 10PY -0.00001 0.00000 -0.00000 -0.00000 -0.00000 254 10PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 255 11XX -0.00000 0.00000 0.00000 0.00000 0.00000 256 11YY -0.00000 0.00000 0.00000 0.00000 0.00000 257 11ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 258 11XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 259 11XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 260 11YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 261 12XX -0.00000 -0.00000 0.00000 0.00000 0.00000 262 12YY -0.00000 -0.00000 0.00000 0.00000 0.00000 263 12ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 264 12XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 265 12XZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 266 12YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 267 29 C 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 268 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 269 2PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 270 2PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 271 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 272 3S 0.00003 0.00001 0.00000 -0.00000 -0.00000 273 3PX -0.00002 0.00000 -0.00000 0.00000 0.00000 274 3PY 0.00004 0.00001 0.00000 -0.00000 -0.00000 275 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 276 4XX -0.00000 -0.00000 -0.00000 0.00000 0.00000 277 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 278 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 279 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 280 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 281 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 282 30 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 283 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 284 31 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 285 2S -0.00002 -0.00001 -0.00000 0.00000 0.00000 286 32 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 287 2S 0.00001 -0.00000 0.00000 -0.00000 0.00000 288 33 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 289 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 290 34 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 291 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 292 35 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 293 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 294 36 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 295 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 296 37 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 297 2S -0.00000 0.00000 0.00000 0.00000 0.00000 298 38 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 299 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 300 39 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 301 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 302 40 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 303 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 216 217 218 219 220 216 4XY 0.00104 217 4XZ 0.00000 0.00095 218 4YZ 0.00000 0.00000 0.00181 219 19 H 1S 0.00038 0.00063 0.00376 0.21431 220 2S 0.00009 0.00012 0.00089 0.11173 0.15652 221 20 H 1S 0.00096 0.00140 0.00293 -0.00047 -0.00738 222 2S 0.00021 0.00027 0.00066 -0.00691 -0.02011 223 21 H 1S 0.00005 0.00001 0.00002 0.00000 0.00043 224 2S 0.00015 0.00005 0.00010 0.00039 0.00468 225 22 H 1S -0.00000 0.00004 0.00000 -0.00001 -0.00071 226 2S -0.00006 0.00016 -0.00001 -0.00056 -0.00301 227 23 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00034 228 2S -0.00001 0.00001 -0.00001 0.00050 0.00479 229 24 H 1S 0.00001 0.00002 0.00006 0.00000 0.00043 230 2S -0.00003 0.00001 0.00030 0.00046 0.00516 231 25 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00028 232 2S 0.00003 -0.00001 -0.00001 0.00069 0.00450 233 26 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 234 2S -0.00000 -0.00001 0.00000 0.00001 -0.00002 235 27 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 236 2S 0.00000 0.00000 0.00000 -0.00000 -0.00001 237 28 Br 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 238 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 239 3S 0.00000 -0.00000 0.00000 0.00000 -0.00000 240 4S 0.00000 -0.00000 0.00000 0.00000 -0.00000 241 5S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 242 6S 0.00000 0.00000 0.00000 0.00000 0.00007 243 7PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 244 7PY 0.00000 -0.00000 0.00000 0.00000 0.00000 245 7PZ -0.00000 0.00000 0.00000 0.00000 0.00000 246 8PX -0.00000 0.00000 0.00000 0.00000 -0.00000 247 8PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 248 8PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 249 9PX 0.00000 -0.00000 -0.00000 -0.00000 0.00001 250 9PY 0.00000 0.00000 0.00000 0.00000 -0.00000 251 9PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 252 10PX 0.00000 0.00000 -0.00000 0.00000 0.00030 253 10PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 254 10PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 255 11XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 256 11YY -0.00000 0.00000 -0.00000 -0.00000 0.00000 257 11ZZ -0.00000 0.00000 -0.00000 0.00000 0.00000 258 11XY 0.00000 -0.00000 0.00000 0.00000 0.00000 259 11XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 260 11YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 261 12XX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 262 12YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 263 12ZZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 264 12XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 265 12XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 266 12YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 267 29 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 268 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 269 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 270 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 271 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 272 3S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 273 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 274 3PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 275 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00001 276 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 277 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 278 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 279 4XY -0.00000 0.00000 0.00000 0.00000 0.00000 280 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 281 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 282 30 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 283 2S -0.00000 0.00000 0.00000 0.00000 0.00000 284 31 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 285 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 286 32 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 287 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 288 33 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 289 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 290 34 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 291 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 292 35 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 293 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 294 36 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 295 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 296 37 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 297 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 298 38 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 299 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 300 39 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 301 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 302 40 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 303 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 221 222 223 224 225 221 20 H 1S 0.21415 222 2S 0.10784 0.14263 223 21 H 1S -0.00001 -0.00062 0.21416 224 2S -0.00061 -0.00289 0.11086 0.15175 225 22 H 1S -0.00001 -0.00036 -0.00044 -0.00707 0.21362 226 2S -0.00035 -0.00148 -0.00631 -0.01855 0.10485 227 23 H 1S 0.00000 0.00001 -0.00000 0.00000 -0.00000 228 2S -0.00000 -0.00004 0.00000 0.00017 -0.00000 229 24 H 1S -0.00001 -0.00053 -0.00000 0.00028 0.00000 230 2S -0.00073 -0.00302 0.00051 0.00439 -0.00000 231 25 H 1S -0.00000 0.00003 -0.00000 -0.00000 -0.00000 232 2S 0.00010 0.00104 0.00000 0.00002 -0.00000 233 26 H 1S -0.00000 0.00007 0.00000 0.00000 0.00000 234 2S 0.00004 0.00076 0.00000 0.00001 0.00000 235 27 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 236 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 237 28 Br 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 238 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 239 3S -0.00000 -0.00000 0.00000 0.00000 0.00000 240 4S -0.00000 -0.00000 0.00000 0.00000 0.00000 241 5S 0.00000 0.00000 0.00000 -0.00000 0.00000 242 6S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 243 7PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 244 7PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 245 7PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 246 8PX -0.00000 -0.00000 0.00000 0.00000 0.00000 247 8PY -0.00000 0.00000 0.00000 0.00000 0.00000 248 8PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 249 9PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 250 9PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 251 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 252 10PX -0.00000 0.00001 0.00000 -0.00000 -0.00000 253 10PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 254 10PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 255 11XX 0.00000 0.00000 0.00000 -0.00000 0.00000 256 11YY 0.00000 0.00000 0.00000 -0.00000 0.00000 257 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 11XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 259 11XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 260 11YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 261 12XX 0.00000 0.00000 0.00000 0.00000 -0.00000 262 12YY 0.00000 0.00000 0.00000 -0.00000 0.00000 263 12ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 264 12XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 265 12XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 266 12YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 267 29 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 268 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 269 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 270 2PY -0.00000 0.00000 -0.00000 0.00000 0.00000 271 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 272 3S 0.00000 0.00000 -0.00000 -0.00001 0.00000 273 3PX 0.00000 0.00000 -0.00000 -0.00001 0.00000 274 3PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 275 3PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 276 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 277 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 278 4ZZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 279 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 280 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 281 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 282 30 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 283 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 284 31 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 285 2S 0.00000 0.00001 -0.00000 -0.00000 -0.00000 286 32 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 287 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 288 33 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 289 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 290 34 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 291 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 292 35 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 293 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 294 36 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 295 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 296 37 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 297 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 298 38 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 299 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 300 39 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 301 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 302 40 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 303 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 226 227 228 229 230 226 2S 0.13301 227 23 H 1S -0.00000 0.21778 228 2S -0.00004 0.11140 0.16267 229 24 H 1S 0.00001 0.00000 0.00046 0.21784 230 2S -0.00006 0.00047 0.00546 0.11221 0.15973 231 25 H 1S -0.00000 0.00000 0.00004 0.00000 0.00032 232 2S -0.00002 0.00004 0.00071 0.00044 0.00381 233 26 H 1S 0.00000 -0.00000 -0.00000 -0.00004 -0.00136 234 2S 0.00000 -0.00000 -0.00006 -0.00153 -0.00534 235 27 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 236 2S -0.00000 -0.00000 -0.00004 -0.00000 -0.00018 237 28 Br 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 238 2S -0.00000 -0.00000 0.00005 -0.00000 -0.00000 239 3S -0.00000 0.00000 -0.00010 0.00000 0.00000 240 4S 0.00000 0.00000 -0.00031 0.00000 0.00000 241 5S 0.00000 -0.00002 -0.00077 -0.00000 -0.00000 242 6S 0.00000 0.00064 0.00302 0.00000 0.00002 243 7PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 244 7PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 245 7PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 246 8PX 0.00000 0.00000 -0.00000 0.00000 0.00000 247 8PY 0.00000 0.00000 -0.00001 -0.00000 -0.00000 248 8PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 249 9PX -0.00000 -0.00004 0.00032 -0.00000 -0.00000 250 9PY -0.00000 -0.00000 0.00048 0.00000 -0.00000 251 9PZ -0.00000 -0.00000 0.00005 -0.00000 -0.00000 252 10PX -0.00000 -0.00089 0.00147 -0.00000 -0.00010 253 10PY -0.00000 0.00028 0.00273 0.00000 -0.00000 254 10PZ -0.00000 -0.00013 0.00002 -0.00000 -0.00001 255 11XX -0.00000 -0.00000 0.00013 -0.00000 -0.00000 256 11YY -0.00000 -0.00000 0.00014 -0.00000 -0.00000 257 11ZZ 0.00000 -0.00000 0.00012 -0.00000 -0.00000 258 11XY 0.00000 -0.00000 -0.00002 -0.00000 -0.00000 259 11XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 260 11YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 261 12XX -0.00000 -0.00005 0.00037 -0.00000 -0.00000 262 12YY 0.00000 -0.00007 -0.00011 -0.00000 -0.00000 263 12ZZ 0.00000 -0.00001 -0.00012 -0.00000 -0.00000 264 12XY 0.00000 0.00010 0.00046 0.00000 0.00000 265 12XZ 0.00000 0.00000 0.00001 0.00000 0.00000 266 12YZ 0.00000 0.00000 0.00002 -0.00000 -0.00000 267 29 C 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 268 2S 0.00000 0.00000 0.00005 -0.00000 0.00000 269 2PX 0.00000 0.00000 0.00001 -0.00000 0.00009 270 2PY 0.00000 0.00000 0.00010 -0.00000 0.00008 271 2PZ 0.00000 0.00000 0.00021 -0.00000 -0.00002 272 3S 0.00000 0.00007 0.00119 -0.00003 0.00080 273 3PX 0.00000 -0.00001 0.00000 0.00021 0.00147 274 3PY 0.00000 0.00008 0.00117 -0.00000 0.00095 275 3PZ 0.00000 0.00015 0.00211 -0.00006 -0.00022 276 4XX -0.00000 -0.00000 -0.00000 0.00000 0.00000 277 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 278 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 279 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 280 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 281 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 282 30 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 283 2S 0.00000 -0.00000 -0.00011 0.00001 0.00002 284 31 H 1S -0.00000 -0.00000 -0.00000 -0.00001 0.00009 285 2S -0.00000 0.00000 -0.00005 0.00021 0.00185 286 32 H 1S -0.00000 0.00000 0.00001 -0.00000 0.00003 287 2S -0.00000 0.00001 0.00014 -0.00002 0.00010 288 33 H 1S -0.00000 -0.00000 0.00047 -0.00000 -0.00000 289 2S -0.00000 0.00045 0.00425 0.00000 0.00000 290 34 H 1S 0.00000 0.00000 -0.00002 -0.00000 -0.00000 291 2S -0.00000 0.00000 -0.00019 -0.00000 -0.00000 292 35 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 293 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 294 36 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 295 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 296 37 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 297 2S -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 298 38 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 299 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 300 39 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 301 2S -0.00000 -0.00000 -0.00002 -0.00000 -0.00000 302 40 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 303 2S -0.00000 0.00000 0.00001 0.00000 0.00000 231 232 233 234 235 231 25 H 1S 0.21082 232 2S 0.09286 0.11251 233 26 H 1S -0.00036 -0.00529 0.21110 234 2S -0.00602 -0.01389 0.09659 0.11748 235 27 H 1S -0.00000 -0.00007 -0.00002 -0.00070 0.21250 236 2S -0.00003 -0.00005 -0.00069 -0.00207 0.08551 237 28 Br 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 238 2S -0.00000 0.00001 0.00000 0.00000 -0.00000 239 3S 0.00000 -0.00001 -0.00000 -0.00000 0.00000 240 4S 0.00000 -0.00005 -0.00000 -0.00000 0.00000 241 5S -0.00000 -0.00020 0.00000 0.00002 -0.00004 242 6S 0.00004 0.00037 0.00000 0.00002 -0.00022 243 7PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 244 7PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 245 7PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 246 8PX 0.00000 0.00002 -0.00000 -0.00000 0.00000 247 8PY -0.00000 -0.00001 0.00000 0.00000 0.00000 248 8PZ 0.00000 0.00003 -0.00000 -0.00000 0.00000 249 9PX -0.00001 -0.00049 0.00000 0.00011 -0.00000 250 9PY 0.00000 0.00025 -0.00000 -0.00000 -0.00001 251 9PZ -0.00001 -0.00075 0.00000 0.00012 -0.00028 252 10PX -0.00070 -0.00195 0.00008 0.00146 -0.00008 253 10PY 0.00006 0.00126 -0.00000 -0.00002 -0.00023 254 10PZ -0.00095 -0.00366 0.00017 0.00160 -0.00499 255 11XX -0.00000 0.00003 0.00000 0.00000 -0.00000 256 11YY -0.00000 0.00002 0.00000 0.00000 -0.00000 257 11ZZ -0.00000 0.00002 0.00000 0.00000 -0.00000 258 11XY -0.00000 -0.00000 0.00000 -0.00000 0.00000 259 11XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 260 11YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 261 12XX -0.00001 0.00005 -0.00000 0.00000 -0.00001 262 12YY -0.00000 -0.00003 0.00000 0.00001 -0.00001 263 12ZZ -0.00002 -0.00014 0.00000 0.00007 0.00008 264 12XY 0.00000 0.00002 0.00000 0.00000 -0.00000 265 12XZ -0.00000 -0.00004 -0.00000 -0.00000 0.00001 266 12YZ 0.00000 0.00002 0.00000 0.00000 0.00003 267 29 C 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 268 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 269 2PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 270 2PY 0.00000 0.00000 -0.00000 0.00001 -0.00000 271 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 272 3S 0.00000 -0.00000 0.00000 0.00003 -0.00000 273 3PX 0.00000 0.00001 -0.00000 -0.00003 -0.00000 274 3PY 0.00000 -0.00001 0.00000 0.00013 -0.00000 275 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 276 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 277 4YY -0.00000 0.00000 -0.00000 -0.00000 0.00000 278 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 279 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 280 4XZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 281 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 282 30 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 283 2S 0.00000 0.00000 -0.00000 -0.00001 0.00000 284 31 H 1S 0.00000 0.00000 -0.00000 0.00003 -0.00000 285 2S -0.00000 0.00002 0.00002 0.00036 -0.00000 286 32 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 287 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 288 33 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 289 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 290 34 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 291 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 292 35 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 293 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 294 36 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 295 2S 0.00000 0.00000 0.00000 0.00000 0.00000 296 37 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 297 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 298 38 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 299 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 300 39 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 301 2S 0.00000 -0.00000 0.00000 0.00001 0.00000 302 40 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 303 2S -0.00000 -0.00000 -0.00000 -0.00002 0.00028 236 237 238 239 240 236 2S 0.09794 237 28 Br 1S -0.00000 2.39661 238 2S -0.00000 -0.50359 4.74943 239 3S 0.00001 0.07210 -1.87867 2.00569 240 4S 0.00003 0.06078 -1.79638 2.63722 4.49720 241 5S -0.00042 0.00384 -0.09545 0.04376 -0.01560 242 6S 0.00064 0.00205 -0.05724 0.05985 0.11001 243 7PX -0.00000 0.00000 0.00000 0.00000 0.00000 244 7PY -0.00000 0.00000 0.00000 0.00000 0.00000 245 7PZ -0.00000 0.00000 0.00000 0.00000 0.00000 246 8PX 0.00001 0.00000 0.00000 0.00000 0.00000 247 8PY 0.00001 0.00000 0.00000 0.00000 0.00000 248 8PZ 0.00024 0.00000 0.00000 0.00000 0.00000 249 9PX -0.00011 0.00000 0.00000 0.00000 0.00000 250 9PY -0.00021 0.00000 0.00000 0.00000 0.00000 251 9PZ -0.00512 0.00000 0.00000 0.00000 0.00000 252 10PX -0.00042 0.00000 0.00000 0.00000 0.00000 253 10PY -0.00074 0.00000 0.00000 0.00000 0.00000 254 10PZ -0.01498 0.00000 0.00000 0.00000 0.00000 255 11XX -0.00001 -0.00967 0.58806 -0.72364 -1.22786 256 11YY -0.00000 -0.00967 0.58811 -0.72413 -1.22750 257 11ZZ 0.00000 -0.00967 0.58818 -0.72481 -1.22708 258 11XY 0.00000 0.00000 -0.00000 0.00000 0.00000 259 11XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 260 11YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 261 12XX -0.00013 -0.00001 0.00168 -0.00936 -0.04836 262 12YY -0.00005 -0.00001 0.00169 -0.00950 -0.04919 263 12ZZ -0.00053 -0.00001 0.00170 -0.00965 -0.05021 264 12XY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 265 12XZ 0.00005 -0.00000 0.00000 -0.00000 -0.00000 266 12YZ 0.00010 0.00000 -0.00000 0.00000 0.00000 267 29 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 268 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 269 2PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 270 2PY -0.00001 -0.00000 0.00000 -0.00000 -0.00000 271 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 272 3S -0.00004 -0.00000 0.00000 -0.00000 -0.00000 273 3PX -0.00001 -0.00000 0.00000 -0.00000 -0.00000 274 3PY -0.00017 -0.00000 0.00000 -0.00000 -0.00000 275 3PZ 0.00001 -0.00000 0.00000 -0.00000 -0.00000 276 4XX 0.00000 0.00000 -0.00000 0.00000 0.00000 277 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 278 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 279 4XY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 280 4XZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 281 4YZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 282 30 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 283 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 284 31 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 285 2S -0.00010 -0.00000 0.00000 -0.00000 -0.00000 286 32 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 287 2S 0.00001 0.00000 -0.00000 0.00000 0.00000 288 33 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 289 2S -0.00000 -0.00000 0.00000 -0.00001 -0.00002 290 34 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 291 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 292 35 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 293 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 294 36 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 295 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 296 37 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 297 2S -0.00001 -0.00000 0.00001 -0.00002 -0.00008 298 38 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 299 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 300 39 H 1S 0.00001 -0.00000 0.00000 -0.00000 -0.00000 301 2S -0.00001 -0.00000 0.00000 -0.00000 -0.00000 302 40 H 1S 0.00071 0.00000 -0.00000 0.00000 0.00000 303 2S 0.00361 -0.00000 0.00000 -0.00001 -0.00003 241 242 243 244 245 241 5S 1.04230 242 6S 0.58857 0.55200 243 7PX 0.00000 0.00000 2.30636 244 7PY 0.00000 0.00000 0.00000 2.30322 245 7PZ 0.00000 0.00000 -0.00000 0.00000 2.29884 246 8PX 0.00000 0.00000 -0.31215 -0.00000 0.00000 247 8PY 0.00000 0.00000 -0.00000 -0.30873 -0.00000 248 8PZ 0.00000 0.00000 0.00000 -0.00000 -0.30391 249 9PX 0.00000 0.00000 0.00218 0.00000 -0.00000 250 9PY 0.00000 0.00000 0.00000 0.00166 0.00000 251 9PZ 0.00000 0.00000 -0.00000 0.00000 0.00094 252 10PX 0.00000 0.00000 0.00090 -0.00000 -0.00000 253 10PY 0.00000 0.00000 -0.00000 0.00081 0.00000 254 10PZ 0.00000 0.00000 -0.00000 0.00000 0.00061 255 11XX -0.09045 -0.08557 0.00000 0.00000 0.00000 256 11YY -0.09309 -0.08194 0.00000 0.00000 0.00000 257 11ZZ -0.09708 -0.07475 0.00000 0.00000 0.00000 258 11XY 0.00000 -0.00000 0.00000 0.00000 0.00000 259 11XZ -0.00000 0.00000 0.00000 0.00000 0.00000 260 11YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 261 12XX -0.02411 -0.05153 0.00000 0.00000 0.00000 262 12YY -0.01941 -0.05046 0.00000 0.00000 0.00000 263 12ZZ -0.01175 -0.05374 0.00000 0.00000 0.00000 264 12XY -0.00000 0.00000 0.00000 0.00000 0.00000 265 12XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 266 12YZ -0.00000 0.00000 0.00000 0.00000 0.00000 267 29 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 268 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 269 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 270 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 271 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 272 3S -0.00000 0.00002 0.00000 0.00000 0.00000 273 3PX 0.00000 0.00001 -0.00000 0.00000 0.00000 274 3PY 0.00000 0.00008 0.00000 0.00000 0.00000 275 3PZ -0.00000 0.00001 0.00000 0.00000 0.00000 276 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 277 4YY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 278 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 279 4XY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 280 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 281 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 282 30 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 283 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 284 31 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 285 2S -0.00000 0.00001 0.00000 -0.00000 -0.00000 286 32 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 287 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 288 33 H 1S -0.00000 0.00008 0.00000 0.00000 -0.00000 289 2S -0.00008 0.00084 0.00000 -0.00000 -0.00000 290 34 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 291 2S 0.00000 -0.00001 -0.00000 0.00000 0.00000 292 35 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 293 2S -0.00000 0.00001 -0.00000 0.00000 0.00000 294 36 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 295 2S 0.00000 -0.00001 0.00000 -0.00000 0.00000 296 37 H 1S -0.00000 0.00019 -0.00000 0.00000 -0.00000 297 2S -0.00014 0.00144 -0.00000 -0.00000 -0.00000 298 38 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 299 2S 0.00000 -0.00002 0.00000 0.00000 -0.00000 300 39 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 301 2S 0.00001 0.00005 0.00000 0.00000 0.00000 302 40 H 1S -0.00000 0.00005 -0.00000 -0.00000 0.00000 303 2S -0.00006 0.00018 0.00000 0.00000 -0.00000 246 247 248 249 250 246 8PX 2.48457 247 8PY 0.00000 2.45580 248 8PZ -0.00000 0.00000 2.41466 249 9PX -0.13753 -0.00000 0.00000 0.78603 250 9PY -0.00000 -0.11759 -0.00000 0.00000 0.68763 251 9PZ 0.00000 -0.00000 -0.08938 -0.00000 0.00000 252 10PX -0.04006 0.00000 0.00000 0.41055 -0.00000 253 10PY -0.00000 -0.03452 -0.00000 0.00000 0.34867 254 10PZ 0.00000 -0.00000 -0.02444 -0.00000 0.00000 255 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 256 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 257 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 258 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 259 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 261 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 262 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 263 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 264 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 265 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 267 29 C 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 268 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 269 2PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 270 2PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 271 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 272 3S -0.00000 -0.00000 -0.00000 0.00000 0.00001 273 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 274 3PY -0.00000 -0.00000 -0.00000 0.00000 0.00005 275 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00002 276 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 277 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 278 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 279 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 280 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 281 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 282 30 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 283 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 284 31 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 285 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 286 32 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 287 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 288 33 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 289 2S -0.00000 -0.00001 0.00000 0.00001 0.00039 290 34 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 291 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 292 35 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 293 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 294 36 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 295 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 296 37 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 297 2S -0.00001 -0.00001 0.00000 0.00045 0.00034 298 38 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 299 2S -0.00000 -0.00000 0.00000 0.00000 0.00001 300 39 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 301 2S -0.00000 -0.00000 -0.00000 0.00004 0.00008 302 40 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00000 303 2S -0.00001 0.00000 -0.00000 0.00022 -0.00014 251 252 253 254 255 251 9PZ 0.54884 252 10PX -0.00000 0.49506 253 10PY 0.00000 -0.00000 0.41158 254 10PZ 0.24097 -0.00000 0.00000 0.25126 255 11XX 0.00000 0.00000 0.00000 0.00000 2.70548 256 11YY 0.00000 0.00000 0.00000 0.00000 -0.08952 257 11ZZ 0.00000 0.00000 0.00000 0.00000 -0.08937 258 11XY 0.00000 0.00000 0.00000 0.00000 -0.00000 259 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 260 11YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 261 12XX 0.00000 0.00000 0.00000 0.00000 0.05145 262 12YY 0.00000 0.00000 0.00000 0.00000 0.01319 263 12ZZ 0.00000 0.00000 0.00000 0.00000 0.01327 264 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 265 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 266 12YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 267 29 C 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 268 2S 0.00000 0.00000 0.00001 0.00000 -0.00000 269 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 270 2PY 0.00000 0.00000 0.00006 0.00002 0.00000 271 2PZ 0.00000 -0.00000 0.00003 0.00000 0.00000 272 3S 0.00000 0.00003 0.00051 0.00004 0.00000 273 3PX 0.00000 0.00000 0.00009 0.00000 0.00000 274 3PY 0.00001 0.00003 0.00107 0.00024 0.00000 275 3PZ 0.00000 0.00000 0.00039 0.00002 0.00000 276 4XX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 277 4YY -0.00000 0.00000 -0.00000 -0.00000 0.00000 278 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 279 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 280 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 281 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 282 30 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 283 2S -0.00000 0.00000 -0.00002 -0.00002 -0.00000 284 31 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 285 2S -0.00000 0.00001 -0.00003 0.00001 0.00000 286 32 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 287 2S -0.00000 -0.00000 -0.00003 -0.00000 -0.00000 288 33 H 1S -0.00000 0.00000 0.00009 -0.00007 -0.00000 289 2S 0.00001 0.00004 0.00320 -0.00002 0.00001 290 34 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 291 2S 0.00000 -0.00001 0.00011 0.00000 0.00000 292 35 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 293 2S 0.00000 -0.00000 0.00002 0.00001 -0.00000 294 36 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 295 2S 0.00000 -0.00000 -0.00006 0.00001 -0.00000 296 37 H 1S -0.00000 -0.00008 0.00019 -0.00004 -0.00000 297 2S -0.00002 0.00262 0.00263 -0.00014 0.00003 298 38 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 299 2S -0.00000 0.00004 0.00013 -0.00000 0.00000 300 39 H 1S 0.00000 0.00002 0.00009 0.00004 0.00000 301 2S 0.00004 0.00061 0.00123 0.00059 0.00000 302 40 H 1S -0.00000 -0.00042 -0.00019 -0.00010 -0.00000 303 2S 0.00004 0.00104 -0.00075 0.00038 0.00001 256 257 258 259 260 256 11YY 2.70580 257 11ZZ -0.08921 2.70633 258 11XY -0.00000 -0.00000 1.98276 259 11XZ 0.00000 0.00000 0.00000 1.98264 260 11YZ -0.00000 -0.00000 -0.00000 -0.00000 1.98250 261 12XX 0.01286 0.01252 0.00000 -0.00000 0.00000 262 12YY 0.05141 0.01262 0.00000 -0.00000 0.00000 263 12ZZ 0.01305 0.05112 0.00000 -0.00000 0.00000 264 12XY 0.00000 0.00000 0.00822 -0.00000 0.00000 265 12XZ 0.00000 0.00000 -0.00000 0.00833 -0.00000 266 12YZ -0.00000 -0.00000 0.00000 -0.00000 0.00845 267 29 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 268 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 269 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 270 2PY 0.00000 0.00000 0.00000 -0.00000 0.00000 271 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 272 3S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 273 3PX 0.00000 0.00000 0.00000 0.00000 -0.00000 274 3PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 275 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 276 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 277 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 278 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 279 4XY -0.00000 0.00000 -0.00000 -0.00000 0.00000 280 4XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 281 4YZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 282 30 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 283 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 284 31 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 285 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 286 32 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 287 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 288 33 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 289 2S 0.00001 0.00001 0.00000 0.00000 -0.00000 290 34 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 291 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 292 35 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 293 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 294 36 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 295 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 296 37 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 297 2S 0.00003 0.00003 -0.00000 -0.00000 -0.00000 298 38 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 299 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 300 39 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 301 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 302 40 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 303 2S 0.00001 0.00001 0.00000 -0.00000 0.00000 261 262 263 264 265 261 12XX 0.06865 262 12YY 0.02232 0.07147 263 12ZZ 0.02235 0.02301 0.07943 264 12XY 0.00000 0.00000 -0.00000 0.00178 265 12XZ 0.00000 0.00000 0.00000 -0.00000 0.00334 266 12YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 267 29 C 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 268 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 269 2PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 270 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 271 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 272 3S -0.00000 0.00000 0.00000 0.00000 0.00000 273 3PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 274 3PY 0.00000 -0.00000 0.00001 0.00000 0.00000 275 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 276 4XX -0.00000 0.00000 -0.00000 0.00000 -0.00000 277 4YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 278 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 279 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 280 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 281 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 282 30 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 283 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 284 31 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 285 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 286 32 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 287 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 288 33 H 1S -0.00000 -0.00001 -0.00000 -0.00000 0.00000 289 2S -0.00002 0.00002 -0.00002 -0.00000 0.00000 290 34 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 291 2S 0.00000 0.00000 0.00000 0.00000 0.00000 292 35 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 293 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 294 36 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 295 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 296 37 H 1S -0.00001 -0.00001 -0.00000 0.00001 0.00000 297 2S 0.00000 0.00004 -0.00000 0.00011 0.00001 298 38 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 299 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 300 39 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 301 2S -0.00000 0.00001 0.00003 -0.00001 -0.00001 302 40 H 1S 0.00000 -0.00000 -0.00002 0.00000 0.00001 303 2S 0.00010 -0.00003 -0.00010 -0.00000 0.00011 266 267 268 269 270 266 12YZ 0.00525 267 29 C 1S -0.00000 2.05180 268 2S 0.00000 -0.01164 0.29822 269 2PX 0.00000 0.00000 0.00000 0.41852 270 2PY 0.00000 0.00000 0.00000 0.00000 0.39032 271 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 272 3S 0.00000 -0.03520 0.24305 0.00000 0.00000 273 3PX 0.00000 0.00000 0.00000 0.11858 -0.00000 274 3PY 0.00001 0.00000 0.00000 -0.00000 0.11054 275 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 276 4XX -0.00000 -0.00148 0.00048 0.00000 0.00000 277 4YY -0.00000 -0.00140 -0.00096 0.00000 0.00000 278 4ZZ 0.00000 -0.00134 -0.00231 0.00000 0.00000 279 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 280 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 281 4YZ -0.00000 -0.00000 0.00000 0.00000 0.00000 282 30 H 1S 0.00000 -0.00179 0.02840 0.07329 0.02039 283 2S 0.00000 -0.00043 0.00917 0.04066 0.01184 284 31 H 1S 0.00000 -0.00173 0.02769 0.00981 0.02775 285 2S 0.00000 -0.00051 0.00954 0.00587 0.01641 286 32 H 1S -0.00000 -0.00178 0.02926 0.04643 0.04683 287 2S -0.00000 -0.00066 0.01237 0.02362 0.02447 288 33 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 289 2S 0.00005 -0.00000 0.00007 0.00001 0.00001 290 34 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 291 2S 0.00000 0.00001 -0.00023 -0.00002 0.00023 292 35 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 293 2S -0.00000 -0.00000 0.00001 -0.00004 0.00002 294 36 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 295 2S -0.00000 -0.00000 0.00000 0.00001 0.00000 296 37 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 297 2S 0.00001 0.00000 -0.00000 -0.00000 0.00000 298 38 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 299 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 300 39 H 1S 0.00000 0.00000 -0.00000 -0.00001 -0.00000 301 2S 0.00001 0.00000 -0.00009 0.00007 -0.00004 302 40 H 1S -0.00001 -0.00000 0.00000 0.00000 0.00000 303 2S -0.00007 -0.00000 0.00000 0.00001 -0.00000 271 272 273 274 275 271 2PZ 0.38292 272 3S 0.00000 0.33023 273 3PX -0.00000 0.00000 0.10549 274 3PY 0.00000 0.00000 -0.00000 0.10271 275 3PZ 0.09953 0.00000 -0.00000 0.00000 0.08533 276 4XX 0.00000 0.00091 0.00000 0.00000 0.00000 277 4YY 0.00000 -0.00032 0.00000 0.00000 0.00000 278 4ZZ 0.00000 -0.00157 0.00000 0.00000 0.00000 279 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 280 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 281 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 282 30 H 1S 0.00530 0.03920 0.05050 0.01162 0.00338 283 2S 0.00311 0.01130 0.04278 0.01073 0.00300 284 31 H 1S 0.06051 0.03760 0.00567 0.02021 0.03815 285 2S 0.03553 0.00983 0.00563 0.01790 0.03486 286 32 H 1S 0.00449 0.03881 0.03338 0.03350 0.00319 287 2S 0.00216 0.01384 0.02675 0.02700 0.00238 288 33 H 1S 0.00000 0.00008 0.00000 0.00002 0.00019 289 2S 0.00031 0.00140 0.00007 0.00024 0.00267 290 34 H 1S -0.00002 -0.00047 0.00004 0.00010 -0.00084 291 2S -0.00074 -0.00237 0.00006 0.00082 -0.00313 292 35 H 1S 0.00000 -0.00006 -0.00039 -0.00012 0.00028 293 2S 0.00015 0.00051 -0.00057 -0.00031 0.00159 294 36 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 295 2S 0.00000 0.00005 0.00014 0.00001 -0.00008 296 37 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 297 2S 0.00000 -0.00001 -0.00002 0.00002 0.00005 298 38 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 299 2S -0.00000 0.00001 -0.00003 -0.00000 -0.00001 300 39 H 1S 0.00000 -0.00015 -0.00026 0.00013 -0.00000 301 2S 0.00005 -0.00010 0.00091 0.00065 0.00008 302 40 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 303 2S -0.00000 0.00001 0.00015 -0.00010 -0.00000 276 277 278 279 280 276 4XX 0.00099 277 4YY 0.00005 0.00048 278 4ZZ -0.00017 -0.00002 0.00109 279 4XY 0.00000 -0.00000 0.00000 0.00142 280 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00061 281 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 282 30 H 1S 0.00369 -0.00057 -0.00094 0.00247 0.00077 283 2S 0.00321 -0.00078 -0.00186 0.00048 0.00016 284 31 H 1S -0.00082 -0.00020 0.00235 0.00041 0.00100 285 2S -0.00174 -0.00049 0.00281 0.00008 0.00022 286 32 H 1S 0.00104 0.00117 -0.00087 0.00361 0.00028 287 2S 0.00106 0.00132 -0.00181 0.00065 0.00004 288 33 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 289 2S -0.00000 0.00000 -0.00002 0.00000 -0.00000 290 34 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 291 2S 0.00001 0.00003 -0.00007 -0.00000 -0.00000 292 35 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 293 2S 0.00001 0.00000 -0.00001 -0.00000 -0.00000 294 36 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 295 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 296 37 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 297 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 298 38 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 299 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 300 39 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 301 2S 0.00002 -0.00001 -0.00000 -0.00000 -0.00000 302 40 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 303 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 281 282 283 284 285 281 4YZ 0.00119 282 30 H 1S 0.00019 0.21245 283 2S 0.00005 0.09671 0.11799 284 31 H 1S 0.00296 -0.00046 -0.00620 0.21194 285 2S 0.00057 -0.00658 -0.01608 0.10074 0.12661 286 32 H 1S 0.00032 -0.00041 -0.00553 -0.00039 -0.00586 287 2S 0.00005 -0.00479 -0.01158 -0.00489 -0.01308 288 33 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 289 2S 0.00000 0.00000 0.00006 -0.00000 -0.00014 290 34 H 1S 0.00000 -0.00000 -0.00002 0.00000 0.00001 291 2S 0.00002 0.00002 -0.00006 0.00000 0.00001 292 35 H 1S 0.00000 -0.00001 0.00070 0.00000 0.00000 293 2S -0.00000 0.00027 0.00354 -0.00000 -0.00008 294 36 H 1S -0.00000 0.00000 -0.00001 0.00000 0.00000 295 2S -0.00000 0.00000 -0.00012 0.00000 0.00000 296 37 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 297 2S 0.00000 -0.00000 0.00001 -0.00000 0.00000 298 38 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 299 2S -0.00000 -0.00000 -0.00001 0.00000 -0.00000 300 39 H 1S 0.00000 -0.00001 0.00015 -0.00000 0.00002 301 2S 0.00000 0.00036 0.00219 0.00005 0.00041 302 40 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 303 2S 0.00000 0.00001 0.00002 -0.00000 -0.00003 286 287 288 289 290 286 32 H 1S 0.20943 287 2S 0.08838 0.09865 288 33 H 1S 0.00000 0.00000 0.21401 289 2S 0.00001 0.00004 0.10590 0.14068 290 34 H 1S -0.00000 0.00027 -0.00044 -0.00671 0.21428 291 2S 0.00030 0.00265 -0.00622 -0.01706 0.09979 292 35 H 1S 0.00000 0.00002 0.00000 0.00039 -0.00001 293 2S 0.00002 0.00021 0.00039 0.00418 -0.00067 294 36 H 1S -0.00000 -0.00000 -0.00001 -0.00076 -0.00001 295 2S -0.00000 -0.00002 -0.00067 -0.00309 -0.00032 296 37 H 1S 0.00000 0.00000 -0.00000 0.00024 0.00000 297 2S 0.00000 0.00000 0.00023 0.00278 -0.00000 298 38 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 299 2S 0.00000 0.00000 0.00000 -0.00005 -0.00000 300 39 H 1S 0.00000 0.00001 -0.00000 0.00000 -0.00000 301 2S -0.00000 0.00007 0.00000 0.00004 -0.00000 302 40 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 303 2S -0.00000 0.00000 -0.00000 -0.00001 0.00000 291 292 293 294 295 291 2S 0.12348 292 35 H 1S -0.00068 0.21462 293 2S -0.00289 0.10633 0.13961 294 36 H 1S -0.00032 -0.00043 -0.00675 0.21248 295 2S -0.00119 -0.00587 -0.01687 0.09948 0.12025 296 37 H 1S 0.00000 0.00000 0.00038 -0.00001 -0.00064 297 2S -0.00005 0.00040 0.00414 -0.00071 -0.00308 298 38 H 1S -0.00000 -0.00001 -0.00065 -0.00000 -0.00030 299 2S -0.00011 -0.00064 -0.00284 -0.00027 -0.00119 300 39 H 1S -0.00000 -0.00000 0.00013 0.00000 0.00000 301 2S -0.00002 0.00021 0.00201 0.00000 0.00000 302 40 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 303 2S 0.00001 0.00000 -0.00002 -0.00000 -0.00012 296 297 298 299 300 296 37 H 1S 0.21313 297 2S 0.10312 0.13400 298 38 H 1S -0.00044 -0.00658 0.21273 299 2S -0.00584 -0.01621 0.09822 0.11742 300 39 H 1S 0.00000 0.00035 -0.00001 -0.00069 0.20908 301 2S 0.00039 0.00388 -0.00080 -0.00323 0.09321 302 40 H 1S -0.00001 -0.00057 -0.00000 -0.00025 -0.00040 303 2S -0.00067 -0.00253 -0.00023 -0.00076 -0.00549 301 302 303 301 2S 0.11404 302 40 H 1S -0.00593 0.21280 303 2S -0.01372 0.09567 0.11494 Gross orbital populations: 1 1 1 C 1S 1.99223 2 2S 0.68139 3 2PX 0.67111 4 2PY 0.73978 5 2PZ 0.71646 6 3S 0.61616 7 3PX 0.22815 8 3PY 0.34127 9 3PZ 0.32487 10 4XX -0.00110 11 4YY 0.00363 12 4ZZ 0.00228 13 4XY 0.00821 14 4XZ 0.00424 15 4YZ 0.00916 16 2 C 1S 1.99216 17 2S 0.67941 18 2PX 0.71913 19 2PY 0.70168 20 2PZ 0.68604 21 3S 0.61154 22 3PX 0.30829 23 3PY 0.27250 24 3PZ 0.27872 25 4XX 0.00542 26 4YY -0.00372 27 4ZZ -0.00116 28 4XY 0.00711 29 4XZ 0.00524 30 4YZ 0.01267 31 3 C 1S 1.99216 32 2S 0.67657 33 2PX 0.68320 34 2PY 0.70183 35 2PZ 0.72812 36 3S 0.60935 37 3PX 0.24921 38 3PY 0.27282 39 3PZ 0.35292 40 4XX -0.00370 41 4YY -0.00139 42 4ZZ 0.00450 43 4XY 0.00809 44 4XZ 0.00575 45 4YZ 0.01227 46 4 C 1S 1.99225 47 2S 0.67858 48 2PX 0.70267 49 2PY 0.71503 50 2PZ 0.68622 51 3S 0.61608 52 3PX 0.26716 53 3PY 0.32245 54 3PZ 0.28215 55 4XX -0.00248 56 4YY 0.00177 57 4ZZ 0.00055 58 4XY 0.00988 59 4XZ 0.00576 60 4YZ 0.00992 61 5 C 1S 1.99302 62 2S 0.68228 63 2PX 0.70002 64 2PY 0.67363 65 2PZ 0.68619 66 3S 0.57083 67 3PX 0.22102 68 3PY 0.19058 69 3PZ 0.23532 70 4XX -0.00318 71 4YY -0.00628 72 4ZZ -0.00209 73 4XY 0.01263 74 4XZ 0.00869 75 4YZ 0.00977 76 6 C 1S 1.99297 77 2S 0.75262 78 2PX 0.79147 79 2PY 0.68695 80 2PZ 0.42891 81 3S 0.58275 82 3PX 0.18918 83 3PY 0.15460 84 3PZ 0.25266 85 4XX 0.00009 86 4YY -0.00041 87 4ZZ -0.02102 88 4XY 0.01287 89 4XZ 0.00658 90 4YZ 0.01064 91 7 C 1S 1.99274 92 2S 0.71851 93 2PX 0.78370 94 2PY 0.69762 95 2PZ 0.51257 96 3S 0.65394 97 3PX 0.28332 98 3PY 0.22716 99 3PZ 0.26693 100 4XX 0.00224 101 4YY -0.00317 102 4ZZ -0.00498 103 4XY 0.01221 104 4XZ 0.01054 105 4YZ 0.00649 106 8 C 1S 1.99220 107 2S 0.68168 108 2PX 0.66344 109 2PY 0.73110 110 2PZ 0.72731 111 3S 0.60283 112 3PX 0.20090 113 3PY 0.33708 114 3PZ 0.35130 115 4XX -0.00147 116 4YY 0.00541 117 4ZZ 0.00788 118 4XY 0.00628 119 4XZ 0.00381 120 4YZ 0.00471 121 9 C 1S 1.99258 122 2S 0.67997 123 2PX 0.69305 124 2PY 0.68725 125 2PZ 0.70377 126 3S 0.56521 127 3PX 0.24395 128 3PY 0.23947 129 3PZ 0.27342 130 4XX -0.00397 131 4YY -0.00394 132 4ZZ -0.00094 133 4XY 0.01061 134 4XZ 0.00804 135 4YZ 0.01294 136 10 C 1S 1.99261 137 2S 0.67848 138 2PX 0.67356 139 2PY 0.70159 140 2PZ 0.70345 141 3S 0.58775 142 3PX 0.23415 143 3PY 0.27246 144 3PZ 0.26135 145 4XX -0.00244 146 4YY -0.00478 147 4ZZ -0.00001 148 4XY 0.00960 149 4XZ 0.00727 150 4YZ 0.01259 151 11 C 1S 1.99226 152 2S 0.67868 153 2PX 0.69432 154 2PY 0.69489 155 2PZ 0.71660 156 3S 0.60474 157 3PX 0.27211 158 3PY 0.28470 159 3PZ 0.32689 160 4XX -0.00458 161 4YY -0.00253 162 4ZZ 0.00222 163 4XY 0.01001 164 4XZ 0.00726 165 4YZ 0.01307 166 12 H 1S 0.53164 167 2S 0.31014 168 13 H 1S 0.53139 169 2S 0.32189 170 14 C 1S 1.99220 171 2S 0.67892 172 2PX 0.69228 173 2PY 0.71098 174 2PZ 0.70282 175 3S 0.60161 176 3PX 0.27498 177 3PY 0.30467 178 3PZ 0.28756 179 4XX -0.00269 180 4YY -0.00120 181 4ZZ 0.00097 182 4XY 0.01138 183 4XZ 0.00672 184 4YZ 0.01047 185 15 H 1S 0.52822 186 2S 0.30699 187 16 H 1S 0.52970 188 2S 0.32508 189 17 C 1S 1.99219 190 2S 0.67869 191 2PX 0.70605 192 2PY 0.69704 193 2PZ 0.70638 194 3S 0.60007 195 3PX 0.28938 196 3PY 0.27498 197 3PZ 0.29924 198 4XX 0.00104 199 4YY -0.00461 200 4ZZ -0.00055 201 4XY 0.01052 202 4XZ 0.00798 203 4YZ 0.01128 204 18 C 1S 1.99222 205 2S 0.68051 206 2PX 0.68739 207 2PY 0.70270 208 2PZ 0.71261 209 3S 0.60219 210 3PX 0.25900 211 3PY 0.29587 212 3PZ 0.32600 213 4XX -0.00444 214 4YY -0.00198 215 4ZZ 0.00187 216 4XY 0.00927 217 4XZ 0.00772 218 4YZ 0.01333 219 19 H 1S 0.52950 220 2S 0.32654 221 20 H 1S 0.52888 222 2S 0.31267 223 21 H 1S 0.52932 224 2S 0.32376 225 22 H 1S 0.52787 226 2S 0.30648 227 23 H 1S 0.53326 228 2S 0.31459 229 24 H 1S 0.53413 230 2S 0.31427 231 25 H 1S 0.52012 232 2S 0.26965 233 26 H 1S 0.51947 234 2S 0.27619 235 27 H 1S 0.52145 236 2S 0.23490 237 28 Br 1S 2.00275 238 2S 2.18776 239 3S 0.73920 240 4S 1.66495 241 5S 1.21596 242 6S 0.78630 243 7PX 1.99731 244 7PY 1.99699 245 7PZ 1.99659 246 8PX 1.99420 247 8PY 1.99309 248 8PZ 1.99151 249 9PX 1.06909 250 9PY 0.95054 251 9PZ 0.78823 252 10PX 0.84925 253 10PY 0.73929 254 10PZ 0.50943 255 11XX 1.05661 256 11YY 1.05676 257 11ZZ 1.05678 258 11XY 1.99091 259 11XZ 1.99074 260 11YZ 1.99059 261 12XX 0.05820 262 12YY 0.07194 263 12ZZ 0.10422 264 12XY 0.01278 265 12XZ 0.01894 266 12YZ 0.02598 267 29 C 1S 1.99201 268 2S 0.67573 269 2PX 0.73797 270 2PY 0.69457 271 2PZ 0.68425 272 3S 0.67341 273 3PX 0.37725 274 3PY 0.34048 275 3PZ 0.28679 276 4XX 0.00470 277 4YY -0.00078 278 4ZZ -0.00039 279 4XY 0.01026 280 4XZ 0.00454 281 4YZ 0.00915 282 30 H 1S 0.52645 283 2S 0.28931 284 31 H 1S 0.52557 285 2S 0.30046 286 32 H 1S 0.51954 287 2S 0.27123 288 33 H 1S 0.52828 289 2S 0.30889 290 34 H 1S 0.52828 291 2S 0.29113 292 35 H 1S 0.52975 293 2S 0.30770 294 36 H 1S 0.52499 295 2S 0.29008 296 37 H 1S 0.52721 297 2S 0.30105 298 38 H 1S 0.52579 299 2S 0.28647 300 39 H 1S 0.51399 301 2S 0.26895 302 40 H 1S 0.52501 303 2S 0.27956 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.161117 0.342427 -0.044335 -0.019598 -0.043410 0.353538 2 C 0.342427 5.023030 0.370718 -0.041635 -0.013973 -0.031391 3 C -0.044335 0.370718 5.026821 0.356054 -0.029995 -0.015390 4 C -0.019598 -0.041635 0.356054 5.098107 0.366427 -0.043827 5 C -0.043410 -0.013973 -0.029995 0.366427 4.996028 0.357372 6 C 0.353538 -0.031391 -0.015390 -0.043827 0.357372 5.119873 7 C -0.051480 0.003401 0.000443 0.005157 -0.042830 0.293358 8 C 0.003504 -0.000113 -0.000003 0.000169 -0.009503 -0.034487 9 C -0.000127 0.000003 -0.000105 0.004048 -0.030619 -0.013750 10 C 0.004217 -0.000130 0.003425 -0.047703 0.353591 -0.041830 11 C -0.000096 -0.000003 0.000275 -0.005081 -0.032190 0.004347 12 H -0.000002 -0.000001 0.000020 0.003416 -0.006485 0.000025 13 H 0.000003 0.000000 -0.000021 -0.000544 -0.006018 0.000062 14 C 0.000001 0.000000 -0.000002 0.000102 0.003595 -0.000110 15 H -0.000000 0.000000 -0.000000 -0.000001 -0.000098 0.000002 16 H 0.000000 -0.000000 -0.000000 -0.000022 0.000008 0.000000 17 C 0.000000 -0.000000 0.000000 0.000002 0.000097 -0.000010 18 C 0.000003 0.000000 0.000001 -0.000088 0.003506 0.000441 19 H -0.000000 0.000000 0.000000 -0.000003 -0.000039 0.000034 20 H -0.000000 -0.000000 -0.000000 0.000001 -0.000101 -0.000033 21 H -0.000000 0.000000 -0.000000 -0.000000 -0.000020 0.000001 22 H 0.000000 0.000000 -0.000000 -0.000000 0.000006 0.000000 23 H 0.000056 -0.000010 0.000032 -0.005677 -0.044311 -0.009389 24 H -0.000026 0.000000 0.000001 -0.000013 -0.007980 0.001054 25 H -0.000113 0.000002 -0.000000 0.000008 0.000262 0.003333 26 H -0.000032 -0.000000 0.000000 0.000001 0.000234 -0.000582 27 H -0.002291 0.000201 -0.000005 -0.000083 0.002461 -0.041414 28 Br -0.023265 -0.008549 -0.000330 -0.005553 -0.024292 0.076895 29 C -0.003526 -0.001197 -0.004131 -0.048843 0.338696 -0.055734 30 H 0.002412 -0.000723 0.003529 -0.007105 -0.027766 -0.007445 31 H -0.000741 0.000056 -0.000013 0.004599 -0.030153 -0.003633 32 H 0.000095 0.000007 -0.000101 -0.003831 -0.028257 0.004990 33 H -0.000144 -0.002874 -0.037369 0.372988 -0.037101 -0.008117 34 H 0.000246 0.004297 -0.028948 0.371217 -0.031121 0.005649 35 H -0.003102 -0.040290 0.378818 -0.038619 -0.004401 -0.001384 36 H 0.004572 -0.030464 0.376311 -0.028463 0.003832 0.000348 37 H -0.042763 0.381927 -0.036955 -0.002080 -0.000727 -0.007326 38 H -0.030407 0.376467 -0.028056 0.004079 0.000320 0.004381 39 H 0.358229 -0.027860 -0.002853 0.000443 -0.006386 -0.032332 40 H 0.372880 -0.028297 0.003869 -0.000082 0.003773 -0.036669 7 8 9 10 11 12 1 C -0.051480 0.003504 -0.000127 0.004217 -0.000096 -0.000002 2 C 0.003401 -0.000113 0.000003 -0.000130 -0.000003 -0.000001 3 C 0.000443 -0.000003 -0.000105 0.003425 0.000275 0.000020 4 C 0.005157 0.000169 0.004048 -0.047703 -0.005081 0.003416 5 C -0.042830 -0.009503 -0.030619 0.353591 -0.032190 -0.006485 6 C 0.293358 -0.034487 -0.013750 -0.041830 0.004347 0.000025 7 C 5.220151 0.317164 -0.029883 -0.012965 0.000262 0.000007 8 C 0.317164 5.170021 0.332908 -0.046027 0.004407 -0.000161 9 C -0.029883 0.332908 4.996222 0.375456 -0.035632 0.004591 10 C -0.012965 -0.046027 0.375456 5.071156 0.370911 -0.034643 11 C 0.000262 0.004407 -0.035632 0.370911 5.055358 0.370873 12 H 0.000007 -0.000161 0.004591 -0.034643 0.370873 0.570405 13 H -0.000029 0.000073 -0.007827 -0.040370 0.370197 -0.035314 14 C 0.000013 0.000100 -0.013912 -0.033112 0.369078 -0.029142 15 H -0.000000 0.000007 0.000224 0.004280 -0.031440 -0.002486 16 H -0.000002 -0.000017 -0.001156 -0.006734 -0.040690 -0.003846 17 C -0.000125 0.003895 -0.035751 -0.012874 -0.044000 0.004474 18 C 0.002501 -0.034262 0.373785 -0.033669 -0.013378 0.000061 19 H -0.000221 -0.005970 -0.042877 -0.007610 -0.000738 -0.000027 20 H 0.000270 -0.003558 -0.035650 0.004279 0.000053 0.000013 21 H -0.000004 -0.000005 -0.005753 -0.001048 -0.004522 -0.000047 22 H 0.000002 -0.000116 0.004365 0.000217 0.004664 -0.000139 23 H -0.001149 -0.002061 -0.049743 0.368256 -0.041043 -0.004051 24 H 0.000266 -0.042388 0.371873 -0.045212 -0.006555 -0.000039 25 H -0.031174 0.368459 -0.032881 0.000097 -0.000078 0.000003 26 H -0.029901 0.356567 -0.024438 0.003275 -0.000094 0.000002 27 H 0.368502 -0.028338 0.002726 0.000210 0.000007 0.000000 28 Br 0.153857 -0.036150 -0.000984 -0.006131 0.000376 0.000009 29 C -0.002330 -0.000222 -0.005463 -0.045030 -0.009663 -0.000153 30 H -0.000199 -0.000049 0.000085 0.004421 0.000103 -0.000037 31 H 0.001605 0.000483 0.002128 -0.005240 0.000023 0.000023 32 H -0.000088 0.000039 -0.000638 -0.006787 0.004065 0.000084 33 H -0.000172 -0.000018 0.000175 -0.004325 -0.000911 0.000613 34 H -0.000152 -0.000001 -0.000012 -0.004510 0.001776 0.003730 35 H -0.000047 -0.000001 0.000003 0.000002 -0.000015 0.000007 36 H 0.000008 -0.000000 0.000001 -0.000087 0.000001 0.000007 37 H -0.000193 -0.000005 0.000002 -0.000060 -0.000000 0.000000 38 H -0.000135 0.000001 -0.000000 0.000007 0.000000 -0.000000 39 H 0.000276 -0.000181 0.000012 0.000019 -0.000000 0.000000 40 H -0.004364 0.000307 -0.000010 -0.000087 0.000001 0.000000 13 14 15 16 17 18 1 C 0.000003 0.000001 -0.000000 0.000000 0.000000 0.000003 2 C 0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 3 C -0.000021 -0.000002 -0.000000 -0.000000 0.000000 0.000001 4 C -0.000544 0.000102 -0.000001 -0.000022 0.000002 -0.000088 5 C -0.006018 0.003595 -0.000098 0.000008 0.000097 0.003506 6 C 0.000062 -0.000110 0.000002 0.000000 -0.000010 0.000441 7 C -0.000029 0.000013 -0.000000 -0.000002 -0.000125 0.002501 8 C 0.000073 0.000100 0.000007 -0.000017 0.003895 -0.034262 9 C -0.007827 -0.013912 0.000224 -0.001156 -0.035751 0.373785 10 C -0.040370 -0.033112 0.004280 -0.006734 -0.012874 -0.033669 11 C 0.370197 0.369078 -0.031440 -0.040690 -0.044000 -0.013378 12 H -0.035314 -0.029142 -0.002486 -0.003846 0.004474 0.000061 13 H 0.589565 -0.036398 -0.003937 0.005563 -0.004238 -0.000550 14 C -0.036398 4.996444 0.376197 0.375609 0.382555 -0.045519 15 H -0.003937 0.376197 0.557937 -0.032676 -0.030866 0.004687 16 H 0.005563 0.375609 -0.032676 0.590796 -0.039709 -0.004205 17 C -0.004238 0.382555 -0.030866 -0.039709 4.989296 0.374070 18 C -0.000550 -0.045519 0.004687 -0.004205 0.374070 5.036093 19 H 0.000148 -0.003900 -0.000062 0.004450 -0.036303 0.371050 20 H -0.000031 0.004590 -0.000143 -0.000053 -0.029506 0.372435 21 H 0.004731 -0.039537 -0.004240 0.005558 0.376626 -0.040664 22 H -0.000053 -0.030977 -0.002115 -0.004196 0.375742 -0.030389 23 H 0.005880 -0.003177 -0.000037 0.005937 -0.000935 -0.004607 24 H 0.005638 -0.000789 -0.000039 0.000179 -0.002833 -0.041546 25 H 0.000000 -0.000008 -0.000000 -0.000001 0.000235 -0.006838 26 H -0.000003 -0.000002 -0.000000 0.000000 -0.000126 0.001351 27 H -0.000000 0.000000 0.000000 -0.000000 0.000001 -0.000074 28 Br -0.000012 -0.000015 0.000000 -0.000023 -0.000005 -0.000022 29 C 0.000301 0.000222 -0.000000 -0.000005 -0.000033 0.000124 30 H -0.000004 -0.000001 -0.000000 0.000000 0.000000 -0.000001 31 H -0.000073 -0.000009 -0.000000 -0.000000 0.000001 -0.000010 32 H 0.006341 -0.000147 0.000009 0.000005 0.000002 -0.000015 33 H 0.000052 -0.000040 0.000000 0.000005 0.000001 -0.000007 34 H 0.000152 -0.000049 0.000003 0.000005 0.000001 -0.000000 35 H -0.000001 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 36 H 0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 37 H 0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 38 H -0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 39 H -0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 40 H 0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 19 20 21 22 23 24 1 C -0.000000 -0.000000 -0.000000 0.000000 0.000056 -0.000026 2 C 0.000000 -0.000000 0.000000 0.000000 -0.000010 0.000000 3 C 0.000000 -0.000000 -0.000000 -0.000000 0.000032 0.000001 4 C -0.000003 0.000001 -0.000000 -0.000000 -0.005677 -0.000013 5 C -0.000039 -0.000101 -0.000020 0.000006 -0.044311 -0.007980 6 C 0.000034 -0.000033 0.000001 0.000000 -0.009389 0.001054 7 C -0.000221 0.000270 -0.000004 0.000002 -0.001149 0.000266 8 C -0.005970 -0.003558 -0.000005 -0.000116 -0.002061 -0.042388 9 C -0.042877 -0.035650 -0.005753 0.004365 -0.049743 0.371873 10 C -0.007610 0.004279 -0.001048 0.000217 0.368256 -0.045212 11 C -0.000738 0.000053 -0.004522 0.004664 -0.041043 -0.006555 12 H -0.000027 0.000013 -0.000047 -0.000139 -0.004051 -0.000039 13 H 0.000148 -0.000031 0.004731 -0.000053 0.005880 0.005638 14 C -0.003900 0.004590 -0.039537 -0.030977 -0.003177 -0.000789 15 H -0.000062 -0.000143 -0.004240 -0.002115 -0.000037 -0.000039 16 H 0.004450 -0.000053 0.005558 -0.004196 0.005937 0.000179 17 C -0.036303 -0.029506 0.376626 0.375742 -0.000935 -0.002833 18 C 0.371050 0.372435 -0.040664 -0.030389 -0.004607 -0.041546 19 H 0.594293 -0.034865 0.005499 -0.004294 0.005623 0.006050 20 H -0.034865 0.572457 -0.004129 -0.002200 -0.000037 -0.004292 21 H 0.005499 -0.004129 0.587635 -0.032370 0.000177 0.005182 22 H -0.004294 -0.002200 -0.032370 0.556328 -0.000047 -0.000060 23 H 0.005623 -0.000037 0.000177 -0.000047 0.603255 0.006398 24 H 0.006050 -0.004292 0.005182 -0.000060 0.006398 0.601980 25 H 0.005465 0.001158 0.000016 -0.000016 0.000791 0.004576 26 H -0.000019 0.000870 0.000006 0.000002 -0.000067 -0.008273 27 H -0.000011 0.000004 -0.000000 -0.000000 -0.000039 -0.000184 28 Br 0.000373 0.000005 -0.000000 -0.000000 0.007755 -0.000106 29 C 0.000001 0.000000 -0.000013 0.000000 0.005132 0.003260 30 H 0.000000 -0.000000 0.000000 0.000000 -0.000110 0.000029 31 H 0.000001 0.000005 -0.000002 -0.000000 -0.000054 0.002141 32 H -0.000001 0.000000 -0.000002 -0.000000 0.000153 0.000110 33 H -0.000001 0.000000 -0.000000 -0.000000 0.005167 0.000003 34 H -0.000000 0.000000 0.000000 -0.000000 -0.000201 -0.000005 35 H -0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 36 H 0.000000 0.000000 0.000000 -0.000000 -0.000002 0.000000 37 H -0.000000 0.000000 0.000000 -0.000000 -0.000011 -0.000000 38 H -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 39 H -0.000000 -0.000000 0.000000 -0.000000 -0.000016 -0.000005 40 H 0.000000 0.000000 0.000000 -0.000000 0.000006 0.000001 25 26 27 28 29 30 1 C -0.000113 -0.000032 -0.002291 -0.023265 -0.003526 0.002412 2 C 0.000002 -0.000000 0.000201 -0.008549 -0.001197 -0.000723 3 C -0.000000 0.000000 -0.000005 -0.000330 -0.004131 0.003529 4 C 0.000008 0.000001 -0.000083 -0.005553 -0.048843 -0.007105 5 C 0.000262 0.000234 0.002461 -0.024292 0.338696 -0.027766 6 C 0.003333 -0.000582 -0.041414 0.076895 -0.055734 -0.007445 7 C -0.031174 -0.029901 0.368502 0.153857 -0.002330 -0.000199 8 C 0.368459 0.356567 -0.028338 -0.036150 -0.000222 -0.000049 9 C -0.032881 -0.024438 0.002726 -0.000984 -0.005463 0.000085 10 C 0.000097 0.003275 0.000210 -0.006131 -0.045030 0.004421 11 C -0.000078 -0.000094 0.000007 0.000376 -0.009663 0.000103 12 H 0.000003 0.000002 0.000000 0.000009 -0.000153 -0.000037 13 H 0.000000 -0.000003 -0.000000 -0.000012 0.000301 -0.000004 14 C -0.000008 -0.000002 0.000000 -0.000015 0.000222 -0.000001 15 H -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 16 H -0.000001 0.000000 -0.000000 -0.000023 -0.000005 0.000000 17 C 0.000235 -0.000126 0.000001 -0.000005 -0.000033 0.000000 18 C -0.006838 0.001351 -0.000074 -0.000022 0.000124 -0.000001 19 H 0.005465 -0.000019 -0.000011 0.000373 0.000001 0.000000 20 H 0.001158 0.000870 0.000004 0.000005 0.000000 -0.000000 21 H 0.000016 0.000006 -0.000000 -0.000000 -0.000013 0.000000 22 H -0.000016 0.000002 -0.000000 -0.000000 0.000000 0.000000 23 H 0.000791 -0.000067 -0.000039 0.007755 0.005132 -0.000110 24 H 0.004576 -0.008273 -0.000184 -0.000106 0.003260 0.000029 25 H 0.509044 -0.025567 -0.000154 -0.006857 -0.000007 0.000000 26 H -0.025567 0.521749 -0.003482 0.003645 0.000144 -0.000007 27 H -0.000154 -0.003482 0.481458 -0.027398 -0.000241 0.000005 28 Br -0.006857 0.003645 -0.027398 34.785611 0.002811 -0.000046 29 C -0.000007 0.000144 -0.000241 0.002811 5.204756 0.369335 30 H 0.000000 -0.000007 0.000005 -0.000046 0.369335 0.523862 31 H 0.000016 0.000411 -0.000109 -0.000006 0.367849 -0.029313 32 H -0.000001 -0.000003 0.000007 -0.000041 0.372908 -0.022303 33 H 0.000001 -0.000000 -0.000000 0.004480 0.005073 0.000062 34 H -0.000000 0.000000 0.000002 0.000109 -0.006583 -0.000065 35 H 0.000000 0.000000 -0.000000 0.000026 0.001035 0.004498 36 H 0.000000 0.000000 -0.000000 -0.000069 0.000134 -0.000120 37 H 0.000000 -0.000000 -0.000007 0.007585 0.000042 0.000005 38 H -0.000000 -0.000000 -0.000004 0.000165 -0.000036 -0.000010 39 H -0.000001 0.000011 0.000001 0.002835 0.001256 0.002690 40 H -0.000001 -0.000016 0.004603 0.000222 0.000070 0.000020 31 32 33 34 35 36 1 C -0.000741 0.000095 -0.000144 0.000246 -0.003102 0.004572 2 C 0.000056 0.000007 -0.002874 0.004297 -0.040290 -0.030464 3 C -0.000013 -0.000101 -0.037369 -0.028948 0.378818 0.376311 4 C 0.004599 -0.003831 0.372988 0.371217 -0.038619 -0.028463 5 C -0.030153 -0.028257 -0.037101 -0.031121 -0.004401 0.003832 6 C -0.003633 0.004990 -0.008117 0.005649 -0.001384 0.000348 7 C 0.001605 -0.000088 -0.000172 -0.000152 -0.000047 0.000008 8 C 0.000483 0.000039 -0.000018 -0.000001 -0.000001 -0.000000 9 C 0.002128 -0.000638 0.000175 -0.000012 0.000003 0.000001 10 C -0.005240 -0.006787 -0.004325 -0.004510 0.000002 -0.000087 11 C 0.000023 0.004065 -0.000911 0.001776 -0.000015 0.000001 12 H 0.000023 0.000084 0.000613 0.003730 0.000007 0.000007 13 H -0.000073 0.006341 0.000052 0.000152 -0.000001 0.000000 14 C -0.000009 -0.000147 -0.000040 -0.000049 0.000000 -0.000000 15 H -0.000000 0.000009 0.000000 0.000003 -0.000000 0.000000 16 H -0.000000 0.000005 0.000005 0.000005 -0.000000 0.000000 17 C 0.000001 0.000002 0.000001 0.000001 -0.000000 0.000000 18 C -0.000010 -0.000015 -0.000007 -0.000000 -0.000000 -0.000000 19 H 0.000001 -0.000001 -0.000001 -0.000000 -0.000000 0.000000 20 H 0.000005 0.000000 0.000000 0.000000 0.000000 0.000000 21 H -0.000002 -0.000002 -0.000000 0.000000 -0.000000 0.000000 22 H -0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 23 H -0.000054 0.000153 0.005167 -0.000201 0.000000 -0.000002 24 H 0.002141 0.000110 0.000003 -0.000005 -0.000000 0.000000 25 H 0.000016 -0.000001 0.000001 -0.000000 0.000000 0.000000 26 H 0.000411 -0.000003 -0.000000 0.000000 0.000000 0.000000 27 H -0.000109 0.000007 -0.000000 0.000002 -0.000000 -0.000000 28 Br -0.000006 -0.000041 0.004480 0.000109 0.000026 -0.000069 29 C 0.367849 0.372908 0.005073 -0.006583 0.001035 0.000134 30 H -0.029313 -0.022303 0.000062 -0.000065 0.004498 -0.000120 31 H 0.540033 -0.024228 -0.000146 0.000017 -0.000082 0.000001 32 H -0.024228 0.484830 0.000050 0.003215 0.000242 -0.000023 33 H -0.000146 0.000050 0.566501 -0.030430 0.004958 -0.004526 34 H 0.000017 0.003215 -0.030430 0.537339 -0.004248 -0.001837 35 H -0.000082 0.000242 0.004958 -0.004248 0.566880 -0.029929 36 H 0.000001 -0.000023 -0.004526 -0.001837 -0.029929 0.531688 37 H 0.000001 0.000003 0.003252 -0.000052 0.004923 -0.004439 38 H -0.000001 0.000000 -0.000054 -0.000119 -0.004142 -0.001760 39 H 0.000477 0.000080 0.000036 -0.000026 0.002340 0.000007 40 H -0.000034 0.000001 -0.000012 0.000011 -0.000017 -0.000121 37 38 39 40 1 C -0.042763 -0.030407 0.358229 0.372880 2 C 0.381927 0.376467 -0.027860 -0.028297 3 C -0.036955 -0.028056 -0.002853 0.003869 4 C -0.002080 0.004079 0.000443 -0.000082 5 C -0.000727 0.000320 -0.006386 0.003773 6 C -0.007326 0.004381 -0.032332 -0.036669 7 C -0.000193 -0.000135 0.000276 -0.004364 8 C -0.000005 0.000001 -0.000181 0.000307 9 C 0.000002 -0.000000 0.000012 -0.000010 10 C -0.000060 0.000007 0.000019 -0.000087 11 C -0.000000 0.000000 -0.000000 0.000001 12 H 0.000000 -0.000000 0.000000 0.000000 13 H 0.000000 -0.000000 -0.000000 0.000000 14 C -0.000000 0.000000 -0.000000 -0.000000 15 H 0.000000 -0.000000 -0.000000 0.000000 16 H 0.000000 -0.000000 0.000000 0.000000 17 C 0.000000 0.000000 0.000000 0.000000 18 C -0.000000 0.000000 0.000000 -0.000000 19 H -0.000000 -0.000000 -0.000000 0.000000 20 H 0.000000 -0.000000 -0.000000 0.000000 21 H 0.000000 -0.000000 0.000000 0.000000 22 H -0.000000 -0.000000 -0.000000 -0.000000 23 H -0.000011 -0.000000 -0.000016 0.000006 24 H -0.000000 0.000000 -0.000005 0.000001 25 H 0.000000 -0.000000 -0.000001 -0.000001 26 H -0.000000 -0.000000 0.000011 -0.000016 27 H -0.000007 -0.000004 0.000001 0.004603 28 Br 0.007585 0.000165 0.002835 0.000222 29 C 0.000042 -0.000036 0.001256 0.000070 30 H 0.000005 -0.000010 0.002690 0.000020 31 H 0.000001 -0.000001 0.000477 -0.000034 32 H 0.000003 0.000000 0.000080 0.000001 33 H 0.003252 -0.000054 0.000036 -0.000012 34 H -0.000052 -0.000119 -0.000026 0.000011 35 H 0.004923 -0.004142 0.002340 -0.000017 36 H -0.004439 -0.001760 0.000007 -0.000121 37 H 0.553375 -0.029070 0.004618 -0.003787 38 H -0.029070 0.526600 -0.004729 -0.001242 39 H 0.004618 -0.004729 0.509532 -0.025540 40 H -0.003787 -0.001242 -0.025540 0.519080 Mulliken charges: 1 1 C -0.337841 2 C -0.275027 3 C -0.291706 4 C -0.287970 5 C 0.027565 6 C 0.159148 7 C -0.159798 8 C -0.314470 9 C -0.101398 10 C -0.127636 11 C -0.290648 12 H 0.158211 13 H 0.146720 14 C -0.271660 15 H 0.164793 16 H 0.145219 17 C -0.269682 18 C -0.284265 19 H 0.143953 20 H 0.158459 21 H 0.146923 22 H 0.165649 23 H 0.152153 24 H 0.151604 25 H 0.210229 26 H 0.204342 27 H 0.243647 28 Br 0.093096 29 C -0.489941 30 H 0.184249 31 H 0.173975 32 H 0.209229 33 H 0.162830 34 H 0.180588 35 H 0.162544 36 H 0.184930 37 H 0.171741 38 H 0.187745 39 H 0.217064 40 H 0.195435 Sum of Mulliken charges = 1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.074658 2 C 0.084460 3 C 0.055768 4 C 0.055447 5 C 0.027565 6 C 0.159148 7 C 0.083849 8 C 0.100101 9 C 0.050206 10 C 0.024518 11 C 0.014283 14 C 0.038351 17 C 0.042890 18 C 0.018147 28 Br 0.093096 29 C 0.077513 Electronic spatial extent (au): = 4262.2764 Charge= 1.0000 electrons Dipole moment (field-independent basis, Debye): X= -2.4951 Y= 0.1039 Z= 2.7950 Tot= 3.7482 Quadrupole moment (field-independent basis, Debye-Ang): XX= -86.3696 YY= -94.2368 ZZ= -98.1134 XY= -1.7988 XZ= -1.9136 YZ= -1.9853 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 6.5370 YY= -1.3302 ZZ= -5.2068 XY= -1.7988 XZ= -1.9136 YZ= -1.9853 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -45.2891 YYY= -51.2534 ZZZ= -15.0904 XYY= -21.0573 XXY= -7.1742 XXZ= -5.0394 XZZ= -20.2116 YZZ= -23.7121 YYZ= -4.3848 XYZ= -1.9982 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -2937.8206 YYYY= -1419.0070 ZZZZ= -674.3929 XXXY= 30.5754 XXXZ= -3.0719 YYYX= 59.1857 YYYZ= 37.9946 ZZZX= 34.0944 ZZZY= 38.0416 XXYY= -732.6999 XXZZ= -617.8655 YYZZ= -331.4162 XXYZ= 5.8313 YYXZ= 14.9026 ZZXY= 22.4006 N-N= 1.662321977778D+03 E-N=-1.078884453740D+04 KE= 3.135851578453D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -483.102236 583.685781 2 O -62.063030 119.505187 3 O -56.582880 117.113376 4 O -56.579311 117.135530 5 O -56.578277 117.139424 6 O -10.450909 15.890236 7 O -10.436457 15.888797 8 O -10.368736 15.893229 9 O -10.358097 15.884259 10 O -10.348867 15.884375 11 O -10.332829 15.882865 12 O -10.327122 15.888564 13 O -10.326234 15.885182 14 O -10.326054 15.889721 15 O -10.323312 15.885370 16 O -10.314675 15.885292 17 O -10.299305 15.885703 18 O -10.296500 15.885386 19 O -10.285186 15.885332 20 O -10.282986 15.885738 21 O -8.772155 27.608261 22 O -6.725900 26.123509 23 O -6.714135 26.142673 24 O -6.710663 26.146641 25 O -2.841483 21.387597 26 O -2.838988 21.393306 27 O -2.836203 21.397532 28 O -2.826835 21.404334 29 O -2.826660 21.404243 30 O -1.062531 1.641797 31 O -0.979508 1.824749 32 O -0.967564 1.330368 33 O -0.921466 1.545613 34 O -0.913613 2.375672 35 O -0.896628 1.549301 36 O -0.857103 1.704734 37 O -0.852377 1.439746 38 O -0.832415 1.423594 39 O -0.789149 1.512424 40 O -0.772590 1.349375 41 O -0.749607 1.395853 42 O -0.720770 1.367096 43 O -0.702799 1.377525 44 O -0.677130 1.112588 45 O -0.665302 1.262245 46 O -0.645264 1.112956 47 O -0.629193 1.139280 48 O -0.616028 1.246221 49 O -0.598118 1.059121 50 O -0.586711 1.108210 51 O -0.581114 1.103880 52 O -0.574732 1.121300 53 O -0.566987 1.117202 54 O -0.554598 1.146741 55 O -0.548020 1.157630 56 O -0.545585 1.168074 57 O -0.538251 1.209208 58 O -0.527239 1.199777 59 O -0.519232 1.228311 60 O -0.509381 1.389615 61 O -0.501484 1.311581 62 O -0.495160 1.260041 63 O -0.489790 1.270521 64 O -0.485339 1.330393 65 O -0.474380 2.104974 66 O -0.469305 1.946001 67 O -0.461187 1.233899 68 O -0.458842 1.330464 69 O -0.456750 1.283427 70 O -0.451035 1.457409 71 O -0.443645 1.715332 72 O -0.429365 1.197869 73 O -0.416810 1.462072 74 O -0.412120 1.414157 75 V -0.255582 2.201147 76 V -0.192996 1.910226 77 V -0.068881 0.984350 78 V -0.048060 1.003910 79 V -0.037710 0.951453 80 V -0.023457 1.032814 81 V -0.017713 1.075273 82 V -0.013991 1.105579 83 V -0.005603 1.184645 84 V 0.002619 1.120380 85 V 0.003224 1.064778 86 V 0.007927 1.195849 87 V 0.011091 1.219275 88 V 0.019458 1.517784 89 V 0.026294 1.454654 90 V 0.032568 1.168632 91 V 0.040003 1.062221 92 V 0.042991 1.156753 93 V 0.045400 1.116243 94 V 0.048583 1.205476 95 V 0.052832 1.379762 96 V 0.057438 1.184378 97 V 0.063032 1.328520 98 V 0.065674 1.247704 99 V 0.072743 1.353239 100 V 0.080852 1.294319 101 V 0.087033 1.475084 102 V 0.093628 1.435270 103 V 0.097305 1.360987 104 V 0.102122 1.471670 105 V 0.110561 1.516237 106 V 0.115030 1.309673 107 V 0.125026 1.319908 108 V 0.132276 1.557622 109 V 0.140100 1.512522 110 V 0.144512 1.594853 111 V 0.153750 1.691408 112 V 0.161218 1.613601 113 V 0.163394 1.652540 114 V 0.178443 1.817170 115 V 0.179721 1.697041 116 V 0.195628 1.680802 117 V 0.213919 2.003928 118 V 0.232400 2.037214 119 V 0.255365 2.003072 120 V 0.260750 2.291257 121 V 0.272872 2.016661 122 V 0.297887 2.129922 123 V 0.325505 2.517585 124 V 0.334782 2.269381 125 V 0.346078 2.353066 126 V 0.357393 2.350851 127 V 0.369403 2.172637 128 V 0.379331 1.934333 129 V 0.393030 1.902307 130 V 0.399403 2.126830 131 V 0.412347 1.947515 132 V 0.423222 2.128517 133 V 0.433405 2.220751 134 V 0.443224 2.039253 135 V 0.458444 2.030128 136 V 0.467879 2.286922 137 V 0.474595 2.314115 138 V 0.476387 2.167169 139 V 0.487778 2.319326 140 V 0.517287 2.491193 141 V 0.524611 2.552552 142 V 0.525934 2.592567 143 V 0.531378 2.558762 144 V 0.539339 2.497605 145 V 0.547313 2.522852 146 V 0.560781 2.552641 147 V 0.570133 2.546905 148 V 0.585140 2.516468 149 V 0.586488 2.495901 150 V 0.591925 2.628134 151 V 0.609829 2.413533 152 V 0.621969 2.483946 153 V 0.633108 2.446693 154 V 0.649181 2.513936 155 V 0.669642 2.367664 156 V 0.670324 2.494641 157 V 0.677082 2.422403 158 V 0.694626 2.489578 159 V 0.702522 2.528940 160 V 0.715257 2.556336 161 V 0.718695 2.632468 162 V 0.722830 2.560490 163 V 0.734982 2.578256 164 V 0.740976 2.535130 165 V 0.745373 2.570231 166 V 0.749748 2.581314 167 V 0.764624 2.562434 168 V 0.767359 2.485578 169 V 0.777862 2.502437 170 V 0.783742 2.566396 171 V 0.790071 2.676965 172 V 0.793645 2.676323 173 V 0.801030 2.596262 174 V 0.809536 2.376388 175 V 0.815008 2.532491 176 V 0.818694 2.545360 177 V 0.824004 2.551569 178 V 0.832937 2.616879 179 V 0.837791 2.505843 180 V 0.845332 2.581130 181 V 0.857107 2.585964 182 V 0.863944 2.473415 183 V 0.871706 2.601198 184 V 0.877525 2.635459 185 V 0.882045 2.477509 186 V 0.901625 2.420247 187 V 0.917596 2.610908 188 V 0.924712 2.483020 189 V 0.966612 2.489627 190 V 0.978038 2.389244 191 V 1.008849 2.407913 192 V 1.031474 2.419442 193 V 1.041768 2.420226 194 V 1.074356 2.346525 195 V 1.091150 2.525722 196 V 1.108640 2.520369 197 V 1.121408 2.608958 198 V 1.160485 2.544027 199 V 1.183189 2.514637 200 V 1.194649 2.610812 201 V 1.236214 2.571272 202 V 1.277397 2.584353 203 V 1.301176 2.576265 204 V 1.310055 2.647533 205 V 1.366911 2.863535 206 V 1.377243 2.759015 207 V 1.410358 3.600588 208 V 1.417984 2.778962 209 V 1.447168 2.760301 210 V 1.468258 3.499812 211 V 1.469590 2.853260 212 V 1.503855 3.065235 213 V 1.512071 2.928889 214 V 1.541148 3.069585 215 V 1.567605 3.149129 216 V 1.577875 3.202248 217 V 1.595941 3.061840 218 V 1.623936 3.161852 219 V 1.626309 3.020184 220 V 1.642162 3.087245 221 V 1.661718 3.408814 222 V 1.674298 3.170461 223 V 1.682315 3.188511 224 V 1.695498 3.306556 225 V 1.713049 3.247111 226 V 1.737548 3.394525 227 V 1.746770 3.277648 228 V 1.761028 3.352809 229 V 1.764678 3.273977 230 V 1.785180 3.233264 231 V 1.797541 3.343469 232 V 1.806033 3.280903 233 V 1.814753 3.248337 234 V 1.826783 3.453799 235 V 1.836981 3.328245 236 V 1.858613 3.342935 237 V 1.866633 3.428662 238 V 1.890304 3.373044 239 V 1.898255 3.384260 240 V 1.905743 3.422089 241 V 1.917250 3.412135 242 V 1.920775 3.454593 243 V 1.935084 3.425567 244 V 1.967583 3.521188 245 V 1.974469 3.494914 246 V 1.988718 3.520151 247 V 1.999118 3.506521 248 V 2.023519 3.489546 249 V 2.033174 3.551985 250 V 2.052674 3.566203 251 V 2.101162 3.630348 252 V 2.122922 3.598110 253 V 2.137615 3.714326 254 V 2.150867 3.678183 255 V 2.165500 3.693209 256 V 2.174722 3.744854 257 V 2.200896 3.708137 258 V 2.205787 3.733787 259 V 2.223806 3.749934 260 V 2.236217 3.781854 261 V 2.249894 3.810472 262 V 2.262392 3.809783 263 V 2.269042 3.771166 264 V 2.275526 3.814204 265 V 2.289466 3.833883 266 V 2.295100 3.812228 267 V 2.316237 3.867789 268 V 2.324834 3.850118 269 V 2.352245 3.855890 270 V 2.369095 3.879124 271 V 2.443004 4.119169 272 V 2.453223 4.165295 273 V 2.470264 4.154442 274 V 2.498457 4.208910 275 V 2.501250 4.214534 276 V 2.535452 4.213991 277 V 2.564687 4.221665 278 V 2.580310 4.270862 279 V 2.599533 4.295704 280 V 2.631308 4.316454 281 V 2.664462 4.372901 282 V 2.670801 4.358282 283 V 2.726899 4.396765 284 V 2.757285 4.432677 285 V 2.813733 4.503261 286 V 2.836643 4.576861 287 V 3.953252 10.189186 288 V 4.032914 10.277233 289 V 4.065587 10.325916 290 V 4.106005 10.322735 291 V 4.135450 10.392020 292 V 4.165869 10.411397 293 V 4.243716 10.568496 294 V 4.269783 10.547786 295 V 4.339617 10.552279 296 V 4.418126 10.466831 297 V 4.441745 10.611628 298 V 4.455014 10.572607 299 V 4.479745 10.760740 300 V 4.561867 10.988701 301 V 4.662262 11.058324 302 V 8.534760 33.600078 303 V 74.753628 344.271502 Total kinetic energy from orbitals= 3.135851578453D+03 Running external command "gaunbo6 R" input file "/scratch/webmo-13362/556300/Gau-12795.EIn" output file "/scratch/webmo-13362/556300/Gau-12795.EOu" message file "/scratch/webmo-13362/556300/Gau-12795.EMs" fchk file "/scratch/webmo-13362/556300/Gau-12795.EFC" mat. el file "/scratch/webmo-13362/556300/Gau-12795.EUF" Writing WrtUnf unformatted file "/scratch/webmo-13362/556300/Gau-12795.EUF" Gaussian matrix elements Version 2 NLab=11 Len12L=8 Len4L=8 Write SHELL TO ATOM MAP from file 0 offset 0 length 120 to matrix element file. Write SHELL TYPES from file 0 offset 0 length 120 to matrix element file. Write NUMBER OF PRIMITIVES PER SHELL from file 0 offset 0 length 120 to matrix element file. Write PRIMITIVE EXPONENTS from file 0 offset 0 length 292 to matrix element file. Write CONTRACTION COEFFICIENTS from file 0 offset 0 length 292 to matrix element file. Write P(S=P) CONTRACTION COEFFICIENTS from file 0 offset 0 length 292 to matrix element file. Write COORDINATES OF EACH SHELL from file 0 offset 0 length 360 to matrix element file. Write BONDS PER ATOM from file 0 offset 0 length 40 to matrix element file. Write BONDED ATOMS from file 0 offset 0 length 86 to matrix element file. Write BOND TYPES from file 0 offset 0 length 86 to matrix element file. Write ONIOM CHARGE/MULT from file 0 offset 0 length 32 to matrix element file. Write ONIOM ATOM LAYERS from file 0 offset 0 length 40 to matrix element file. Write ONIOM ATOM MODIFIERS from file 0 offset 0 length 40 to matrix element file. Write ONIOM ATOM TYPES from file 0 offset 0 length 40 to matrix element file. Write ONIOM LINK ATOMS from file 0 offset 0 length 40 to matrix element file. Write ONIOM LINK CHARGES from file 0 offset 0 length 40 to matrix element file. Write ONIOM LINK DISTANCES from file 0 offset 0 length 160 to matrix element file. Write SYMINF INTS from file 0 offset 0 length 26 to matrix element file. Write ROTTR TO SO from file 0 offset 0 length 12 to matrix element file. Write GAUSSIAN SCALARS from file 501 offset 0 to matrix element file. Write OPTIMIZATION FLAGS from file 0 offset 0 length 40 to matrix element file. Write INTEGER ISO from file 0 offset 0 length 40 to matrix element file. Write INTEGER SPIN from file 0 offset 0 length 40 to matrix element file. Write REAL ZEFFECTIVE from file 0 offset 0 length 40 to matrix element file. Write REAL QUADRUPOLEMOMENT from file 0 offset 0 length 40 to matrix element file. Write REAL GFACTOR from file 0 offset 0 length 40 to matrix element file. Write REAL ZNUCLEAR from file 0 offset 0 length 40 to matrix element file. Write MULLIKEN CHARGES from file 0 offset 0 length 40 to matrix element file. Write NUCLEAR GRADIENT from file 10584 offset 0 length 120 to matrix element file. Array NUCLEAR FORCE CONSTANTS on file 10585 does not exist. Write ELECTRIC DIPOLE MOMENT from file 0 offset 0 length 3 to matrix element file. Write NON-ADIABATIC COUPLING from file 10810 offset 0 length 120 to matrix element file. Write FINITE EM FIELD from file 10521 offset 0 length 35 to matrix element file. Write OVERLAP from file 10514 offset 0 length 46056 to matrix element file. Write CORE HAMILTONIAN ALPHA from file 10515 offset 0 length 46056 to matrix element file. Write CORE HAMILTONIAN BETA from file 10515 offset 46056 length 46056 to matrix element file. Write KINETIC ENERGY from file 10516 offset 0 length 46056 to matrix element file. Write ORTHOGONAL BASIS from file 10685 offset 0 length 91809 to matrix element file. Write DIPOLE INTEGRALS from file 10518 offset 0 length 138168 to matrix element file. Array DIP VEL INTEGRALS on file 10572 does not exist. Array R X DEL INTEGRALS on file 10572 does not exist. Write ALPHA ORBITAL ENERGIES from file 0 offset 0 length 303 to matrix element file. Write ALPHA MO COEFFICIENTS from file 10524 offset 0 length 91809 to matrix element file. Write ALPHA DENSITY MATRIX from file 0 offset 0 length 46056 to matrix element file. Write ALPHA FOCK MATRIX from file 10536 offset 0 length 46056 to matrix element file. Write ENERGY-WEIGHTED DENSITY from file 10571 offset 0 length 46056 to matrix element file. Write ALPHA SCF DENSITY MATRIX from file 0 offset 0 length 46056 to matrix element file. No 2e integrals to process. Perform NBO analysis... *********************************** NBO 7.0 *********************************** N A T U R A L A T O M I C O R B I T A L A N D N A T U R A L B O N D O R B I T A L A N A L Y S I S ***************************** UW-Madison (S101551) **************************** (c) Copyright 1996-2020 Board of Regents of the University of Wisconsin System on behalf of the Theoretical Chemistry Institute. All rights reserved. Cite this program [NBO 7.0.8 (11-Feb-2020)] as: NBO 7.0. E. D. Glendening, J. K. Badenhoop, A. E. Reed, J. E. Carpenter, J. A. Bohmann, C. M. Morales, P. Karafiloglou, C. R. Landis, and F. Weinhold, Theoretical Chemistry Institute, University of Wisconsin, Madison, WI (2018) /NRT / : Natural Resonance Theory Analysis /AOPNAO / : Write the AO to PNAO transformation to lfn32 /AOPNHO / : Write the AO to PNHO transformation to lfn34 /AOPNBO / : Write the AO to PNBO transformation to lfn36 /DMNAO / : Write the NAO density matrix to lfn82 /DMNHO / : Write the NHO density matrix to lfn84 /DMNBO / : Write the NBO density matrix to lfn86 /FNAO / : Write the NAO Fock matrix to lfn92 /FNHO / : Write the NHO Fock matrix to lfn94 /FNBO / : Write the NBO Fock matrix to lfn96 /FILE / : Set to NBODATA Filename set to NBODATA Job title: C15H24Br(+1) cholesterol bromonium from below NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ------------------------------------------------------- 1 C 1 s Cor( 1s) 1.99999 -10.35805 2 C 1 s Val( 2s) 1.03638 -0.32779 3 C 1 s Ryd( 3s) 0.00087 1.36651 4 C 1 s Ryd( 4s) 0.00004 4.16495 5 C 1 px Val( 2p) 1.04955 -0.22400 6 C 1 px Ryd( 3p) 0.00263 0.50171 7 C 1 py Val( 2p) 1.23734 -0.25590 8 C 1 py Ryd( 3p) 0.00651 0.74107 9 C 1 pz Val( 2p) 1.17389 -0.24705 10 C 1 pz Ryd( 3p) 0.00127 0.51038 11 C 1 dxy Ryd( 3d) 0.00071 1.99409 12 C 1 dxz Ryd( 3d) 0.00034 1.83244 13 C 1 dyz Ryd( 3d) 0.00124 1.99904 14 C 1 dx2y2 Ryd( 3d) 0.00099 1.97771 15 C 1 dz2 Ryd( 3d) 0.00104 1.94509 16 C 2 s Cor( 1s) 1.99999 -10.32619 17 C 2 s Val( 2s) 1.04400 -0.30202 18 C 2 s Ryd( 3s) 0.00053 1.36825 19 C 2 s Ryd( 4s) 0.00004 4.13808 20 C 2 px Val( 2p) 1.18562 -0.20937 21 C 2 px Ryd( 3p) 0.00370 0.63173 22 C 2 py Val( 2p) 1.10073 -0.19468 23 C 2 py Ryd( 3p) 0.00253 0.58562 24 C 2 pz Val( 2p) 1.11387 -0.20156 25 C 2 pz Ryd( 3p) 0.00251 0.59390 26 C 2 dxy Ryd( 3d) 0.00072 2.01201 27 C 2 dxz Ryd( 3d) 0.00056 1.90598 28 C 2 dyz Ryd( 3d) 0.00129 2.07511 29 C 2 dx2y2 Ryd( 3d) 0.00087 1.91181 30 C 2 dz2 Ryd( 3d) 0.00061 1.91001 31 C 3 s Cor( 1s) 1.99999 -10.31463 32 C 3 s Val( 2s) 1.03803 -0.28958 33 C 3 s Ryd( 3s) 0.00053 1.37499 34 C 3 s Ryd( 4s) 0.00004 4.16263 35 C 3 px Val( 2p) 1.03927 -0.17338 36 C 3 px Ryd( 3p) 0.00200 0.54471 37 C 3 py Val( 2p) 1.13267 -0.19064 38 C 3 py Ryd( 3p) 0.00179 0.54621 39 C 3 pz Val( 2p) 1.25075 -0.21326 40 C 3 pz Ryd( 3p) 0.00428 0.76431 41 C 3 dxy Ryd( 3d) 0.00066 2.01340 42 C 3 dxz Ryd( 3d) 0.00053 1.86608 43 C 3 dyz Ryd( 3d) 0.00147 2.05632 44 C 3 dx2y2 Ryd( 3d) 0.00064 1.99261 45 C 3 dz2 Ryd( 3d) 0.00073 1.93611 46 C 4 s Cor( 1s) 1.99999 -10.32327 47 C 4 s Val( 2s) 1.02969 -0.29305 48 C 4 s Ryd( 3s) 0.00084 1.43844 49 C 4 s Ryd( 4s) 0.00003 4.14215 50 C 4 px Val( 2p) 1.08712 -0.19066 51 C 4 px Ryd( 3p) 0.00237 0.66980 52 C 4 py Val( 2p) 1.20143 -0.21373 53 C 4 py Ryd( 3p) 0.00442 0.76502 54 C 4 pz Val( 2p) 1.12403 -0.20472 55 C 4 pz Ryd( 3p) 0.00262 0.58620 56 C 4 dxy Ryd( 3d) 0.00104 2.01444 57 C 4 dxz Ryd( 3d) 0.00045 1.90223 58 C 4 dyz Ryd( 3d) 0.00122 2.02557 59 C 4 dx2y2 Ryd( 3d) 0.00062 1.99205 60 C 4 dz2 Ryd( 3d) 0.00082 2.00743 61 C 5 s Cor( 1s) 1.99999 -10.36867 62 C 5 s Val( 2s) 0.91111 -0.27559 63 C 5 s Ryd( 3s) 0.00053 1.98460 64 C 5 s Ryd( 4s) 0.00002 4.01236 65 C 5 px Val( 2p) 1.06726 -0.22035 66 C 5 px Ryd( 3p) 0.00396 0.87212 67 C 5 py Val( 2p) 1.04140 -0.22346 68 C 5 py Ryd( 3p) 0.00380 0.82477 69 C 5 pz Val( 2p) 1.06359 -0.22641 70 C 5 pz Ryd( 3p) 0.00278 0.81599 71 C 5 dxy Ryd( 3d) 0.00107 2.17112 72 C 5 dxz Ryd( 3d) 0.00075 1.99782 73 C 5 dyz Ryd( 3d) 0.00073 2.12838 74 C 5 dx2y2 Ryd( 3d) 0.00042 1.99030 75 C 5 dz2 Ryd( 3d) 0.00095 1.98875 76 C 6 s Cor( 1s) 1.99999 -10.45086 77 C 6 s Val( 2s) 0.95153 -0.34451 78 C 6 s Ryd( 3s) 0.00281 1.11005 79 C 6 s Ryd( 4s) 0.00004 4.20647 80 C 6 px Val( 2p) 1.09116 -0.24979 81 C 6 px Ryd( 3p) 0.00400 0.86253 82 C 6 py Val( 2p) 0.97665 -0.25820 83 C 6 py Ryd( 3p) 0.00460 0.84367 84 C 6 pz Val( 2p) 0.72893 -0.30802 85 C 6 pz Ryd( 3p) 0.00486 0.65019 86 C 6 dxy Ryd( 3d) 0.00104 2.12247 87 C 6 dxz Ryd( 3d) 0.00067 1.80859 88 C 6 dyz Ryd( 3d) 0.00150 1.86745 89 C 6 dx2y2 Ryd( 3d) 0.00125 2.08241 90 C 6 dz2 Ryd( 3d) 0.00059 1.92089 91 C 7 s Cor( 1s) 1.99999 -10.43641 92 C 7 s Val( 2s) 1.03718 -0.38667 93 C 7 s Ryd( 3s) 0.00250 1.13259 94 C 7 s Ryd( 4s) 0.00004 4.12755 95 C 7 px Val( 2p) 1.16176 -0.27276 96 C 7 px Ryd( 3p) 0.00529 0.68294 97 C 7 py Val( 2p) 1.07411 -0.28432 98 C 7 py Ryd( 3p) 0.00381 0.52441 99 C 7 pz Val( 2p) 0.90273 -0.32376 100 C 7 pz Ryd( 3p) 0.00400 0.62918 101 C 7 dxy Ryd( 3d) 0.00119 1.95199 102 C 7 dxz Ryd( 3d) 0.00148 1.82747 103 C 7 dyz Ryd( 3d) 0.00091 1.82862 104 C 7 dx2y2 Ryd( 3d) 0.00092 2.03671 105 C 7 dz2 Ryd( 3d) 0.00173 1.82097 106 C 8 s Cor( 1s) 1.99999 -10.34883 107 C 8 s Val( 2s) 1.03489 -0.31982 108 C 8 s Ryd( 3s) 0.00100 1.36935 109 C 8 s Ryd( 4s) 0.00004 4.15970 110 C 8 px Val( 2p) 1.00477 -0.20484 111 C 8 px Ryd( 3p) 0.00247 0.56000 112 C 8 py Val( 2p) 1.20430 -0.23435 113 C 8 py Ryd( 3p) 0.00312 0.56495 114 C 8 pz Val( 2p) 1.23745 -0.24840 115 C 8 pz Ryd( 3p) 0.00488 0.67158 116 C 8 dxy Ryd( 3d) 0.00046 1.96754 117 C 8 dxz Ryd( 3d) 0.00024 1.83377 118 C 8 dyz Ryd( 3d) 0.00063 1.87077 119 C 8 dx2y2 Ryd( 3d) 0.00124 2.07334 120 C 8 dz2 Ryd( 3d) 0.00153 2.05795 121 C 9 s Cor( 1s) 1.99999 -10.32601 122 C 9 s Val( 2s) 0.96668 -0.26675 123 C 9 s Ryd( 3s) 0.00109 1.63895 124 C 9 s Ryd( 4s) 0.00003 4.18564 125 C 9 px Val( 2p) 1.06006 -0.18481 126 C 9 px Ryd( 3p) 0.00299 0.77417 127 C 9 py Val( 2p) 1.08184 -0.18913 128 C 9 py Ryd( 3p) 0.00296 0.80524 129 C 9 pz Val( 2p) 1.13890 -0.19693 130 C 9 pz Ryd( 3p) 0.00329 0.77161 131 C 9 dxy Ryd( 3d) 0.00090 2.15256 132 C 9 dxz Ryd( 3d) 0.00067 2.02977 133 C 9 dyz Ryd( 3d) 0.00129 2.12981 134 C 9 dx2y2 Ryd( 3d) 0.00047 1.91032 135 C 9 dz2 Ryd( 3d) 0.00057 1.93468 136 C 10 s Cor( 1s) 1.99999 -10.32706 137 C 10 s Val( 2s) 0.95795 -0.26542 138 C 10 s Ryd( 3s) 0.00119 1.63157 139 C 10 s Ryd( 4s) 0.00003 4.19892 140 C 10 px Val( 2p) 1.02616 -0.18266 141 C 10 px Ryd( 3p) 0.00297 0.82616 142 C 10 py Val( 2p) 1.10707 -0.19955 143 C 10 py Ryd( 3p) 0.00361 0.81620 144 C 10 pz Val( 2p) 1.15086 -0.20552 145 C 10 pz Ryd( 3p) 0.00404 0.85390 146 C 10 dxy Ryd( 3d) 0.00077 2.17049 147 C 10 dxz Ryd( 3d) 0.00061 2.00784 148 C 10 dyz Ryd( 3d) 0.00137 2.11472 149 C 10 dx2y2 Ryd( 3d) 0.00059 1.95786 150 C 10 dz2 Ryd( 3d) 0.00065 1.95126 151 C 11 s Cor( 1s) 1.99999 -10.29926 152 C 11 s Val( 2s) 1.02889 -0.26899 153 C 11 s Ryd( 3s) 0.00069 1.45711 154 C 11 s Ryd( 4s) 0.00004 4.18709 155 C 11 px Val( 2p) 1.07099 -0.16619 156 C 11 px Ryd( 3p) 0.00236 0.67573 157 C 11 py Val( 2p) 1.13036 -0.17739 158 C 11 py Ryd( 3p) 0.00201 0.56783 159 C 11 pz Val( 2p) 1.21709 -0.19321 160 C 11 pz Ryd( 3p) 0.00379 0.80031 161 C 11 dxy Ryd( 3d) 0.00095 2.13372 162 C 11 dxz Ryd( 3d) 0.00074 1.97508 163 C 11 dyz Ryd( 3d) 0.00153 2.10681 164 C 11 dx2y2 Ryd( 3d) 0.00035 1.90299 165 C 11 dz2 Ryd( 3d) 0.00054 1.89756 166 H 12 s Val( 1s) 0.74843 0.00275 167 H 12 s Ryd( 2s) 0.00106 0.61773 168 H 13 s Val( 1s) 0.76566 -0.01355 169 H 13 s Ryd( 2s) 0.00156 0.63220 170 C 14 s Cor( 1s) 1.99999 -10.28514 171 C 14 s Val( 2s) 1.03892 -0.26035 172 C 14 s Ryd( 3s) 0.00055 1.42889 173 C 14 s Ryd( 4s) 0.00004 4.19242 174 C 14 px Val( 2p) 1.09416 -0.15489 175 C 14 px Ryd( 3p) 0.00284 0.64651 176 C 14 py Val( 2p) 1.16558 -0.16692 177 C 14 py Ryd( 3p) 0.00358 0.71373 178 C 14 pz Val( 2p) 1.14891 -0.16406 179 C 14 pz Ryd( 3p) 0.00153 0.56689 180 C 14 dxy Ryd( 3d) 0.00117 2.10724 181 C 14 dxz Ryd( 3d) 0.00064 1.98089 182 C 14 dyz Ryd( 3d) 0.00118 2.09643 183 C 14 dx2y2 Ryd( 3d) 0.00038 1.86550 184 C 14 dz2 Ryd( 3d) 0.00070 1.94829 185 H 15 s Val( 1s) 0.73853 0.02485 186 H 15 s Ryd( 2s) 0.00096 0.56216 187 H 16 s Val( 1s) 0.76339 0.00260 188 H 16 s Ryd( 2s) 0.00156 0.58735 189 C 17 s Cor( 1s) 1.99999 -10.28295 190 C 17 s Val( 2s) 1.03831 -0.25826 191 C 17 s Ryd( 3s) 0.00054 1.41758 192 C 17 s Ryd( 4s) 0.00004 4.19836 193 C 17 px Val( 2p) 1.15368 -0.16216 194 C 17 px Ryd( 3p) 0.00272 0.61906 195 C 17 py Val( 2p) 1.10290 -0.15431 196 C 17 py Ryd( 3p) 0.00261 0.63395 197 C 17 pz Val( 2p) 1.15779 -0.16429 198 C 17 pz Ryd( 3p) 0.00269 0.66744 199 C 17 dxy Ryd( 3d) 0.00108 2.14207 200 C 17 dxz Ryd( 3d) 0.00084 2.01790 201 C 17 dyz Ryd( 3d) 0.00119 2.10735 202 C 17 dx2y2 Ryd( 3d) 0.00038 1.85343 203 C 17 dz2 Ryd( 3d) 0.00057 1.88186 204 C 18 s Cor( 1s) 1.99999 -10.29646 205 C 18 s Val( 2s) 1.03433 -0.26897 206 C 18 s Ryd( 3s) 0.00066 1.42521 207 C 18 s Ryd( 4s) 0.00004 4.18920 208 C 18 px Val( 2p) 1.05130 -0.16014 209 C 18 px Ryd( 3p) 0.00244 0.62117 210 C 18 py Val( 2p) 1.14798 -0.17627 211 C 18 py Ryd( 3p) 0.00191 0.58540 212 C 18 pz Val( 2p) 1.21106 -0.18933 213 C 18 pz Ryd( 3p) 0.00390 0.76937 214 C 18 dxy Ryd( 3d) 0.00088 2.12647 215 C 18 dxz Ryd( 3d) 0.00076 1.97282 216 C 18 dyz Ryd( 3d) 0.00158 2.10572 217 C 18 dx2y2 Ryd( 3d) 0.00044 1.90196 218 C 18 dz2 Ryd( 3d) 0.00047 1.89242 219 H 19 s Val( 1s) 0.76468 -0.01265 220 H 19 s Ryd( 2s) 0.00169 0.58955 221 H 20 s Val( 1s) 0.74490 0.00521 222 H 20 s Ryd( 2s) 0.00114 0.56247 223 H 21 s Val( 1s) 0.76195 0.00478 224 H 21 s Ryd( 2s) 0.00155 0.58793 225 H 22 s Val( 1s) 0.73796 0.02629 226 H 22 s Ryd( 2s) 0.00095 0.56425 227 H 23 s Val( 1s) 0.74467 -0.02830 228 H 23 s Ryd( 2s) 0.00233 0.63567 229 H 24 s Val( 1s) 0.74611 -0.01735 230 H 24 s Ryd( 2s) 0.00202 0.61200 231 H 25 s Val( 1s) 0.71200 -0.03188 232 H 25 s Ryd( 2s) 0.00141 0.55514 233 H 26 s Val( 1s) 0.70970 -0.03928 234 H 26 s Ryd( 2s) 0.00107 0.52814 235 H 27 s Val( 1s) 0.69139 -0.03964 236 H 27 s Ryd( 2s) 0.00129 0.43506 237 Br 28 s Cor( 1s) 2.00000 -475.14259 238 Br 28 s Cor( 2s) 2.00000 -50.45084 239 Br 28 s Cor( 3s) 1.99979 -28.32399 240 Br 28 s Val( 4s) 1.91124 -0.89364 241 Br 28 s Ryd( 5s) 0.00098 0.49514 242 Br 28 s Ryd( 6s) 0.00005 7.43809 243 Br 28 s Ryd( 8s) 0.00001 41.68725 244 Br 28 s Ryd( 7s) 0.00000 35.38913 245 Br 28 px Cor( 3p) 2.00000 -22.50872 246 Br 28 px Cor( 2p) 1.99998 -40.78103 247 Br 28 px Val( 4p) 1.91724 -0.45760 248 Br 28 px Ryd( 5p) 0.00076 0.49690 249 Br 28 py Cor( 3p) 2.00000 -22.51277 250 Br 28 py Cor( 2p) 1.99998 -40.78274 251 Br 28 py Val( 4p) 1.66192 -0.44779 252 Br 28 py Ryd( 5p) 0.00074 0.53392 253 Br 28 pz Cor( 3p) 2.00000 -22.51875 254 Br 28 pz Cor( 2p) 1.99998 -40.78527 255 Br 28 pz Val( 4p) 1.26194 -0.42351 256 Br 28 pz Ryd( 5p) 0.00134 0.51604 257 Br 28 dxy Cor( 3d) 2.00000 -2.82923 258 Br 28 dxy Ryd( 4d) 0.00068 0.46769 259 Br 28 dxz Cor( 3d) 2.00000 -2.83461 260 Br 28 dxz Ryd( 4d) 0.00174 0.58336 261 Br 28 dyz Cor( 3d) 1.99999 -2.83825 262 Br 28 dyz Ryd( 4d) 0.00321 0.69632 263 Br 28 dx2y2 Cor( 3d) 2.00000 -2.82924 264 Br 28 dx2y2 Ryd( 4d) 0.00078 0.57020 265 Br 28 dz2 Cor( 3d) 1.99999 -2.83885 266 Br 28 dz2 Ryd( 4d) 0.00319 0.71862 267 C 29 s Cor( 1s) 1.99999 -10.33279 268 C 29 s Val( 2s) 1.10518 -0.33659 269 C 29 s Ryd( 3s) 0.00073 1.29655 270 C 29 s Ryd( 4s) 0.00002 4.03196 271 C 29 px Val( 2p) 1.26894 -0.23966 272 C 29 px Ryd( 3p) 0.00216 0.62469 273 C 29 py Val( 2p) 1.17307 -0.22969 274 C 29 py Ryd( 3p) 0.00247 0.57702 275 C 29 pz Val( 2p) 1.10871 -0.21504 276 C 29 pz Ryd( 3p) 0.00203 0.51260 277 C 29 dxy Ryd( 3d) 0.00140 2.04059 278 C 29 dxz Ryd( 3d) 0.00051 1.84956 279 C 29 dyz Ryd( 3d) 0.00120 2.03162 280 C 29 dx2y2 Ryd( 3d) 0.00044 1.77830 281 C 29 dz2 Ryd( 3d) 0.00079 1.93918 282 H 30 s Val( 1s) 0.74755 -0.02911 283 H 30 s Ryd( 2s) 0.00059 0.61465 284 H 31 s Val( 1s) 0.75147 -0.03847 285 H 31 s Ryd( 2s) 0.00065 0.58135 286 H 32 s Val( 1s) 0.72491 -0.01673 287 H 32 s Ryd( 2s) 0.00056 0.59820 288 H 33 s Val( 1s) 0.74734 -0.02497 289 H 33 s Ryd( 2s) 0.00142 0.57514 290 H 34 s Val( 1s) 0.73130 -0.00818 291 H 34 s Ryd( 2s) 0.00090 0.60127 292 H 35 s Val( 1s) 0.75668 -0.01807 293 H 35 s Ryd( 2s) 0.00125 0.59216 294 H 36 s Val( 1s) 0.72402 0.00297 295 H 36 s Ryd( 2s) 0.00092 0.54033 296 H 37 s Val( 1s) 0.74982 -0.02509 297 H 37 s Ryd( 2s) 0.00150 0.56179 298 H 38 s Val( 1s) 0.72600 -0.00286 299 H 38 s Ryd( 2s) 0.00085 0.52646 300 H 39 s Val( 1s) 0.70179 -0.05567 301 H 39 s Ryd( 2s) 0.00121 0.57113 302 H 40 s Val( 1s) 0.72071 -0.03776 303 H 40 s Ryd( 2s) 0.00119 0.52540 Summary of Natural Population Analysis: Natural Population Natural --------------------------------------------- Atom No Charge Core Valence Rydberg Total -------------------------------------------------------------------- C 1 -0.51278 1.99999 4.49715 0.01563 6.51278 C 2 -0.45757 1.99999 4.44422 0.01336 6.45757 C 3 -0.47340 1.99999 4.46073 0.01268 6.47340 C 4 -0.45670 1.99999 4.44228 0.01443 6.45670 C 5 -0.09835 1.99999 4.08335 0.01501 6.09835 C 6 0.23038 1.99999 3.74827 0.02136 5.76962 C 7 -0.19763 1.99999 4.17577 0.02187 6.19763 C 8 -0.49703 1.99999 4.48142 0.01562 6.49703 C 9 -0.26173 1.99999 4.24748 0.01426 6.26173 C 10 -0.25785 1.99999 4.24203 0.01583 6.25785 C 11 -0.46032 1.99999 4.44733 0.01300 6.46032 H 12 0.25051 0.00000 0.74843 0.00106 0.74949 H 13 0.23278 0.00000 0.76566 0.00156 0.76722 C 14 -0.46019 1.99999 4.44757 0.01262 6.46019 H 15 0.26051 0.00000 0.73853 0.00096 0.73949 H 16 0.23505 0.00000 0.76339 0.00156 0.76495 C 17 -0.46533 1.99999 4.45268 0.01265 6.46533 C 18 -0.45775 1.99999 4.44467 0.01308 6.45775 H 19 0.23363 0.00000 0.76468 0.00169 0.76637 H 20 0.25396 0.00000 0.74490 0.00114 0.74604 H 21 0.23650 0.00000 0.76195 0.00155 0.76350 H 22 0.26109 0.00000 0.73796 0.00095 0.73891 H 23 0.25300 0.00000 0.74467 0.00233 0.74700 H 24 0.25187 0.00000 0.74611 0.00202 0.74813 H 25 0.28659 0.00000 0.71200 0.00141 0.71341 H 26 0.28923 0.00000 0.70970 0.00107 0.71077 H 27 0.30732 0.00000 0.69139 0.00129 0.69268 Br 28 0.23449 27.99970 6.75233 0.01347 34.76551 C 29 -0.66764 1.99999 4.65589 0.01175 6.66764 H 30 0.25187 0.00000 0.74755 0.00059 0.74813 H 31 0.24788 0.00000 0.75147 0.00065 0.75212 H 32 0.27454 0.00000 0.72491 0.00056 0.72546 H 33 0.25125 0.00000 0.74734 0.00142 0.74875 H 34 0.26780 0.00000 0.73130 0.00090 0.73220 H 35 0.24207 0.00000 0.75668 0.00125 0.75793 H 36 0.27506 0.00000 0.72402 0.00092 0.72494 H 37 0.24868 0.00000 0.74982 0.00150 0.75132 H 38 0.27316 0.00000 0.72600 0.00085 0.72684 H 39 0.29700 0.00000 0.70179 0.00121 0.70300 H 40 0.27810 0.00000 0.72071 0.00119 0.72190 ==================================================================== * Total * 1.00000 57.99961 89.73414 0.26625 148.00000 Natural Population --------------------------------------------------------- Core 57.99961 ( 99.9993% of 58) Valence 89.73414 ( 99.7046% of 90) Natural Minimal Basis 147.73375 ( 99.8201% of 148) Natural Rydberg Basis 0.26625 ( 0.1799% of 148) --------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- C 1 [core]2s( 1.04)2p( 3.46)3p( 0.01) C 2 [core]2s( 1.04)2p( 3.40)3p( 0.01) C 3 [core]2s( 1.04)2p( 3.42)3p( 0.01) C 4 [core]2s( 1.03)2p( 3.41)3p( 0.01) C 5 [core]2s( 0.91)2p( 3.17)3p( 0.01) C 6 [core]2s( 0.95)2p( 2.80)3p( 0.01)3d( 0.01) C 7 [core]2s( 1.04)2p( 3.14)3p( 0.01)3d( 0.01) C 8 [core]2s( 1.03)2p( 3.45)3p( 0.01) C 9 [core]2s( 0.97)2p( 3.28)3p( 0.01) C 10 [core]2s( 0.96)2p( 3.28)3p( 0.01) C 11 [core]2s( 1.03)2p( 3.42)3p( 0.01) H 12 1s( 0.75) H 13 1s( 0.77) C 14 [core]2s( 1.04)2p( 3.41)3p( 0.01) H 15 1s( 0.74) H 16 1s( 0.76) C 17 [core]2s( 1.04)2p( 3.41)3p( 0.01) C 18 [core]2s( 1.03)2p( 3.41)3p( 0.01) H 19 1s( 0.76) H 20 1s( 0.74) H 21 1s( 0.76) H 22 1s( 0.74) H 23 1s( 0.74) H 24 1s( 0.75) H 25 1s( 0.71) H 26 1s( 0.71) H 27 1s( 0.69) Br 28 [core]4s( 1.91)4p( 4.84)4d( 0.01) C 29 [core]2s( 1.11)2p( 3.55)3p( 0.01) H 30 1s( 0.75) H 31 1s( 0.75) H 32 1s( 0.72) H 33 1s( 0.75) H 34 1s( 0.73) H 35 1s( 0.76) H 36 1s( 0.72) H 37 1s( 0.75) H 38 1s( 0.73) H 39 1s( 0.70) H 40 1s( 0.72) NATURAL BOND ORBITAL ANALYSIS: Occupancies Lewis Structure Low High Max Occ ------------------- ----------------- occ occ Cycle Ctr Thresh Lewis non-Lewis CR BD nC LP (L) (NL) ============================================================================ 1 2 1.90 146.40937 1.59063 29 42 0 3 1 2 2 2 1.88 146.77181 1.22819 29 43 0 2 0 2 3 2 1.76 145.74398 2.25602 29 41 0 4 1 2 4 2 1.75 146.47096 1.52904 29 42 0 3 0 1 5 2 1.88 146.77181 1.22819 29 43 0 2 0 2 ---------------------------------------------------------------------------- Structure accepted: No low occupancy Lewis orbitals ------------------------------------------------------- Core 57.99961 ( 99.999% of 58) Valence Lewis 88.77220 ( 98.636% of 90) ================== ============================= Total Lewis 146.77181 ( 99.170% of 148) ----------------------------------------------------- Valence non-Lewis 1.04841 ( 0.708% of 148) Rydberg non-Lewis 0.17978 ( 0.121% of 148) ================== ============================= Total non-Lewis 1.22819 ( 0.830% of 148) ------------------------------------------------------- (Occupancy) Bond orbital / Coefficients / Hybrids ------------------ Lewis ------------------------------------------------------ 1. (1.99999) CR ( 1) C 1 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 2. (1.99999) CR ( 1) C 2 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 3. (1.99999) CR ( 1) C 3 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 4. (1.99999) CR ( 1) C 4 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 5. (1.99999) CR ( 1) C 5 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6. (1.99999) CR ( 1) C 6 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 7. (1.99999) CR ( 1) C 7 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 8. (1.99999) CR ( 1) C 8 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 9. (1.99999) CR ( 1) C 9 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 10. (1.99999) CR ( 1) C 10 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 11. (1.99999) CR ( 1) C 11 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 12. (1.99999) CR ( 1) C 14 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 13. (1.99999) CR ( 1) C 17 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14. (1.99999) CR ( 1) C 18 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 15. (2.00000) CR ( 1)Br 28 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 16. (2.00000) CR ( 2)Br 28 s(100.00%) 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 17. (1.99979) CR ( 3)Br 28 s(100.00%) 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 18. (2.00000) CR ( 4)Br 28 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 19. (1.99998) CR ( 5)Br 28 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 20. (2.00000) CR ( 6)Br 28 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 21. (1.99998) CR ( 7)Br 28 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 22. (2.00000) CR ( 8)Br 28 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 23. (1.99998) CR ( 9)Br 28 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 24. (2.00000) CR (10)Br 28 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 25. (2.00000) CR (11)Br 28 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 26. (1.99999) CR (12)Br 28 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 27. (2.00000) CR (13)Br 28 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 28. (1.99999) CR (14)Br 28 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 29. (1.99999) CR ( 1) C 29 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 30. (1.99614) LP ( 1)Br 28 s( 91.31%)p 0.10( 8.69%)d 0.00( 0.00%) 0.0000 0.0000 0.0000 0.9556 0.0026 -0.0001 -0.0002 0.0000 0.0000 0.0000 0.0696 0.0008 0.0000 0.0000 0.1067 0.0008 0.0000 0.0000 0.2657 0.0042 0.0000 0.0016 0.0000 0.0000 0.0000 0.0007 0.0000 0.0015 0.0000 0.0012 31. (1.98054) LP ( 2)Br 28 s( 0.00%)p 1.00( 99.95%)d 0.00( 0.05%) 0.0000 0.0000 0.0000 0.0037 0.0013 -0.0002 0.0004 0.0000 0.0000 0.0000 -0.9171 0.0122 0.0000 0.0000 -0.2347 0.0029 0.0000 0.0000 0.3212 -0.0033 0.0000 -0.0113 0.0000 -0.0158 0.0000 -0.0012 0.0000 -0.0004 0.0000 0.0095 32. (1.96782) BD ( 1) C 1- C 2 ( 52.98%) 0.7278* C 1 s( 27.95%)p 2.58( 72.01%)d 0.00( 0.04%) 0.0000 0.5286 -0.0061 -0.0022 -0.3532 -0.0266 0.4354 -0.0141 -0.6363 0.0048 -0.0064 0.0056 -0.0149 -0.0034 0.0101 ( 47.02%) 0.6857* C 2 s( 25.01%)p 3.00( 74.93%)d 0.00( 0.06%) 0.0000 0.5001 -0.0074 -0.0024 0.3581 -0.0200 -0.4424 -0.0112 0.6515 0.0181 -0.0094 0.0145 -0.0156 -0.0005 0.0075 33. (1.98089) BD ( 1) C 1- C 6 ( 46.96%) 0.6853* C 1 s( 26.35%)p 2.79( 73.57%)d 0.00( 0.08%) 0.0000 0.5132 -0.0133 -0.0019 0.8209 0.0125 -0.1897 -0.0158 -0.1595 0.0050 -0.0092 -0.0076 0.0020 0.0225 -0.0125 ( 53.04%) 0.7283* C 6 s( 33.29%)p 2.00( 66.65%)d 0.00( 0.05%) 0.0000 0.5770 -0.0050 -0.0001 -0.7918 -0.0065 0.1581 -0.0041 0.1202 0.0101 -0.0048 -0.0058 -0.0008 0.0179 -0.0127 34. (1.92841) BD ( 1) C 1- H 39 ( 64.15%) 0.8009* C 1 s( 21.38%)p 3.67( 78.52%)d 0.00( 0.09%) 0.0000 0.4623 0.0105 0.0018 -0.0320 -0.0245 0.4892 -0.0148 0.7376 0.0055 0.0029 0.0064 0.0246 -0.0062 0.0160 ( 35.85%) 0.5988* H 39 s(100.00%) 1.0000 0.0029 35. (1.97936) BD ( 1) C 1- H 40 ( 63.94%) 0.7996* C 1 s( 24.27%)p 3.12( 75.65%)d 0.00( 0.08%) 0.0000 0.4926 0.0046 0.0017 -0.4452 -0.0113 -0.7301 0.0237 0.1566 0.0070 0.0181 -0.0058 -0.0086 -0.0147 -0.0132 ( 36.06%) 0.6005* H 40 s(100.00%) 1.0000 0.0021 36. (1.98494) BD ( 1) C 2- C 3 ( 50.58%) 0.7112* C 2 s( 27.68%)p 2.61( 72.27%)d 0.00( 0.05%) 0.0000 0.5261 -0.0062 -0.0025 0.4747 -0.0179 0.6736 0.0181 -0.2070 -0.0109 0.0186 -0.0038 -0.0057 -0.0028 -0.0102 ( 49.42%) 0.7030* C 3 s( 26.73%)p 2.74( 73.22%)d 0.00( 0.05%) 0.0000 0.5169 -0.0071 0.0024 -0.4773 -0.0271 -0.6777 0.0039 0.2106 -0.0073 0.0163 -0.0053 -0.0090 -0.0086 -0.0098 37. (1.98021) BD ( 1) C 2- H 37 ( 62.59%) 0.7911* C 2 s( 23.13%)p 3.32( 76.78%)d 0.00( 0.09%) 0.0000 0.4809 0.0089 0.0022 -0.0765 -0.0257 -0.5341 0.0100 -0.6898 0.0012 0.0014 0.0020 0.0250 -0.0111 0.0114 ( 37.41%) 0.6116* H 37 s(100.00%) 1.0000 0.0029 38. (1.97951) BD ( 1) C 2- H 38 ( 63.61%) 0.7975* C 2 s( 24.11%)p 3.14( 75.81%)d 0.00( 0.08%) 0.0000 0.4910 0.0017 0.0017 -0.7993 0.0066 0.2523 -0.0095 0.2348 -0.0181 -0.0124 -0.0143 0.0038 0.0187 -0.0100 ( 36.39%) 0.6033* H 38 s(100.00%) 1.0000 0.0013 39. (1.98495) BD ( 1) C 3- C 4 ( 49.14%) 0.7010* C 3 s( 26.72%)p 2.74( 73.23%)d 0.00( 0.05%) 0.0000 0.5168 -0.0073 0.0021 0.8132 0.0098 -0.2232 0.0179 -0.1429 -0.0187 -0.0122 -0.0054 0.0010 0.0155 -0.0113 ( 50.86%) 0.7132* C 4 s( 27.75%)p 2.60( 72.21%)d 0.00( 0.05%) 0.0000 0.5267 -0.0091 -0.0025 -0.8056 -0.0044 0.2041 0.0212 0.1749 -0.0175 -0.0074 -0.0094 0.0015 0.0163 -0.0088 40. (1.98105) BD ( 1) C 3- H 35 ( 62.23%) 0.7889* C 3 s( 23.01%)p 3.34( 76.91%)d 0.00( 0.09%) 0.0000 0.4796 0.0089 -0.0020 -0.0295 -0.0113 0.5885 0.0140 0.6490 -0.0193 -0.0007 -0.0011 0.0254 -0.0107 0.0108 ( 37.77%) 0.6145* H 35 s(100.00%) 1.0000 0.0022 41. (1.97485) BD ( 1) C 3- H 36 ( 63.63%) 0.7977* C 3 s( 23.49%)p 3.25( 76.43%)d 0.00( 0.08%) 0.0000 0.4847 0.0028 -0.0018 -0.3293 0.0023 0.3787 0.0067 -0.7156 0.0197 -0.0075 0.0151 -0.0171 -0.0007 0.0152 ( 36.37%) 0.6030* H 36 s(100.00%) 1.0000 0.0014 42. (1.95937) BD ( 1) C 4- C 5 ( 46.70%) 0.6834* C 4 s( 25.98%)p 2.85( 73.96%)d 0.00( 0.06%) 0.0000 0.5097 -0.0041 -0.0024 0.3560 0.0118 -0.4550 0.0039 0.6369 0.0000 -0.0088 0.0126 -0.0176 -0.0026 0.0079 ( 53.30%) 0.7301* C 5 s( 25.91%)p 2.86( 74.04%)d 0.00( 0.04%) 0.0000 0.5091 0.0001 0.0000 -0.3697 0.0207 0.4669 -0.0028 -0.6207 -0.0050 -0.0082 0.0150 -0.0109 0.0012 0.0027 43. (1.97978) BD ( 1) C 4- H 33 ( 62.66%) 0.7916* C 4 s( 22.67%)p 3.41( 77.24%)d 0.00( 0.09%) 0.0000 0.4761 0.0074 0.0021 0.0310 0.0038 -0.4757 0.0228 -0.7379 -0.0105 -0.0016 -0.0015 0.0245 -0.0086 0.0149 ( 37.34%) 0.6110* H 33 s(100.00%) 1.0000 0.0024 44. (1.97884) BD ( 1) C 4- H 34 ( 63.36%) 0.7960* C 4 s( 23.52%)p 3.25( 76.39%)d 0.00( 0.08%) 0.0000 0.4850 0.0024 0.0018 0.4713 -0.0110 0.7235 -0.0060 -0.1340 -0.0183 0.0229 -0.0031 -0.0054 -0.0093 -0.0139 ( 36.64%) 0.6053* H 34 s(100.00%) 1.0000 0.0013 45. (1.97214) BD ( 1) C 5- C 6 ( 47.56%) 0.6896* C 5 s( 24.33%)p 3.11( 75.59%)d 0.00( 0.08%) 0.0000 0.4932 -0.0062 -0.0017 -0.5237 -0.0054 -0.6577 -0.0107 0.2213 -0.0058 0.0221 -0.0087 -0.0103 -0.0034 -0.0097 ( 52.44%) 0.7242* C 6 s( 34.35%)p 1.91( 65.59%)d 0.00( 0.06%) 0.0000 0.5861 0.0040 -0.0004 0.4993 -0.0069 0.5733 -0.0024 -0.2791 -0.0021 0.0162 -0.0096 -0.0103 -0.0004 -0.0106 46. (1.96492) BD ( 1) C 5- C 10 ( 52.59%) 0.7252* C 5 s( 27.22%)p 2.67( 72.74%)d 0.00( 0.04%) 0.0000 0.5217 -0.0004 0.0000 0.7594 -0.0135 -0.2974 0.0128 -0.2487 -0.0110 -0.0133 -0.0070 0.0046 0.0086 -0.0097 ( 47.41%) 0.6885* C 10 s( 25.69%)p 2.89( 74.25%)d 0.00( 0.06%) 0.0000 0.5068 -0.0081 -0.0011 -0.7466 0.0042 0.3272 0.0064 0.2791 -0.0116 -0.0122 -0.0122 0.0046 0.0142 -0.0083 47. (1.91224) BD ( 1) C 5- C 29 ( 52.97%) 0.7278* C 5 s( 22.52%)p 3.44( 77.43%)d 0.00( 0.05%) 0.0000 0.4745 0.0045 0.0011 0.1059 0.0106 0.5094 0.0137 0.7094 -0.0050 -0.0001 -0.0025 0.0139 -0.0041 0.0173 ( 47.03%) 0.6858* C 29 s( 26.57%)p 2.76( 73.36%)d 0.00( 0.07%) 0.0000 0.5155 -0.0010 -0.0033 -0.1018 0.0023 -0.4972 0.0056 -0.6899 -0.0034 0.0050 0.0041 0.0208 -0.0074 0.0112 48. (1.98177) BD ( 1) C 6- C 7 ( 50.57%) 0.7111* C 6 s( 31.39%)p 2.18( 68.53%)d 0.00( 0.08%) 0.0000 0.5602 -0.0091 -0.0002 0.3179 -0.0072 -0.6951 -0.0036 0.3171 0.0220 -0.0158 0.0047 -0.0115 -0.0169 -0.0114 ( 49.43%) 0.7031* C 7 s( 30.58%)p 2.27( 69.32%)d 0.00( 0.10%) 0.0000 0.5528 -0.0133 -0.0012 -0.2837 -0.0150 0.7662 0.0142 -0.1578 0.0188 -0.0178 0.0084 -0.0160 -0.0168 -0.0092 49. (1.88614) BD ( 1) C 6-Br 28 ( 22.27%) 0.4719* C 6 s( 1.27%)p77.47( 98.57%)d 0.13( 0.16%) 0.0000 -0.0928 -0.0638 -0.0060 0.1481 -0.0086 0.3993 -0.0623 0.8921 -0.0672 -0.0018 -0.0009 -0.0348 0.0166 -0.0106 ( 77.73%) 0.8816*Br 28 s( 2.36%)p41.34( 97.44%)d 0.08( 0.20%) 0.0000 0.0000 0.0000 0.1534 -0.0052 0.0002 0.0014 0.0002 0.0000 0.0000 0.1683 -0.0032 0.0000 0.0000 -0.9486 0.0002 0.0000 0.0000 -0.2145 -0.0142 0.0000 -0.0035 0.0000 -0.0054 0.0000 -0.0373 0.0000 0.0197 0.0000 -0.0132 50. (1.98474) BD ( 1) C 7- C 8 ( 53.31%) 0.7301* C 7 s( 33.95%)p 1.94( 66.00%)d 0.00( 0.05%) 0.0000 0.5826 -0.0115 -0.0016 0.7976 -0.0001 -0.1030 -0.0298 0.1078 0.0257 -0.0029 0.0026 -0.0021 0.0181 -0.0122 ( 46.69%) 0.6833* C 8 s( 25.87%)p 2.86( 74.06%)d 0.00( 0.07%) 0.0000 0.5083 -0.0186 -0.0016 -0.8292 -0.0212 0.1348 -0.0140 -0.1850 -0.0014 -0.0062 0.0078 -0.0003 0.0214 -0.0116 51. (1.98145) BD ( 1) C 7- H 27 ( 65.64%) 0.8102* C 7 s( 28.28%)p 2.53( 71.63%)d 0.00( 0.09%) 0.0000 0.5318 0.0017 0.0020 -0.5144 0.0206 -0.4756 -0.0088 0.4743 0.0042 0.0180 -0.0180 -0.0154 0.0042 -0.0054 ( 34.36%) 0.5862* H 27 s(100.00%) 1.0000 0.0042 52. (1.92918) BD ( 1) C 7-Br 28 ( 37.60%) 0.6131* C 7 s( 7.32%)p12.65( 92.52%)d 0.02( 0.16%) 0.0000 -0.2650 -0.0541 -0.0012 0.1317 -0.0031 0.4158 0.0015 0.8561 -0.0449 -0.0018 -0.0180 -0.0179 0.0048 -0.0308 ( 62.40%) 0.7900*Br 28 s( 6.32%)p14.75( 93.31%)d 0.06( 0.36%) 0.0000 0.0000 0.0000 0.2508 -0.0185 0.0010 0.0006 0.0002 0.0000 0.0000 -0.3533 -0.0060 0.0000 0.0000 0.1795 -0.0017 0.0000 0.0000 -0.8805 -0.0272 0.0000 -0.0058 0.0000 -0.0257 0.0000 -0.0258 0.0000 0.0028 0.0000 -0.0475 53. (1.97996) BD ( 1) C 8- C 9 ( 51.58%) 0.7182* C 8 s( 29.00%)p 2.45( 70.96%)d 0.00( 0.04%) 0.0000 0.5385 -0.0051 -0.0020 0.4972 0.0092 0.6058 -0.0077 -0.3083 0.0123 0.0133 -0.0064 -0.0114 -0.0059 -0.0060 ( 48.42%) 0.6959* C 9 s( 25.05%)p 2.99( 74.89%)d 0.00( 0.06%) 0.0000 0.5004 -0.0114 -0.0014 -0.5486 0.0098 -0.6055 -0.0062 0.2844 0.0175 0.0185 -0.0085 -0.0092 -0.0007 -0.0084 54. (1.96773) BD ( 1) C 8- H 25 ( 64.21%) 0.8013* C 8 s( 22.93%)p 3.36( 76.98%)d 0.00( 0.08%) 0.0000 0.4788 0.0086 0.0015 0.2367 0.0049 -0.7822 0.0039 -0.3188 0.0173 -0.0071 -0.0013 0.0166 -0.0205 -0.0087 ( 35.79%) 0.5982* H 25 s(100.00%) 1.0000 0.0028 55. (1.95155) BD ( 1) C 8- H 26 ( 63.97%) 0.7998* C 8 s( 22.21%)p 3.50( 77.70%)d 0.00( 0.09%) 0.0000 0.4712 0.0090 0.0015 0.0857 0.0127 -0.0431 -0.0127 0.8760 -0.0087 -0.0016 -0.0018 -0.0028 0.0008 0.0296 ( 36.03%) 0.6002* H 26 s(100.00%) 1.0000 0.0016 56. (1.97450) BD ( 1) C 9- C 10 ( 49.72%) 0.7051* C 9 s( 26.25%)p 2.81( 73.70%)d 0.00( 0.05%) 0.0000 0.5124 -0.0007 -0.0008 -0.3830 0.0047 0.4937 0.0007 -0.5887 -0.0020 -0.0105 0.0122 -0.0151 -0.0013 0.0037 ( 50.28%) 0.7091* C 10 s( 25.92%)p 2.86( 74.03%)d 0.00( 0.05%) 0.0000 0.5091 -0.0037 -0.0011 0.3447 0.0043 -0.5124 -0.0029 0.5991 -0.0009 -0.0083 0.0100 -0.0172 -0.0040 0.0054 57. (1.97587) BD ( 1) C 9- C 18 ( 52.27%) 0.7230* C 9 s( 27.05%)p 2.70( 72.91%)d 0.00( 0.04%) 0.0000 0.5200 -0.0056 -0.0013 0.7098 -0.0011 -0.3588 -0.0054 -0.3104 0.0140 -0.0128 -0.0108 0.0053 0.0083 -0.0057 ( 47.73%) 0.6909* C 18 s( 26.40%)p 2.79( 73.54%)d 0.00( 0.06%) 0.0000 0.5137 -0.0078 -0.0022 -0.7195 -0.0048 0.3548 -0.0045 0.3026 0.0159 -0.0148 -0.0121 0.0058 0.0107 -0.0079 58. (1.97327) BD ( 1) C 9- H 24 ( 62.82%) 0.7926* C 9 s( 21.65%)p 3.62( 78.26%)d 0.00( 0.09%) 0.0000 0.4650 0.0139 0.0028 0.2186 0.0042 0.5095 -0.0116 0.6893 -0.0010 0.0066 0.0093 0.0235 -0.0077 0.0127 ( 37.18%) 0.6098* H 24 s(100.00%) 1.0000 0.0038 59. (1.97658) BD ( 1) C 10- C 11 ( 52.27%) 0.7230* C 10 s( 27.07%)p 2.69( 72.89%)d 0.00( 0.04%) 0.0000 0.5202 -0.0072 -0.0011 0.5420 -0.0083 0.6208 0.0019 -0.2227 -0.0102 0.0166 -0.0055 -0.0069 -0.0016 -0.0083 ( 47.73%) 0.6909* C 11 s( 26.39%)p 2.79( 73.55%)d 0.00( 0.06%) 0.0000 0.5137 -0.0075 -0.0023 -0.5706 -0.0111 -0.5896 -0.0018 0.2491 -0.0071 0.0185 -0.0083 -0.0086 -0.0013 -0.0094 60. (1.96911) BD ( 1) C 10- H 23 ( 62.96%) 0.7935* C 10 s( 21.34%)p 3.68( 78.57%)d 0.00( 0.09%) 0.0000 0.4617 0.0145 0.0027 -0.1710 0.0092 -0.4938 0.0088 -0.7158 -0.0027 0.0059 0.0091 0.0240 -0.0069 0.0139 ( 37.04%) 0.6086* H 23 s(100.00%) 1.0000 0.0050 61. (1.98140) BD ( 1) C 11- H 12 ( 62.55%) 0.7909* C 11 s( 23.46%)p 3.26( 76.45%)d 0.00( 0.09%) 0.0000 0.4844 0.0024 0.0018 -0.3608 0.0162 0.5130 0.0076 -0.6089 0.0103 -0.0123 0.0152 -0.0206 -0.0036 0.0066 ( 37.45%) 0.6119* H 12 s(100.00%) 1.0000 0.0012 62. (1.98105) BD ( 1) C 11- H 13 ( 61.84%) 0.7864* C 11 s( 22.55%)p 3.43( 77.36%)d 0.00( 0.09%) 0.0000 0.4747 0.0088 0.0019 0.2004 0.0024 0.5097 0.0184 0.6878 -0.0159 0.0068 0.0089 0.0232 -0.0068 0.0138 ( 38.16%) 0.6178* H 13 s(100.00%) 1.0000 0.0028 63. (1.98145) BD ( 1) C 11- C 14 ( 51.42%) 0.7171* C 11 s( 27.55%)p 2.63( 72.41%)d 0.00( 0.05%) 0.0000 0.5248 -0.0068 -0.0022 0.7091 0.0047 -0.3577 0.0200 -0.3043 -0.0152 -0.0142 -0.0103 0.0058 0.0076 -0.0075 ( 48.58%) 0.6970* C 14 s( 26.37%)p 2.79( 73.58%)d 0.00( 0.06%) 0.0000 0.5134 -0.0082 -0.0023 -0.7188 -0.0033 0.3506 0.0255 0.3089 -0.0107 -0.0128 -0.0136 0.0055 0.0116 -0.0061 64. (1.98037) BD ( 1) C 14- H 15 ( 63.00%) 0.7937* C 14 s( 23.65%)p 3.22( 76.26%)d 0.00( 0.08%) 0.0000 0.4864 0.0020 0.0018 0.5599 -0.0074 0.6322 -0.0158 -0.2216 -0.0105 0.0231 -0.0077 -0.0088 -0.0037 -0.0120 ( 37.00%) 0.6082* H 15 s(100.00%) 1.0000 0.0014 65. (1.98164) BD ( 1) C 14- H 16 ( 61.93%) 0.7869* C 14 s( 22.69%)p 3.40( 77.22%)d 0.00( 0.09%) 0.0000 0.4763 0.0095 0.0021 -0.1927 0.0182 -0.4504 0.0158 -0.7291 -0.0088 0.0065 0.0106 0.0222 -0.0054 0.0147 ( 38.07%) 0.6170* H 16 s(100.00%) 1.0000 0.0028 66. (1.98505) BD ( 1) C 14- C 17 ( 50.09%) 0.7077* C 14 s( 27.23%)p 2.67( 72.72%)d 0.00( 0.05%) 0.0000 0.5218 -0.0061 -0.0024 0.3619 0.0271 -0.5222 0.0006 0.5682 -0.0054 -0.0090 0.0095 -0.0169 -0.0045 0.0055 ( 49.91%) 0.7065* C 17 s( 27.03%)p 2.70( 72.92%)d 0.00( 0.05%) 0.0000 0.5198 -0.0063 -0.0023 -0.3552 0.0202 0.5249 0.0089 -0.5716 -0.0161 -0.0108 0.0124 -0.0154 -0.0019 0.0025 67. (1.98367) BD ( 1) C 17- C 18 ( 48.91%) 0.6994* C 17 s( 26.59%)p 2.76( 73.35%)d 0.00( 0.05%) 0.0000 0.5156 -0.0084 -0.0023 -0.5553 0.0133 -0.5935 -0.0239 0.2686 0.0069 0.0183 -0.0080 -0.0083 0.0012 -0.0089 ( 51.09%) 0.7148* C 18 s( 27.81%)p 2.59( 72.14%)d 0.00( 0.05%) 0.0000 0.5273 -0.0082 -0.0023 0.5552 0.0217 0.5862 -0.0144 -0.2623 0.0040 0.0165 -0.0071 -0.0084 -0.0037 -0.0084 68. (1.98110) BD ( 1) C 17- H 21 ( 61.98%) 0.7873* C 17 s( 22.66%)p 3.41( 77.25%)d 0.00( 0.09%) 0.0000 0.4760 0.0098 0.0021 0.2766 0.0220 0.4674 -0.0090 0.6905 -0.0095 0.0079 0.0114 0.0219 -0.0055 0.0136 ( 38.02%) 0.6166* H 21 s(100.00%) 1.0000 0.0028 69. (1.97987) BD ( 1) C 17- H 22 ( 63.03%) 0.7939* C 17 s( 23.66%)p 3.22( 76.25%)d 0.00( 0.08%) 0.0000 0.4864 0.0022 0.0018 0.6981 -0.0020 -0.3900 0.0137 -0.3502 0.0153 -0.0181 -0.0160 0.0094 0.0100 -0.0073 ( 36.97%) 0.6081* H 22 s(100.00%) 1.0000 0.0014 70. (1.98122) BD ( 1) C 18- H 19 ( 61.88%) 0.7866* C 18 s( 22.39%)p 3.46( 77.52%)d 0.00( 0.09%) 0.0000 0.4731 0.0096 0.0020 -0.2065 0.0188 -0.5308 -0.0135 -0.6709 0.0087 0.0084 0.0108 0.0235 -0.0067 0.0108 ( 38.12%) 0.6174* H 19 s(100.00%) 1.0000 0.0032 71. (1.98123) BD ( 1) C 18- H 20 ( 62.73%) 0.7920* C 18 s( 23.35%)p 3.28( 76.57%)d 0.00( 0.09%) 0.0000 0.4832 0.0032 0.0019 0.3607 0.0037 -0.4974 -0.0031 0.6227 -0.0201 -0.0113 0.0140 -0.0210 -0.0042 0.0089 ( 37.27%) 0.6105* H 20 s(100.00%) 1.0000 0.0017 72. (1.99009) BD ( 1) C 29- H 30 ( 62.63%) 0.7914* C 29 s( 24.89%)p 3.01( 75.02%)d 0.00( 0.09%) 0.0000 0.4989 -0.0002 0.0008 -0.7467 0.0116 0.3885 0.0146 0.2026 0.0167 -0.0191 -0.0097 0.0051 0.0154 -0.0126 ( 37.37%) 0.6113* H 30 s(100.00%) 1.0000 0.0004 73. (1.99010) BD ( 1) C 29- H 31 ( 62.39%) 0.7899* C 29 s( 24.76%)p 3.04( 75.15%)d 0.00( 0.09%) 0.0000 0.4976 0.0009 0.0009 0.2687 0.0027 -0.4743 0.0203 0.6736 0.0150 -0.0087 0.0122 -0.0224 -0.0067 0.0115 ( 37.61%) 0.6132* H 31 s(100.00%) 1.0000 0.0004 74. (1.97616) BD ( 1) C 29- H 32 ( 63.54%) 0.7971* C 29 s( 23.67%)p 3.22( 76.25%)d 0.00( 0.08%) 0.0000 0.4865 -0.0012 0.0008 0.5988 -0.0055 0.6129 0.0069 -0.1669 0.0196 0.0236 -0.0084 -0.0080 0.0004 -0.0114 ( 36.46%) 0.6038* H 32 s(100.00%) 1.0000 0.0007 ---------------- non-Lewis ---------------------------------------------------- 75. (0.01443) BD*( 1) C 1- C 2 ( 47.02%) 0.6857* C 1 s( 27.95%)p 2.58( 72.01%)d 0.00( 0.04%) 0.0000 -0.5286 0.0061 0.0022 0.3532 0.0266 -0.4354 0.0141 0.6363 -0.0048 0.0064 -0.0056 0.0149 0.0034 -0.0101 ( 52.98%) -0.7278* C 2 s( 25.01%)p 3.00( 74.93%)d 0.00( 0.06%) 0.0000 -0.5001 0.0074 0.0024 -0.3581 0.0200 0.4424 0.0112 -0.6515 -0.0181 0.0094 -0.0145 0.0156 0.0005 -0.0075 76. (0.02303) BD*( 1) C 1- C 6 ( 53.04%) 0.7283* C 1 s( 26.35%)p 2.79( 73.57%)d 0.00( 0.08%) 0.0000 -0.5132 0.0133 0.0019 -0.8209 -0.0125 0.1897 0.0158 0.1595 -0.0050 0.0092 0.0076 -0.0020 -0.0225 0.0125 ( 46.96%) -0.6853* C 6 s( 33.29%)p 2.00( 66.65%)d 0.00( 0.05%) 0.0000 -0.5770 0.0050 0.0001 0.7918 0.0065 -0.1581 0.0041 -0.1202 -0.0101 0.0048 0.0058 0.0008 -0.0179 0.0127 77. (0.01618) BD*( 1) C 1- H 39 ( 35.85%) 0.5988* C 1 s( 21.38%)p 3.67( 78.52%)d 0.00( 0.09%) 0.0000 -0.4623 -0.0105 -0.0018 0.0320 0.0245 -0.4892 0.0148 -0.7376 -0.0055 -0.0029 -0.0064 -0.0246 0.0062 -0.0160 ( 64.15%) -0.8009* H 39 s(100.00%) -1.0000 -0.0029 78. (0.01079) BD*( 1) C 1- H 40 ( 36.06%) 0.6005* C 1 s( 24.27%)p 3.12( 75.65%)d 0.00( 0.08%) 0.0000 -0.4926 -0.0046 -0.0017 0.4452 0.0113 0.7301 -0.0237 -0.1566 -0.0070 -0.0181 0.0058 0.0086 0.0147 0.0132 ( 63.94%) -0.7996* H 40 s(100.00%) -1.0000 -0.0021 79. (0.01259) BD*( 1) C 2- C 3 ( 49.42%) 0.7030* C 2 s( 27.68%)p 2.61( 72.27%)d 0.00( 0.05%) 0.0000 0.5261 -0.0062 -0.0025 0.4747 -0.0179 0.6736 0.0181 -0.2070 -0.0109 0.0186 -0.0038 -0.0057 -0.0028 -0.0102 ( 50.58%) -0.7112* C 3 s( 26.73%)p 2.74( 73.22%)d 0.00( 0.05%) 0.0000 0.5169 -0.0071 0.0024 -0.4773 -0.0271 -0.6777 0.0039 0.2106 -0.0073 0.0163 -0.0053 -0.0090 -0.0086 -0.0098 80. (0.01446) BD*( 1) C 2- H 37 ( 37.41%) 0.6116* C 2 s( 23.13%)p 3.32( 76.78%)d 0.00( 0.09%) 0.0000 -0.4809 -0.0089 -0.0022 0.0765 0.0257 0.5341 -0.0100 0.6898 -0.0012 -0.0014 -0.0020 -0.0250 0.0111 -0.0114 ( 62.59%) -0.7911* H 37 s(100.00%) -1.0000 -0.0029 81. (0.00884) BD*( 1) C 2- H 38 ( 36.39%) 0.6033* C 2 s( 24.11%)p 3.14( 75.81%)d 0.00( 0.08%) 0.0000 -0.4910 -0.0017 -0.0017 0.7993 -0.0066 -0.2523 0.0095 -0.2348 0.0181 0.0124 0.0143 -0.0038 -0.0187 0.0100 ( 63.61%) -0.7975* H 38 s(100.00%) -1.0000 -0.0013 82. (0.01177) BD*( 1) C 3- C 4 ( 50.86%) 0.7132* C 3 s( 26.72%)p 2.74( 73.23%)d 0.00( 0.05%) 0.0000 -0.5168 0.0073 -0.0021 -0.8132 -0.0098 0.2232 -0.0179 0.1429 0.0187 0.0122 0.0054 -0.0010 -0.0155 0.0113 ( 49.14%) -0.7010* C 4 s( 27.75%)p 2.60( 72.21%)d 0.00( 0.05%) 0.0000 -0.5267 0.0091 0.0025 0.8056 0.0044 -0.2041 -0.0212 -0.1749 0.0175 0.0074 0.0094 -0.0015 -0.0163 0.0088 83. (0.01365) BD*( 1) C 3- H 35 ( 37.77%) 0.6145* C 3 s( 23.01%)p 3.34( 76.91%)d 0.00( 0.09%) 0.0000 -0.4796 -0.0089 0.0020 0.0295 0.0113 -0.5885 -0.0140 -0.6490 0.0193 0.0007 0.0011 -0.0254 0.0107 -0.0108 ( 62.23%) -0.7889* H 35 s(100.00%) -1.0000 -0.0022 84. (0.00918) BD*( 1) C 3- H 36 ( 36.37%) 0.6030* C 3 s( 23.49%)p 3.25( 76.43%)d 0.00( 0.08%) 0.0000 -0.4847 -0.0028 0.0018 0.3293 -0.0023 -0.3787 -0.0067 0.7156 -0.0197 0.0075 -0.0151 0.0171 0.0007 -0.0152 ( 63.63%) -0.7977* H 36 s(100.00%) -1.0000 -0.0014 85. (0.02710) BD*( 1) C 4- C 5 ( 53.30%) 0.7301* C 4 s( 25.98%)p 2.85( 73.96%)d 0.00( 0.06%) 0.0000 0.5097 -0.0041 -0.0024 0.3560 0.0118 -0.4550 0.0039 0.6369 0.0000 -0.0088 0.0126 -0.0176 -0.0026 0.0079 ( 46.70%) -0.6834* C 5 s( 25.91%)p 2.86( 74.04%)d 0.00( 0.04%) 0.0000 0.5091 0.0001 0.0000 -0.3697 0.0207 0.4669 -0.0028 -0.6207 -0.0050 -0.0082 0.0150 -0.0109 0.0012 0.0027 86. (0.01300) BD*( 1) C 4- H 33 ( 37.34%) 0.6110* C 4 s( 22.67%)p 3.41( 77.24%)d 0.00( 0.09%) 0.0000 -0.4761 -0.0074 -0.0021 -0.0310 -0.0038 0.4757 -0.0228 0.7379 0.0105 0.0016 0.0015 -0.0245 0.0086 -0.0149 ( 62.66%) -0.7916* H 33 s(100.00%) -1.0000 -0.0024 87. (0.00998) BD*( 1) C 4- H 34 ( 36.64%) 0.6053* C 4 s( 23.52%)p 3.25( 76.39%)d 0.00( 0.08%) 0.0000 -0.4850 -0.0024 -0.0018 -0.4713 0.0110 -0.7235 0.0060 0.1340 0.0183 -0.0229 0.0031 0.0054 0.0093 0.0139 ( 63.36%) -0.7960* H 34 s(100.00%) -1.0000 -0.0013 88. (0.03708) BD*( 1) C 5- C 6 ( 52.44%) 0.7242* C 5 s( 24.33%)p 3.11( 75.59%)d 0.00( 0.08%) 0.0000 -0.4932 0.0062 0.0017 0.5237 0.0054 0.6577 0.0107 -0.2213 0.0058 -0.0221 0.0087 0.0103 0.0034 0.0097 ( 47.56%) -0.6896* C 6 s( 34.35%)p 1.91( 65.59%)d 0.00( 0.06%) 0.0000 -0.5861 -0.0040 0.0004 -0.4993 0.0069 -0.5733 0.0024 0.2791 0.0021 -0.0162 0.0096 0.0103 0.0004 0.0106 89. (0.03236) BD*( 1) C 5- C 10 ( 47.41%) 0.6885* C 5 s( 27.22%)p 2.67( 72.74%)d 0.00( 0.04%) 0.0000 -0.5217 0.0004 0.0000 -0.7594 0.0135 0.2974 -0.0128 0.2487 0.0110 0.0133 0.0070 -0.0046 -0.0086 0.0097 ( 52.59%) -0.7252* C 10 s( 25.69%)p 2.89( 74.25%)d 0.00( 0.06%) 0.0000 -0.5068 0.0081 0.0011 0.7466 -0.0042 -0.3272 -0.0064 -0.2791 0.0116 0.0122 0.0122 -0.0046 -0.0142 0.0083 90. (0.02278) BD*( 1) C 5- C 29 ( 47.03%) 0.6858* C 5 s( 22.52%)p 3.44( 77.43%)d 0.00( 0.05%) 0.0000 -0.4745 -0.0045 -0.0011 -0.1059 -0.0106 -0.5094 -0.0137 -0.7094 0.0050 0.0001 0.0025 -0.0139 0.0041 -0.0173 ( 52.97%) -0.7278* C 29 s( 26.57%)p 2.76( 73.36%)d 0.00( 0.07%) 0.0000 -0.5155 0.0010 0.0033 0.1018 -0.0023 0.4972 -0.0056 0.6899 0.0034 -0.0050 -0.0041 -0.0208 0.0074 -0.0112 91. (0.02538) BD*( 1) C 6- C 7 ( 49.43%) 0.7031* C 6 s( 31.39%)p 2.18( 68.53%)d 0.00( 0.08%) 0.0000 0.5602 -0.0091 -0.0002 0.3179 -0.0072 -0.6951 -0.0036 0.3171 0.0220 -0.0158 0.0047 -0.0115 -0.0169 -0.0114 ( 50.57%) -0.7111* C 7 s( 30.58%)p 2.27( 69.32%)d 0.00( 0.10%) 0.0000 0.5528 -0.0133 -0.0012 -0.2837 -0.0150 0.7662 0.0142 -0.1578 0.0188 -0.0178 0.0084 -0.0160 -0.0168 -0.0092 92. (0.25861) BD*( 1) C 6-Br 28 ( 77.73%) 0.8816* C 6 s( 1.27%)p77.47( 98.57%)d 0.13( 0.16%) 0.0000 0.0928 0.0638 0.0060 -0.1481 0.0086 -0.3993 0.0623 -0.8921 0.0672 0.0018 0.0009 0.0348 -0.0166 0.0106 ( 22.27%) -0.4719*Br 28 s( 2.36%)p41.34( 97.44%)d 0.08( 0.20%) 0.0000 0.0000 0.0000 -0.1534 0.0052 -0.0002 -0.0014 -0.0002 0.0000 0.0000 -0.1683 0.0032 0.0000 0.0000 0.9486 -0.0002 0.0000 0.0000 0.2145 0.0142 0.0000 0.0035 0.0000 0.0054 0.0000 0.0373 0.0000 -0.0197 0.0000 0.0132 93. (0.01842) BD*( 1) C 7- C 8 ( 46.69%) 0.6833* C 7 s( 33.95%)p 1.94( 66.00%)d 0.00( 0.05%) 0.0000 0.5826 -0.0115 -0.0016 0.7976 -0.0001 -0.1030 -0.0298 0.1078 0.0257 -0.0029 0.0026 -0.0021 0.0181 -0.0122 ( 53.31%) -0.7301* C 8 s( 25.87%)p 2.86( 74.06%)d 0.00( 0.07%) 0.0000 0.5083 -0.0186 -0.0016 -0.8292 -0.0212 0.1348 -0.0140 -0.1850 -0.0014 -0.0062 0.0078 -0.0003 0.0214 -0.0116 94. (0.01601) BD*( 1) C 7- H 27 ( 34.36%) 0.5862* C 7 s( 28.28%)p 2.53( 71.63%)d 0.00( 0.09%) 0.0000 -0.5318 -0.0017 -0.0020 0.5144 -0.0206 0.4756 0.0088 -0.4743 -0.0042 -0.0180 0.0180 0.0154 -0.0042 0.0054 ( 65.64%) -0.8102* H 27 s(100.00%) -1.0000 -0.0042 95. (0.15062) BD*( 1) C 7-Br 28 ( 62.40%) 0.7900* C 7 s( 7.32%)p12.65( 92.52%)d 0.02( 0.16%) 0.0000 0.2650 0.0541 0.0012 -0.1317 0.0031 -0.4158 -0.0015 -0.8561 0.0449 0.0018 0.0180 0.0179 -0.0048 0.0308 ( 37.60%) -0.6131*Br 28 s( 6.32%)p14.75( 93.31%)d 0.06( 0.36%) 0.0000 0.0000 0.0000 -0.2508 0.0185 -0.0010 -0.0006 -0.0002 0.0000 0.0000 0.3533 0.0060 0.0000 0.0000 -0.1795 0.0017 0.0000 0.0000 0.8805 0.0272 0.0000 0.0058 0.0000 0.0257 0.0000 0.0258 0.0000 -0.0028 0.0000 0.0475 96. (0.01870) BD*( 1) C 8- C 9 ( 48.42%) 0.6959* C 8 s( 29.00%)p 2.45( 70.96%)d 0.00( 0.04%) 0.0000 0.5385 -0.0051 -0.0020 0.4972 0.0092 0.6058 -0.0077 -0.3083 0.0123 0.0133 -0.0064 -0.0114 -0.0059 -0.0060 ( 51.58%) -0.7182* C 9 s( 25.05%)p 2.99( 74.89%)d 0.00( 0.06%) 0.0000 0.5004 -0.0114 -0.0014 -0.5486 0.0098 -0.6055 -0.0062 0.2844 0.0175 0.0185 -0.0085 -0.0092 -0.0007 -0.0084 97. (0.01207) BD*( 1) C 8- H 25 ( 35.79%) 0.5982* C 8 s( 22.93%)p 3.36( 76.98%)d 0.00( 0.08%) 0.0000 -0.4788 -0.0086 -0.0015 -0.2367 -0.0049 0.7822 -0.0039 0.3188 -0.0173 0.0071 0.0013 -0.0166 0.0205 0.0087 ( 64.21%) -0.8013* H 25 s(100.00%) -1.0000 -0.0028 98. (0.01029) BD*( 1) C 8- H 26 ( 36.03%) 0.6002* C 8 s( 22.21%)p 3.50( 77.70%)d 0.00( 0.09%) 0.0000 -0.4712 -0.0090 -0.0015 -0.0857 -0.0127 0.0431 0.0127 -0.8760 0.0087 0.0016 0.0018 0.0028 -0.0008 -0.0296 ( 63.97%) -0.7998* H 26 s(100.00%) -1.0000 -0.0016 99. (0.02607) BD*( 1) C 9- C 10 ( 50.28%) 0.7091* C 9 s( 26.25%)p 2.81( 73.70%)d 0.00( 0.05%) 0.0000 0.5124 -0.0007 -0.0008 -0.3830 0.0047 0.4937 0.0007 -0.5887 -0.0020 -0.0105 0.0122 -0.0151 -0.0013 0.0037 ( 49.72%) -0.7051* C 10 s( 25.92%)p 2.86( 74.03%)d 0.00( 0.05%) 0.0000 0.5091 -0.0037 -0.0011 0.3447 0.0043 -0.5124 -0.0029 0.5991 -0.0009 -0.0083 0.0100 -0.0172 -0.0040 0.0054 100. (0.01734) BD*( 1) C 9- C 18 ( 47.73%) 0.6909* C 9 s( 27.05%)p 2.70( 72.91%)d 0.00( 0.04%) 0.0000 -0.5200 0.0056 0.0013 -0.7098 0.0011 0.3588 0.0054 0.3104 -0.0140 0.0128 0.0108 -0.0053 -0.0083 0.0057 ( 52.27%) -0.7230* C 18 s( 26.40%)p 2.79( 73.54%)d 0.00( 0.06%) 0.0000 -0.5137 0.0078 0.0022 0.7195 0.0048 -0.3548 0.0045 -0.3026 -0.0159 0.0148 0.0121 -0.0058 -0.0107 0.0079 101. (0.01971) BD*( 1) C 9- H 24 ( 37.18%) 0.6098* C 9 s( 21.65%)p 3.62( 78.26%)d 0.00( 0.09%) 0.0000 -0.4650 -0.0139 -0.0028 -0.2186 -0.0042 -0.5095 0.0116 -0.6893 0.0010 -0.0066 -0.0093 -0.0235 0.0077 -0.0127 ( 62.82%) -0.7926* H 24 s(100.00%) -1.0000 -0.0038 102. (0.01939) BD*( 1) C 10- C 11 ( 47.73%) 0.6909* C 10 s( 27.07%)p 2.69( 72.89%)d 0.00( 0.04%) 0.0000 -0.5202 0.0072 0.0011 -0.5420 0.0083 -0.6208 -0.0019 0.2227 0.0102 -0.0166 0.0055 0.0069 0.0016 0.0083 ( 52.27%) -0.7230* C 11 s( 26.39%)p 2.79( 73.55%)d 0.00( 0.06%) 0.0000 -0.5137 0.0075 0.0023 0.5706 0.0111 0.5896 0.0018 -0.2491 0.0071 -0.0185 0.0083 0.0086 0.0013 0.0094 103. (0.02418) BD*( 1) C 10- H 23 ( 37.04%) 0.6086* C 10 s( 21.34%)p 3.68( 78.57%)d 0.00( 0.09%) 0.0000 -0.4617 -0.0145 -0.0027 0.1710 -0.0092 0.4938 -0.0088 0.7158 0.0027 -0.0059 -0.0091 -0.0240 0.0069 -0.0139 ( 62.96%) -0.7935* H 23 s(100.00%) -1.0000 -0.0050 104. (0.01032) BD*( 1) C 11- H 12 ( 37.45%) 0.6119* C 11 s( 23.46%)p 3.26( 76.45%)d 0.00( 0.09%) 0.0000 -0.4844 -0.0024 -0.0018 0.3608 -0.0162 -0.5130 -0.0076 0.6089 -0.0103 0.0123 -0.0152 0.0206 0.0036 -0.0066 ( 62.55%) -0.7909* H 12 s(100.00%) -1.0000 -0.0012 105. (0.01557) BD*( 1) C 11- H 13 ( 38.16%) 0.6178* C 11 s( 22.55%)p 3.43( 77.36%)d 0.00( 0.09%) 0.0000 -0.4747 -0.0088 -0.0019 -0.2004 -0.0024 -0.5097 -0.0184 -0.6878 0.0159 -0.0068 -0.0089 -0.0232 0.0068 -0.0138 ( 61.84%) -0.7864* H 13 s(100.00%) -1.0000 -0.0028 106. (0.01210) BD*( 1) C 11- C 14 ( 48.58%) 0.6970* C 11 s( 27.55%)p 2.63( 72.41%)d 0.00( 0.05%) 0.0000 -0.5248 0.0068 0.0022 -0.7091 -0.0047 0.3577 -0.0200 0.3043 0.0152 0.0142 0.0103 -0.0058 -0.0076 0.0075 ( 51.42%) -0.7171* C 14 s( 26.37%)p 2.79( 73.58%)d 0.00( 0.06%) 0.0000 -0.5134 0.0082 0.0023 0.7188 0.0033 -0.3506 -0.0255 -0.3089 0.0107 0.0128 0.0136 -0.0055 -0.0116 0.0061 107. (0.00930) BD*( 1) C 14- H 15 ( 37.00%) 0.6082* C 14 s( 23.65%)p 3.22( 76.26%)d 0.00( 0.08%) 0.0000 -0.4864 -0.0020 -0.0018 -0.5599 0.0074 -0.6322 0.0158 0.2216 0.0105 -0.0231 0.0077 0.0088 0.0037 0.0120 ( 63.00%) -0.7937* H 15 s(100.00%) -1.0000 -0.0014 108. (0.01434) BD*( 1) C 14- H 16 ( 38.07%) 0.6170* C 14 s( 22.69%)p 3.40( 77.22%)d 0.00( 0.09%) 0.0000 -0.4763 -0.0095 -0.0021 0.1927 -0.0182 0.4504 -0.0158 0.7291 0.0088 -0.0065 -0.0106 -0.0222 0.0054 -0.0147 ( 61.93%) -0.7869* H 16 s(100.00%) -1.0000 -0.0028 109. (0.01342) BD*( 1) C 14- C 17 ( 49.91%) 0.7065* C 14 s( 27.23%)p 2.67( 72.72%)d 0.00( 0.05%) 0.0000 0.5218 -0.0061 -0.0024 0.3619 0.0271 -0.5222 0.0006 0.5682 -0.0054 -0.0090 0.0095 -0.0169 -0.0045 0.0055 ( 50.09%) -0.7077* C 17 s( 27.03%)p 2.70( 72.92%)d 0.00( 0.05%) 0.0000 0.5198 -0.0063 -0.0023 -0.3552 0.0202 0.5249 0.0089 -0.5716 -0.0161 -0.0108 0.0124 -0.0154 -0.0019 0.0025 110. (0.01236) BD*( 1) C 17- C 18 ( 51.09%) 0.7148* C 17 s( 26.59%)p 2.76( 73.35%)d 0.00( 0.05%) 0.0000 -0.5156 0.0084 0.0023 0.5553 -0.0133 0.5935 0.0239 -0.2686 -0.0069 -0.0183 0.0080 0.0083 -0.0012 0.0089 ( 48.91%) -0.6994* C 18 s( 27.81%)p 2.59( 72.14%)d 0.00( 0.05%) 0.0000 -0.5273 0.0082 0.0023 -0.5552 -0.0217 -0.5862 0.0144 0.2623 -0.0040 -0.0165 0.0071 0.0084 0.0037 0.0084 111. (0.01415) BD*( 1) C 17- H 21 ( 38.02%) 0.6166* C 17 s( 22.66%)p 3.41( 77.25%)d 0.00( 0.09%) 0.0000 -0.4760 -0.0098 -0.0021 -0.2766 -0.0220 -0.4674 0.0090 -0.6905 0.0095 -0.0079 -0.0114 -0.0219 0.0055 -0.0136 ( 61.98%) -0.7873* H 21 s(100.00%) -1.0000 -0.0028 112. (0.00940) BD*( 1) C 17- H 22 ( 36.97%) 0.6081* C 17 s( 23.66%)p 3.22( 76.25%)d 0.00( 0.08%) 0.0000 -0.4864 -0.0022 -0.0018 -0.6981 0.0020 0.3900 -0.0137 0.3502 -0.0153 0.0181 0.0160 -0.0094 -0.0100 0.0073 ( 63.03%) -0.7939* H 22 s(100.00%) -1.0000 -0.0014 113. (0.01522) BD*( 1) C 18- H 19 ( 38.12%) 0.6174* C 18 s( 22.39%)p 3.46( 77.52%)d 0.00( 0.09%) 0.0000 -0.4731 -0.0096 -0.0020 0.2065 -0.0188 0.5308 0.0135 0.6709 -0.0087 -0.0084 -0.0108 -0.0235 0.0067 -0.0108 ( 61.88%) -0.7866* H 19 s(100.00%) -1.0000 -0.0032 114. (0.01022) BD*( 1) C 18- H 20 ( 37.27%) 0.6105* C 18 s( 23.35%)p 3.28( 76.57%)d 0.00( 0.09%) 0.0000 -0.4832 -0.0032 -0.0019 -0.3607 -0.0037 0.4974 0.0031 -0.6227 0.0201 0.0113 -0.0140 0.0210 0.0042 -0.0089 ( 62.73%) -0.7920* H 20 s(100.00%) -1.0000 -0.0017 115. (0.00601) BD*( 1) C 29- H 30 ( 37.37%) 0.6113* C 29 s( 24.89%)p 3.01( 75.02%)d 0.00( 0.09%) 0.0000 -0.4989 0.0002 -0.0008 0.7467 -0.0116 -0.3885 -0.0146 -0.2026 -0.0167 0.0191 0.0097 -0.0051 -0.0154 0.0126 ( 62.63%) -0.7914* H 30 s(100.00%) -1.0000 -0.0004 116. (0.00494) BD*( 1) C 29- H 31 ( 37.61%) 0.6132* C 29 s( 24.76%)p 3.04( 75.15%)d 0.00( 0.09%) 0.0000 -0.4976 -0.0009 -0.0009 -0.2687 -0.0027 0.4743 -0.0203 -0.6736 -0.0150 0.0087 -0.0122 0.0224 0.0067 -0.0115 ( 62.39%) -0.7899* H 31 s(100.00%) -1.0000 -0.0004 117. (0.00706) BD*( 1) C 29- H 32 ( 36.46%) 0.6038* C 29 s( 23.67%)p 3.22( 76.25%)d 0.00( 0.08%) 0.0000 -0.4865 0.0012 -0.0008 -0.5988 0.0055 -0.6129 -0.0069 0.1669 -0.0196 -0.0236 0.0084 0.0080 -0.0004 0.0114 ( 63.54%) -0.7971* H 32 s(100.00%) -1.0000 -0.0007 118. (0.00559) RY ( 1) C 1 s( 0.44%)p99.99( 95.99%)d 8.04( 3.57%) 0.0000 0.0131 0.0653 0.0010 0.0177 0.0904 0.0341 0.9738 -0.0030 -0.0441 0.0906 -0.0993 -0.0848 -0.0380 -0.0947 119. (0.00147) RY ( 2) C 1 s( 10.21%)p 7.56( 77.18%)d 1.24( 12.62%) 0.0000 0.0003 0.3187 -0.0225 0.0121 -0.3663 -0.0128 -0.0084 -0.0125 -0.7981 0.1604 -0.1050 0.1889 0.0547 0.2253 120. (0.00089) RY ( 3) C 1 s( 3.64%)p21.39( 77.83%)d 5.09( 18.53%) 0.0000 -0.0212 0.1893 -0.0105 0.0128 -0.7972 -0.0120 0.1105 -0.0037 0.3610 -0.2284 0.1234 0.0655 0.2807 -0.1864 121. (0.00045) RY ( 4) C 1 s( 67.82%)p 0.20( 13.36%)d 0.28( 18.82%) 0.0000 0.0009 0.8156 -0.1140 0.0163 0.1322 -0.0038 -0.0589 -0.0119 0.3350 0.1113 -0.0485 -0.1473 -0.2343 0.3113 122. (0.00022) RY ( 5) C 1 s( 5.40%)p 1.63( 8.82%)d15.88( 85.78%) 0.0000 0.0025 0.1789 -0.1483 -0.0018 -0.0024 0.0145 -0.1278 0.0196 -0.2669 -0.3487 -0.2446 -0.5822 -0.1512 -0.5609 123. (0.00014) RY ( 6) C 1 s( 10.09%)p 1.58( 15.93%)d 7.33( 73.97%) 0.0000 0.0123 0.2554 -0.1886 -0.0250 0.3748 0.0019 0.0104 0.0063 -0.1345 -0.0811 0.4605 -0.0245 0.7106 -0.1248 124. (0.00007) RY ( 7) C 1 s( 6.72%)p 0.71( 4.79%)d13.16( 88.49%) 125. (0.00001) RY ( 8) C 1 s( 12.58%)p 0.22( 2.82%)d 6.72( 84.60%) 126. (0.00002) RY ( 9) C 1 s( 3.38%)p 0.41( 1.38%)d28.17( 95.24%) 127. (0.00001) RY (10) C 1 s( 79.76%)p 0.03( 2.16%)d 0.23( 18.07%) 128. (0.00419) RY ( 1) C 2 s( 2.32%)p39.34( 91.14%)d 2.82( 6.54%) 0.0000 -0.0158 0.1513 -0.0057 -0.0288 -0.5960 0.0196 0.5034 0.0181 0.5490 0.0688 0.0732 0.0945 -0.1724 0.1290 129. (0.00159) RY ( 2) C 2 s( 0.23%)p99.99( 84.19%)d66.73( 15.57%) 0.0000 0.0171 0.0452 -0.0009 0.0101 0.6858 -0.0062 0.5715 0.0075 0.2115 -0.0237 0.0854 0.3076 0.2284 0.0333 130. (0.00083) RY ( 3) C 2 s( 2.69%)p30.61( 82.34%)d 5.56( 14.97%) 0.0000 0.0088 0.1624 -0.0213 0.0043 0.1418 0.0153 -0.5969 -0.0113 0.6683 0.0923 0.0302 0.2838 0.0667 -0.2350 131. (0.00028) RY ( 4) C 2 s( 74.72%)p 0.04( 2.87%)d 0.30( 22.41%) 0.0000 -0.0010 0.8427 -0.1924 0.0094 -0.0451 -0.0085 0.0282 0.0036 -0.1602 0.1850 -0.1201 -0.1920 0.3714 -0.0244 132. (0.00017) RY ( 5) C 2 s( 10.18%)p 0.33( 3.32%)d 8.49( 86.50%) 0.0000 0.0007 0.2972 -0.1162 0.0006 0.0355 0.0023 0.0840 0.0035 -0.1576 -0.3974 0.4214 0.0852 -0.4628 -0.5550 133. (0.00010) RY ( 6) C 2 s( 2.30%)p 4.27( 9.83%)d38.14( 87.87%) 0.0000 -0.0062 -0.0267 0.1493 0.0027 -0.0965 -0.0184 0.1076 0.0291 -0.2760 0.6020 -0.2898 0.4994 -0.1633 -0.3953 134. (0.00003) RY ( 7) C 2 s( 1.95%)p 4.00( 7.81%)d46.21( 90.24%) 135. (0.00001) RY ( 8) C 2 s( 21.17%)p 0.49( 10.29%)d 3.24( 68.54%) 136. (0.00001) RY ( 9) C 2 s( 15.29%)p 0.28( 4.27%)d 5.26( 80.44%) 137. (0.00000) RY (10) C 2 s( 69.21%)p 0.06( 4.15%)d 0.38( 26.64%) 138. (0.00356) RY ( 1) C 3 s( 2.34%)p38.70( 90.47%)d 3.08( 7.19%) 0.0000 -0.0142 0.1520 0.0076 -0.0126 -0.2223 0.0033 -0.0194 -0.0362 -0.9238 0.0526 -0.0827 0.2446 -0.0476 -0.0149 139. (0.00155) RY ( 2) C 3 s( 0.74%)p99.99( 78.52%)d28.00( 20.74%) 0.0000 0.0199 0.0836 0.0036 0.0051 0.2904 -0.0102 -0.8366 0.0050 -0.0292 -0.2559 0.1452 0.0891 -0.3105 0.1283 140. (0.00090) RY ( 3) C 3 s( 0.85%)p99.99( 92.13%)d 8.31( 7.02%) 0.0000 -0.0022 0.0919 0.0002 0.0202 -0.8821 0.0063 -0.2970 -0.0066 0.2335 -0.1967 -0.1382 0.0170 0.0997 0.0471 141. (0.00028) RY ( 4) C 3 s( 80.69%)p 0.02( 1.58%)d 0.22( 17.74%) 0.0000 -0.0006 0.8721 0.2152 0.0050 0.0196 -0.0069 0.1176 0.0084 0.0375 -0.0666 0.2374 -0.3024 -0.0476 -0.1511 142. (0.00018) RY ( 5) C 3 s( 0.95%)p 1.18( 1.13%)d99.99( 97.92%) 0.0000 -0.0010 0.0893 0.0397 0.0055 0.0803 0.0009 0.0525 0.0013 -0.0452 -0.0280 -0.7281 -0.4230 -0.3019 0.4222 143. (0.00009) RY ( 6) C 3 s( 0.58%)p10.82( 6.27%)d99.99( 93.15%) 144. (0.00003) RY ( 7) C 3 s( 19.91%)p 0.82( 16.27%)d 3.21( 63.82%) 145. (0.00001) RY ( 8) C 3 s( 8.14%)p 0.41( 3.38%)d10.86( 88.48%) 146. (0.00001) RY ( 9) C 3 s( 29.10%)p 0.24( 6.85%)d 2.20( 64.06%) 147. (0.00000) RY (10) C 3 s( 56.77%)p 0.06( 3.63%)d 0.70( 39.60%) 148. (0.00461) RY ( 1) C 4 s( 0.78%)p99.99( 93.39%)d 7.47( 5.83%) 0.0000 -0.0079 0.0879 -0.0022 0.0136 0.2679 0.0266 0.8335 0.0087 0.4081 -0.1072 0.0289 0.1558 0.0082 0.1470 149. (0.00237) RY ( 2) C 4 s( 0.03%)p99.99( 91.47%)d99.99( 8.49%) 0.0000 -0.0108 0.0135 -0.0066 0.0043 0.8105 0.0086 -0.0216 -0.0050 -0.5072 -0.2231 0.0840 0.0033 0.0847 -0.1446 150. (0.00103) RY ( 3) C 4 s( 16.56%)p 4.32( 71.48%)d 0.72( 11.96%) 0.0000 -0.0208 0.4048 -0.0359 0.0068 -0.4397 -0.0052 0.4064 0.0052 -0.5968 -0.1511 0.2263 -0.2117 0.0169 -0.0213 151. (0.00061) RY ( 4) C 4 s( 74.68%)p 0.11( 7.88%)d 0.23( 17.43%) 0.0000 0.0085 0.8613 -0.0695 -0.0083 0.1440 -0.0022 -0.1925 0.0115 0.1444 0.1102 -0.3889 0.0850 -0.0588 -0.0170 152. (0.00020) RY ( 5) C 4 s( 1.47%)p 0.47( 0.68%)d66.71( 97.85%) 0.0000 0.0013 0.1085 -0.0538 0.0014 0.0722 -0.0068 -0.0021 -0.0050 0.0394 0.5543 0.3248 -0.0420 0.7493 0.0501 153. (0.00007) RY ( 6) C 4 s( 4.80%)p 3.03( 14.54%)d16.80( 80.66%) 154. (0.00003) RY ( 7) C 4 s( 1.75%)p 2.35( 4.11%)d53.75( 94.14%) 155. (0.00001) RY ( 8) C 4 s( 11.57%)p 0.56( 6.48%)d 7.08( 81.95%) 156. (0.00001) RY ( 9) C 4 s( 32.79%)p 0.22( 7.24%)d 1.83( 59.97%) 157. (0.00000) RY (10) C 4 s( 55.64%)p 0.05( 2.92%)d 0.74( 41.44%) 158. (0.00468) RY ( 1) C 5 s( 0.16%)p99.99( 95.18%)d29.20( 4.66%) 0.0000 -0.0008 0.0397 -0.0039 -0.0249 -0.6755 0.0123 0.7034 -0.0069 0.0010 0.0045 -0.1255 0.0717 0.1219 -0.1039 159. (0.00274) RY ( 2) C 5 s( 0.75%)p99.99( 93.65%)d 7.43( 5.60%) 0.0000 -0.0124 0.0855 0.0090 -0.0049 -0.0249 0.0020 -0.0466 -0.0047 -0.9662 0.0769 -0.1249 0.1458 -0.0097 0.1146 160. (0.00225) RY ( 3) C 5 s( 0.08%)p99.99( 90.33%)d99.99( 9.59%) 0.0000 0.0093 0.0235 0.0133 -0.0041 -0.6895 0.0144 -0.6522 0.0033 0.0482 -0.2582 0.0755 0.1445 -0.0279 0.0425 161. (0.00057) RY ( 4) C 5 s( 50.79%)p 0.04( 2.06%)d 0.93( 47.15%) 0.0000 0.0016 0.7126 -0.0073 -0.0041 0.0310 -0.0185 0.0564 -0.0064 0.1266 -0.1078 -0.0784 -0.0715 0.1375 0.6555 162. (0.00041) RY ( 5) C 5 s( 0.08%)p 8.85( 0.70%)d99.99( 99.22%) 0.0000 -0.0007 0.0280 -0.0021 0.0013 -0.0004 -0.0073 0.0147 0.0098 -0.0814 0.1484 0.7619 0.0812 0.6186 -0.0214 163. (0.00038) RY ( 6) C 5 s( 34.54%)p 0.04( 1.47%)d 1.85( 63.99%) 0.0000 -0.0015 0.5870 -0.0285 -0.0014 0.0405 0.0047 -0.0130 0.0149 -0.1124 -0.2774 0.1324 -0.3164 -0.1191 -0.6566 164. (0.00028) RY ( 7) C 5 s( 8.69%)p 0.44( 3.84%)d10.06( 87.46%) 0.0000 0.0043 0.2893 -0.0567 0.0161 -0.1468 0.0111 -0.0866 -0.0133 0.0941 0.8102 0.1604 0.1389 -0.4111 -0.0648 165. (0.00021) RY ( 8) C 5 s( 2.10%)p 3.05( 6.39%)d43.60( 91.51%) 0.0000 0.0010 0.1370 -0.0471 -0.0155 0.1883 -0.0188 0.1497 -0.0065 0.0740 -0.3195 0.1688 0.8478 -0.2454 -0.0747 166. (0.00008) RY ( 9) C 5 s( 3.42%)p 1.90( 6.51%)d26.35( 90.07%) 167. (0.00002) RY (10) C 5 s( 99.40%)p 0.00( 0.06%)d 0.01( 0.54%) 168. (0.00986) RY ( 1) C 6 s( 12.39%)p 6.56( 81.23%)d 0.52( 6.38%) 0.0000 -0.0129 0.3502 0.0326 0.0168 0.1503 0.0544 0.4006 0.0965 0.7853 0.0332 0.0297 0.2196 -0.0830 0.0820 169. (0.00406) RY ( 2) C 6 s( 0.59%)p99.99( 94.19%)d 8.92( 5.22%) 0.0000 0.0122 0.0755 0.0002 0.0039 0.9453 -0.0082 -0.1989 -0.0053 -0.0929 -0.0273 -0.0127 0.0359 0.2201 -0.0396 170. (0.00339) RY ( 3) C 6 s( 10.70%)p 7.81( 83.56%)d 0.54( 5.74%) 0.0000 -0.0114 0.3250 -0.0349 -0.0013 -0.1813 -0.0074 -0.8235 -0.0131 0.3526 0.1150 -0.1443 -0.1111 0.1010 0.0290 171. (0.00129) RY ( 4) C 6 s( 56.96%)p 0.27( 15.12%)d 0.49( 27.92%) 0.0000 0.0046 0.7518 -0.0661 -0.0004 -0.0462 0.0024 0.2269 0.0264 -0.3113 -0.1884 0.0092 -0.4621 0.0933 0.1463 172. (0.00065) RY ( 5) C 6 s( 4.88%)p 1.17( 5.70%)d18.32( 89.42%) 0.0000 0.0071 0.2198 -0.0207 0.0015 -0.0001 0.0084 -0.0775 0.0180 -0.2250 -0.3444 -0.5659 0.5453 -0.3924 0.0632 173. (0.00049) RY ( 6) C 6 s( 1.11%)p 5.92( 6.54%)d83.47( 92.35%) 0.0000 0.0021 0.1050 0.0057 0.0028 -0.0425 -0.0241 0.2005 0.0196 -0.1499 0.7552 -0.4971 0.1086 0.3054 -0.0313 174. (0.00043) RY ( 7) C 6 s( 12.90%)p 0.39( 4.97%)d 6.37( 82.13%) 0.0000 0.0015 0.3385 -0.1201 -0.0057 -0.0048 0.0022 -0.0890 0.0153 -0.2038 0.3340 0.4992 0.3099 -0.3325 -0.5039 175. (0.00032) RY ( 8) C 6 s( 1.34%)p 3.45( 4.64%)d69.93( 94.01%) 0.0000 -0.0031 0.0921 -0.0704 0.0207 -0.2102 -0.0034 0.0409 0.0017 -0.0125 -0.3480 0.0939 0.4087 0.7441 -0.2991 176. (0.00004) RY ( 9) C 6 s( 13.40%)p 0.35( 4.68%)d 6.11( 81.92%) 177. (0.00001) RY (10) C 6 s( 85.43%)p 0.00( 0.02%)d 0.17( 14.55%) 178. (0.00513) RY ( 1) C 7 s( 0.01%)p99.99( 94.43%)d99.99( 5.56%) 0.0000 0.0079 0.0078 -0.0018 0.0150 0.9180 0.0172 0.2405 -0.0195 -0.2070 0.2103 -0.0214 -0.0318 -0.0315 -0.0942 179. (0.00371) RY ( 2) C 7 s( 10.27%)p 7.40( 76.04%)d 1.33( 13.69%) 0.0000 -0.0078 0.3200 0.0156 0.0152 -0.0687 0.0046 0.6660 0.0481 0.5564 0.0929 0.0257 0.3263 -0.1409 -0.0352 180. (0.00223) RY ( 3) C 7 s( 0.15%)p99.99( 76.43%)d99.99( 23.42%) 0.0000 0.0341 -0.0180 -0.0040 0.0147 -0.3089 -0.0242 0.4850 -0.0332 -0.6571 -0.0097 -0.4036 0.0648 -0.0735 -0.2482 181. (0.00073) RY ( 4) C 7 s( 40.49%)p 0.36( 14.77%)d 1.10( 44.74%) 0.0000 -0.0089 0.6327 -0.0674 0.0074 0.1062 0.0283 -0.3587 0.0140 0.0820 -0.1089 -0.6221 -0.0225 -0.2176 -0.0262 182. (0.00070) RY ( 5) C 7 s( 15.06%)p 0.61( 9.17%)d 5.03( 75.77%) 0.0000 0.0122 0.3872 -0.0226 0.0174 -0.1252 0.0227 0.1369 0.0225 -0.2367 0.4291 0.1335 -0.2955 0.1142 0.6748 183. (0.00034) RY ( 6) C 7 s( 0.02%)p99.99( 3.32%)d99.99( 96.66%) 0.0000 0.0082 -0.0048 0.0081 0.0152 0.0522 -0.0226 0.0822 0.0197 -0.1503 -0.4525 0.2792 -0.0998 -0.7776 0.2633 184. (0.00022) RY ( 7) C 7 s( 29.83%)p 0.42( 12.40%)d 1.94( 57.76%) 0.0000 0.0093 0.5206 -0.1651 -0.0060 -0.0462 0.0101 -0.1699 0.0194 -0.3042 0.0124 0.5798 0.2863 0.0637 -0.3941 185. (0.00007) RY ( 8) C 7 s( 18.36%)p 0.47( 8.62%)d 3.98( 73.02%) 186. (0.00002) RY ( 9) C 7 s( 0.71%)p 6.82( 4.87%)d99.99( 94.42%) 187. (0.00001) RY (10) C 7 s( 84.97%)p 0.01( 0.46%)d 0.17( 14.57%) 188. (0.00486) RY ( 1) C 8 s( 2.17%)p43.54( 94.37%)d 1.60( 3.46%) 0.0000 -0.0069 0.1465 -0.0131 -0.0076 -0.2527 0.0102 0.0871 0.0231 0.9336 0.0180 0.0186 0.0699 -0.0800 -0.1505 189. (0.00290) RY ( 2) C 8 s( 0.07%)p99.99( 94.26%)d81.71( 5.67%) 0.0000 -0.0149 0.0179 -0.0123 0.0113 -0.1193 -0.0137 -0.9607 -0.0057 0.0710 0.1525 -0.0610 -0.0392 0.1678 0.0045 190. (0.00175) RY ( 3) C 8 s( 5.44%)p15.25( 82.89%)d 2.15( 11.68%) 0.0000 0.0059 0.2299 -0.0383 0.0135 -0.8690 0.0017 0.0410 -0.0001 -0.2679 -0.0645 0.0439 -0.1697 -0.2654 0.1071 191. (0.00037) RY ( 4) C 8 s( 71.50%)p 0.10( 7.49%)d 0.29( 21.01%) 0.0000 0.0023 0.8364 -0.1241 -0.0187 0.2691 0.0080 -0.0260 -0.0120 -0.0354 -0.2558 -0.2923 -0.2347 0.0337 -0.0556 192. (0.00020) RY ( 5) C 8 s( 16.30%)p 0.22( 3.62%)d 4.91( 80.08%) 0.0000 0.0009 0.3982 -0.0664 -0.0157 0.1627 0.0118 -0.0563 -0.0053 -0.0786 0.4491 0.5893 0.3725 -0.3278 0.0747 193. (0.00011) RY ( 6) C 8 s( 2.14%)p 1.92( 4.10%)d43.87( 93.76%) 0.0000 -0.0025 -0.0360 0.1417 -0.0250 0.1282 -0.0057 0.0394 -0.0206 0.1480 0.3905 -0.3411 -0.2904 -0.2974 0.7043 194. (0.00005) RY ( 7) C 8 s( 19.96%)p 0.07( 1.46%)d 3.94( 78.58%) 195. (0.00003) RY ( 8) C 8 s( 5.79%)p 1.17( 6.80%)d15.10( 87.41%) 196. (0.00001) RY ( 9) C 8 s( 8.68%)p 0.59( 5.11%)d 9.93( 86.22%) 197. (0.00001) RY (10) C 8 s( 67.95%)p 0.00( 0.21%)d 0.47( 31.84%) 198. (0.00443) RY ( 1) C 9 s( 5.65%)p15.40( 87.05%)d 1.29( 7.29%) 0.0000 0.0032 0.2377 -0.0065 -0.0069 -0.1515 -0.0202 -0.6727 -0.0128 -0.6281 0.0379 0.1078 0.2128 -0.0632 0.1030 199. (0.00309) RY ( 2) C 9 s( 0.04%)p99.99( 93.86%)d99.99( 6.10%) 0.0000 0.0045 0.0198 0.0026 -0.0126 -0.9346 0.0013 0.0052 0.0038 0.2549 -0.1714 0.0044 0.1452 0.1018 -0.0114 200. (0.00193) RY ( 3) C 9 s( 6.64%)p12.98( 86.12%)d 1.09( 7.24%) 0.0000 -0.0175 0.2556 -0.0271 -0.0021 0.2023 0.0039 -0.6049 -0.0026 0.6740 -0.1876 0.1327 -0.1244 0.0153 0.0628 201. (0.00043) RY ( 4) C 9 s( 72.14%)p 0.14( 10.13%)d 0.25( 17.73%) 0.0000 0.0063 0.8437 -0.0979 -0.0046 -0.0030 -0.0128 0.3149 -0.0022 -0.0442 -0.1693 -0.1872 -0.0330 -0.3315 -0.0510 202. (0.00034) RY ( 5) C 9 s( 3.52%)p 0.32( 1.13%)d27.11( 95.35%) 0.0000 -0.0013 0.1806 -0.0507 -0.0021 -0.0085 0.0075 -0.0204 -0.0128 0.1029 0.4728 -0.5242 0.0732 0.4064 0.5335 203. (0.00030) RY ( 6) C 9 s( 9.89%)p 0.12( 1.19%)d 8.99( 88.92%) 0.0000 0.0027 0.2942 -0.1113 0.0008 0.0354 0.0045 0.0438 0.0069 -0.0930 0.0975 0.2248 -0.1043 0.7470 -0.5101 204. (0.00011) RY ( 7) C 9 s( 2.47%)p 2.69( 6.63%)d36.88( 90.90%) 0.0000 0.0046 0.0933 0.1262 0.0024 -0.0088 -0.0222 0.2078 0.0118 -0.1497 -0.3170 0.4876 -0.3224 0.2385 0.6403 205. (0.00004) RY ( 8) C 9 s( 1.07%)p 4.47( 4.77%)d88.31( 94.17%) 206. (0.00003) RY ( 9) C 9 s( 8.61%)p 1.02( 8.81%)d 9.59( 82.58%) 207. (0.00001) RY (10) C 9 s( 89.98%)p 0.01( 0.55%)d 0.11( 9.47%) 208. (0.00506) RY ( 1) C 10 s( 3.67%)p24.73( 90.71%)d 1.53( 5.62%) 0.0000 0.0033 0.1914 -0.0050 0.0061 0.3484 0.0157 0.5928 0.0130 0.6586 0.0251 0.0483 0.1856 -0.0674 0.1195 209. (0.00337) RY ( 2) C 10 s( 0.04%)p99.99( 95.45%)d99.99( 4.50%) 0.0000 0.0143 0.0128 0.0085 -0.0104 -0.3622 0.0011 -0.5896 0.0006 0.6897 0.1855 -0.0580 0.0646 -0.0538 0.0135 210. (0.00260) RY ( 3) C 10 s( 5.56%)p15.40( 85.60%)d 1.59( 8.84%) 0.0000 0.0004 0.2355 -0.0116 -0.0095 -0.8079 -0.0015 0.4461 0.0066 -0.0645 0.1027 0.1699 -0.1106 -0.1531 0.1155 211. (0.00061) RY ( 4) C 10 s( 86.18%)p 0.09( 7.57%)d 0.07( 6.26%) 0.0000 0.0021 0.9233 -0.0959 -0.0009 0.1623 0.0063 -0.1920 0.0078 -0.1112 0.1048 -0.0643 -0.1310 0.0217 -0.1726 212. (0.00034) RY ( 5) C 10 s( 0.25%)p 6.25( 1.57%)d99.99( 98.18%) 0.0000 -0.0018 0.0500 0.0021 0.0121 -0.1103 -0.0034 0.0244 0.0111 -0.0513 0.1987 0.2946 0.5022 0.7696 -0.1048 213. (0.00029) RY ( 6) C 10 s( 0.26%)p 2.88( 0.75%)d99.99( 98.99%) 0.0000 0.0015 0.0232 0.0454 0.0011 -0.0086 0.0089 -0.0847 0.0023 0.0133 -0.3478 0.5696 0.3116 -0.4035 -0.5335 214. (0.00010) RY ( 7) C 10 s( 2.83%)p 1.22( 3.45%)d33.16( 93.72%) 215. (0.00006) RY ( 8) C 10 s( 8.85%)p 1.10( 9.74%)d 9.20( 81.41%) 216. (0.00003) RY ( 9) C 10 s( 4.45%)p 1.01( 4.51%)d20.47( 91.04%) 217. (0.00001) RY (10) C 10 s( 87.91%)p 0.01( 0.90%)d 0.13( 11.19%) 218. (0.00408) RY ( 1) C 11 s( 1.47%)p61.84( 90.82%)d 5.25( 7.71%) 0.0000 -0.0129 0.1202 -0.0079 -0.0164 -0.4273 0.0095 0.1849 -0.0267 -0.8309 0.1149 -0.0480 0.2457 0.0186 0.0294 219. (0.00207) RY ( 2) C 11 s( 5.81%)p15.03( 87.33%)d 1.18( 6.86%) 0.0000 0.0013 0.2409 -0.0085 0.0012 0.6650 -0.0108 -0.5071 -0.0005 -0.4170 0.0241 0.1515 0.0445 -0.2075 -0.0005 220. (0.00092) RY ( 3) C 11 s( 0.04%)p99.99( 75.89%)d99.99( 24.07%) 0.0000 0.0187 -0.0006 -0.0040 0.0095 -0.5461 0.0004 -0.6648 -0.0041 0.1366 -0.2872 0.1550 0.1820 -0.2818 0.1471 221. (0.00038) RY ( 4) C 11 s( 85.62%)p 0.06( 4.84%)d 0.11( 9.55%) 0.0000 0.0016 0.9152 -0.1366 -0.0035 -0.0796 -0.0099 0.1351 0.0041 0.1538 -0.2632 -0.1319 -0.0704 0.0326 -0.0529 222. (0.00021) RY ( 5) C 11 s( 0.00%)p 1.00( 0.40%)d99.99( 99.60%) 0.0000 0.0006 -0.0013 0.0044 0.0019 0.0555 0.0011 -0.0126 -0.0075 0.0265 0.1764 -0.6780 -0.0681 -0.3368 0.6221 223. (0.00010) RY ( 6) C 11 s( 6.46%)p 3.86( 24.91%)d10.63( 68.64%) 224. (0.00003) RY ( 7) C 11 s( 4.16%)p 1.34( 5.58%)d21.70( 90.26%) 225. (0.00001) RY ( 8) C 11 s( 16.96%)p 0.15( 2.60%)d 4.74( 80.44%) 226. (0.00001) RY ( 9) C 11 s( 35.80%)p 0.09( 3.21%)d 1.70( 60.99%) 227. (0.00000) RY (10) C 11 s( 43.74%)p 0.11( 4.65%)d 1.18( 51.61%) 228. (0.00106) RY ( 1) H 12 s(100.00%) -0.0012 1.0000 229. (0.00157) RY ( 1) H 13 s(100.00%) -0.0028 1.0000 230. (0.00389) RY ( 1) C 14 s( 2.15%)p42.06( 90.28%)d 3.53( 7.57%) 0.0000 -0.0162 0.1454 -0.0073 0.0242 0.5628 0.0304 0.7451 0.0028 0.1716 -0.1231 0.1150 0.1741 -0.0129 0.1298 231. (0.00144) RY ( 2) C 14 s( 1.91%)p39.57( 75.74%)d11.67( 22.34%) 0.0000 0.0173 0.1371 -0.0063 -0.0084 -0.0807 -0.0009 -0.1606 0.0105 0.8514 0.3253 -0.1569 0.1259 -0.0758 0.2672 232. (0.00078) RY ( 3) C 14 s( 0.02%)p99.99( 89.74%)d99.99( 10.23%) 0.0000 -0.0049 0.0072 0.0130 -0.0152 0.7539 0.0124 -0.5731 -0.0037 0.0153 -0.1514 -0.1849 0.1298 -0.0363 -0.1644 233. (0.00028) RY ( 4) C 14 s( 86.84%)p 0.02( 2.11%)d 0.13( 11.05%) 0.0000 -0.0002 0.9067 -0.2153 -0.0089 -0.0008 -0.0029 -0.0505 0.0047 -0.1356 0.0431 -0.0935 -0.3066 0.0761 -0.0106 234. (0.00019) RY ( 5) C 14 s( 0.02%)p65.49( 1.03%)d99.99( 98.96%) 0.0000 0.0007 -0.0033 0.0121 0.0066 0.0526 -0.0007 -0.0857 0.0029 0.0093 0.1605 0.2327 0.1734 0.9358 0.0617 235. (0.00009) RY ( 6) C 14 s( 2.77%)p 3.29( 9.10%)d31.83( 88.13%) 236. (0.00003) RY ( 7) C 14 s( 16.42%)p 1.06( 17.39%)d 4.03( 66.19%) 237. (0.00001) RY ( 8) C 14 s( 21.04%)p 0.14( 2.92%)d 3.61( 76.03%) 238. (0.00000) RY ( 9) C 14 s( 9.19%)p 0.71( 6.53%)d 9.17( 84.27%) 239. (0.00000) RY (10) C 14 s( 59.69%)p 0.09( 5.37%)d 0.59( 34.94%) 240. (0.00096) RY ( 1) H 15 s(100.00%) -0.0014 1.0000 241. (0.00157) RY ( 1) H 16 s(100.00%) -0.0028 1.0000 242. (0.00391) RY ( 1) C 17 s( 2.19%)p41.20( 90.30%)d 3.43( 7.51%) 0.0000 -0.0157 0.1470 -0.0077 0.0217 0.4522 -0.0217 -0.5562 -0.0244 -0.6226 0.1515 0.1479 0.0454 -0.1171 0.1204 243. (0.00142) RY ( 2) C 17 s( 1.88%)p40.23( 75.70%)d11.92( 22.42%) 0.0000 0.0173 0.1359 -0.0071 -0.0126 -0.7313 -0.0027 -0.0370 -0.0016 -0.4697 -0.0227 0.1243 0.3757 0.2570 -0.0318 244. (0.00081) RY ( 3) C 17 s( 0.04%)p99.99( 90.85%)d99.99( 9.11%) 0.0000 0.0030 0.0137 -0.0135 0.0028 -0.2377 0.0169 -0.7672 -0.0122 0.5128 -0.1662 0.1040 -0.0159 0.1250 0.1918 245. (0.00026) RY ( 4) C 17 s( 85.85%)p 0.02( 1.94%)d 0.14( 12.21%) 0.0000 -0.0002 0.8933 -0.2460 -0.0092 0.0829 -0.0001 0.0766 0.0045 0.0811 -0.1471 -0.0401 -0.2006 0.1979 -0.1395 246. (0.00018) RY ( 5) C 17 s( 0.01%)p70.79( 0.99%)d99.99( 98.99%) 0.0000 0.0007 0.0113 0.0034 0.0015 0.0008 0.0023 0.0918 -0.0052 -0.0383 0.3856 -0.3630 -0.1592 0.4664 0.6831 247. (0.00008) RY ( 6) C 17 s( 1.70%)p 4.72( 8.02%)d53.14( 90.29%) 248. (0.00003) RY ( 7) C 17 s( 13.68%)p 1.29( 17.61%)d 5.02( 68.71%) 249. (0.00001) RY ( 8) C 17 s( 25.36%)p 0.11( 2.80%)d 2.83( 71.85%) 250. (0.00000) RY ( 9) C 17 s( 10.44%)p 0.67( 6.98%)d 7.91( 82.58%) 251. (0.00000) RY (10) C 17 s( 58.91%)p 0.09( 5.04%)d 0.61( 36.05%) 252. (0.00415) RY ( 1) C 18 s( 1.33%)p68.71( 91.10%)d 5.71( 7.57%) 0.0000 -0.0136 0.1141 -0.0077 0.0139 0.3993 -0.0099 -0.1234 0.0299 0.8574 0.1220 -0.0436 0.2421 0.0050 0.0171 253. (0.00209) RY ( 2) C 18 s( 4.06%)p20.90( 84.74%)d 2.76( 11.20%) 0.0000 0.0050 0.2010 -0.0111 -0.0050 0.4704 0.0131 0.7803 0.0002 -0.1304 -0.1670 0.1391 0.0987 -0.2252 0.0659 254. (0.00079) RY ( 3) C 18 s( 0.23%)p99.99( 76.38%)d99.99( 23.40%) 0.0000 0.0175 0.0441 -0.0038 0.0087 -0.7024 0.0032 0.3633 -0.0047 0.3718 0.1716 0.3043 -0.0166 -0.3339 -0.0125 255. (0.00032) RY ( 4) C 18 s( 87.45%)p 0.05( 4.17%)d 0.10( 8.38%) 0.0000 0.0000 0.9171 -0.1828 -0.0056 -0.0429 0.0091 -0.1814 0.0005 -0.0830 0.0501 0.0584 -0.1644 0.0194 -0.2247 256. (0.00021) RY ( 5) C 18 s( 1.15%)p 0.44( 0.51%)d85.55( 98.34%) 0.0000 -0.0004 0.0970 -0.0458 -0.0082 -0.0159 -0.0017 -0.0152 -0.0052 0.0672 0.0085 -0.5929 -0.4054 -0.4310 0.5307 257. (0.00008) RY ( 6) C 18 s( 6.69%)p 3.54( 23.70%)d10.40( 69.60%) 258. (0.00002) RY ( 7) C 18 s( 16.41%)p 0.49( 8.07%)d 4.60( 75.52%) 259. (0.00001) RY ( 8) C 18 s( 3.15%)p 0.42( 1.32%)d30.28( 95.52%) 260. (0.00000) RY ( 9) C 18 s( 18.38%)p 0.31( 5.65%)d 4.13( 75.97%) 261. (0.00000) RY (10) C 18 s( 61.21%)p 0.07( 4.58%)d 0.56( 34.21%) 262. (0.00170) RY ( 1) H 19 s(100.00%) -0.0032 1.0000 263. (0.00114) RY ( 1) H 20 s(100.00%) -0.0017 1.0000 264. (0.00156) RY ( 1) H 21 s(100.00%) -0.0028 1.0000 265. (0.00095) RY ( 1) H 22 s(100.00%) -0.0014 1.0000 266. (0.00235) RY ( 1) H 23 s(100.00%) -0.0050 1.0000 267. (0.00203) RY ( 1) H 24 s(100.00%) -0.0038 1.0000 268. (0.00141) RY ( 1) H 25 s(100.00%) -0.0028 1.0000 269. (0.00107) RY ( 1) H 26 s(100.00%) -0.0016 1.0000 270. (0.00130) RY ( 1) H 27 s(100.00%) -0.0042 1.0000 271. (0.00230) RY ( 1)Br 28 s( 20.42%)p 1.61( 32.90%)d 2.29( 46.69%) 0.0000 0.0000 0.0000 0.0127 0.4516 0.0068 0.0078 0.0015 0.0000 0.0000 -0.0080 -0.0959 0.0000 0.0000 -0.0269 0.4868 0.0000 0.0000 -0.0443 0.2828 0.0000 0.0378 0.0000 -0.0177 0.0000 0.6327 0.0000 -0.2036 0.0000 0.1528 272. (0.00100) RY ( 2)Br 28 s( 0.11%)p99.99( 37.31%)d99.99( 62.58%) 0.0000 0.0000 0.0000 0.0031 0.0323 -0.0044 0.0027 -0.0018 0.0000 0.0000 -0.0119 0.6045 0.0000 0.0000 -0.0044 0.0796 0.0000 0.0000 -0.0102 -0.0325 0.0000 0.3044 0.0000 0.6595 0.0000 0.1267 0.0000 0.1407 0.0000 -0.2498 273. (0.00074) RY ( 3)Br 28 s( 10.52%)p 4.59( 48.26%)d 3.92( 41.23%) 0.0000 0.0000 0.0000 0.0092 0.3222 -0.0306 0.0178 0.0035 0.0000 0.0000 -0.0120 0.1520 0.0000 0.0000 0.0015 -0.4113 0.0000 0.0000 -0.0431 0.5369 0.0000 -0.1669 0.0000 0.2098 0.0000 -0.2046 0.0000 0.1287 0.0000 0.5310 274. (0.00031) RY ( 4)Br 28 s( 0.88%)p 3.69( 3.25%)d99.99( 95.87%) 0.0000 0.0000 0.0000 -0.0019 0.0777 0.0518 0.0082 0.0003 0.0000 0.0000 0.0048 -0.0431 0.0000 0.0000 0.0049 0.1665 0.0000 0.0000 0.0103 -0.0525 0.0000 -0.8743 0.0000 0.3405 0.0000 -0.0596 0.0000 -0.0607 0.0000 -0.2667 275. (0.00021) RY ( 5)Br 28 s( 26.72%)p 0.58( 15.61%)d 2.16( 57.66%) 0.0000 0.0000 0.0000 -0.0101 0.5032 0.0935 0.0720 -0.0003 0.0000 0.0000 0.0068 0.1595 0.0000 0.0000 0.0171 0.3323 0.0000 0.0000 0.0221 0.1395 0.0000 0.1461 0.0000 -0.2438 0.0000 -0.6269 0.0000 -0.1010 0.0000 -0.3044 276. (0.00017) RY ( 6)Br 28 s( 0.31%)p18.60( 5.68%)d99.99( 94.01%) 0.0000 0.0000 0.0000 -0.0066 0.0272 -0.0053 0.0463 -0.0101 0.0000 0.0000 0.0015 -0.0588 0.0000 0.0000 0.0114 0.0993 0.0000 0.0000 0.0111 0.2080 0.0000 -0.0763 0.0000 -0.2220 0.0000 0.1471 0.0000 0.8999 0.0000 -0.2316 277. (0.00010) RY ( 7)Br 28 s( 38.33%)p 1.40( 53.71%)d 0.21( 7.97%) 278. (0.00004) RY ( 8)Br 28 s( 95.83%)p 0.03( 3.00%)d 0.01( 1.17%) 279. (0.00003) RY ( 9)Br 28 s( 0.77%)p64.84( 50.05%)d63.70( 49.17%) 280. (0.00001) RY (10)Br 28 s( 7.89%)p 6.28( 49.59%)d 5.39( 42.52%) 281. (0.00000) RY (11)Br 28 s( 98.29%)p 0.01( 1.21%)d 0.01( 0.50%) 282. (0.00000) RY (12)Br 28 s( 99.95%)p 0.00( 0.04%)d 0.00( 0.01%) 283. (0.00242) RY ( 1) C 29 s( 0.83%)p99.99( 91.38%)d 9.41( 7.80%) 0.0000 -0.0055 0.0908 0.0032 -0.0049 -0.4360 0.0125 0.7456 -0.0060 -0.4092 0.0024 0.1328 -0.1187 0.0651 0.2049 284. (0.00210) RY ( 2) C 29 s( 1.87%)p47.83( 89.61%)d 4.55( 8.52%) 0.0000 -0.0053 0.1368 -0.0006 0.0179 0.8469 0.0076 0.3107 -0.0058 -0.2862 -0.2149 -0.1411 0.0189 0.0466 0.1287 285. (0.00103) RY ( 3) C 29 s( 59.70%)p 0.64( 38.09%)d 0.04( 2.21%) 0.0000 -0.0184 0.7724 0.0115 -0.0015 -0.0019 -0.0067 0.2493 -0.0069 0.5644 0.0607 0.0045 0.1154 -0.0546 -0.0461 286. (0.00015) RY ( 4) C 29 s( 35.22%)p 1.67( 58.73%)d 0.17( 6.05%) 0.0000 0.0258 0.5813 -0.1167 -0.0042 -0.0628 0.0056 -0.4347 0.0142 -0.6278 0.1604 0.1116 -0.0316 -0.0485 -0.1379 287. (0.00005) RY ( 5) C 29 s( 2.86%)p 4.25( 12.14%)d29.75( 85.00%) 288. (0.00003) RY ( 6) C 29 s( 0.21%)p30.89( 6.57%)d99.99( 93.22%) 289. (0.00001) RY ( 7) C 29 s( 5.70%)p 0.17( 0.95%)d16.38( 93.35%) 290. (0.00001) RY ( 8) C 29 s( 0.37%)p 2.26( 0.84%)d99.99( 98.78%) 291. (0.00001) RY ( 9) C 29 s( 3.02%)p 0.20( 0.61%)d31.95( 96.38%) 292. (0.00000) RY (10) C 29 s( 90.34%)p 0.01( 1.29%)d 0.09( 8.37%) 293. (0.00059) RY ( 1) H 30 s(100.00%) -0.0004 1.0000 294. (0.00065) RY ( 1) H 31 s(100.00%) -0.0004 1.0000 295. (0.00056) RY ( 1) H 32 s(100.00%) -0.0007 1.0000 296. (0.00142) RY ( 1) H 33 s(100.00%) -0.0024 1.0000 297. (0.00090) RY ( 1) H 34 s(100.00%) -0.0013 1.0000 298. (0.00126) RY ( 1) H 35 s(100.00%) -0.0022 1.0000 299. (0.00092) RY ( 1) H 36 s(100.00%) -0.0014 1.0000 300. (0.00150) RY ( 1) H 37 s(100.00%) -0.0029 1.0000 301. (0.00085) RY ( 1) H 38 s(100.00%) -0.0013 1.0000 302. (0.00122) RY ( 1) H 39 s(100.00%) -0.0029 1.0000 303. (0.00120) RY ( 1) H 40 s(100.00%) -0.0021 1.0000 NHO DIRECTIONALITY AND BOND BENDING (deviation from line of nuclear centers at the position of maximum hybrid amplitude) [Thresholds for printing: angular deviation > 1.0 degree] p- or d-character > 25.0% orbital occupancy > 0.10e Line of Centers Hybrid 1 Hybrid 2 --------------- ------------------- ------------------ NBO Theta Phi Theta Phi Dev Theta Phi Dev =============================================================================== 31. LP ( 2)Br 28 -- -- 107.4 15.0 -- -- -- -- 32. BD ( 1) C 1- C 2 138.5 128.3 -- -- -- 40.4 307.6 1.1 33. BD ( 1) C 1- C 6 99.0 348.2 100.0 346.9 1.7 80.8 169.4 1.2 36. BD ( 1) C 2- C 3 104.1 54.6 104.1 55.7 1.1 -- -- -- 42. BD ( 1) C 4- C 5 43.8 309.5 42.5 309.0 1.3 -- -- -- 45. BD ( 1) C 5- C 6 72.6 229.8 75.4 231.3 3.2 110.0 48.7 2.8 46. BD ( 1) C 5- C 10 107.2 337.7 -- -- -- 71.6 156.4 1.7 48. BD ( 1) C 6- C 7 73.1 292.7 67.7 293.8 5.5 101.9 111.2 5.2 49. BD ( 1) C 6-Br 28 130.6 269.4 153.1 251.6 24.9 74.6 99.0 26.5 50. BD ( 1) C 7- C 8 80.0 352.3 81.8 352.2 1.8 101.4 172.4 1.5 52. BD ( 1) C 7-Br 28 159.4 219.4 153.9 247.9 12.4 23.0 336.1 22.6 53. BD ( 1) C 8- C 9 110.5 49.1 110.8 50.5 1.3 -- -- -- 56. BD ( 1) C 9- C 10 133.1 125.3 133.8 127.5 1.8 45.7 304.4 1.3 57. BD ( 1) C 9- C 18 110.8 334.0 110.6 332.6 1.2 -- -- -- 59. BD ( 1) C 10- C 11 106.5 46.9 105.4 49.2 2.4 -- -- -- 66. BD ( 1) C 14- C 17 48.2 304.4 48.5 305.9 1.2 132.7 123.3 1.2 67. BD ( 1) C 17- C 18 71.8 226.7 71.7 227.9 1.2 107.6 45.6 1.2 73. BD ( 1) C 29- H 31 37.4 301.2 38.3 300.2 1.1 -- -- -- SECOND ORDER PERTURBATION THEORY ANALYSIS OF FOCK MATRIX IN NBO BASIS Threshold for printing: 0.50 kcal/mol E(2) E(NL)-E(L) F(L,NL) Donor (L) NBO Acceptor (NL) NBO kcal/mol a.u. a.u. =============================================================================== within unit 1 17. CR ( 3)Br 28 271. RY ( 1)Br 28 0.66 28.78 0.123 17. CR ( 3)Br 28 275. RY ( 5)Br 28 0.62 30.26 0.122 17. CR ( 3)Br 28 278. RY ( 8)Br 28 0.72 35.69 0.143 30. LP ( 1)Br 28 92. BD*( 1) C 6-Br 28 1.09 0.62 0.023 30. LP ( 1)Br 28 95. BD*( 1) C 7-Br 28 0.73 0.69 0.020 30. LP ( 1)Br 28 168. RY ( 1) C 6 0.56 1.61 0.027 31. LP ( 2)Br 28 93. BD*( 1) C 7- C 8 1.15 0.70 0.025 31. LP ( 2)Br 28 94. BD*( 1) C 7- H 27 0.80 0.77 0.022 31. LP ( 2)Br 28 103. BD*( 1) C 10- H 23 1.39 0.77 0.029 31. LP ( 2)Br 28 178. RY ( 1) C 7 0.53 1.28 0.023 32. BD ( 1) C 1- C 2 76. BD*( 1) C 1- C 6 0.61 0.90 0.021 32. BD ( 1) C 1- C 2 77. BD*( 1) C 1- H 39 0.65 0.94 0.022 32. BD ( 1) C 1- C 2 78. BD*( 1) C 1- H 40 0.60 0.97 0.021 32. BD ( 1) C 1- C 2 84. BD*( 1) C 3- H 36 1.44 1.01 0.034 32. BD ( 1) C 1- C 2 91. BD*( 1) C 6- C 7 2.46 0.90 0.042 32. BD ( 1) C 1- C 2 92. BD*( 1) C 6-Br 28 2.13 0.41 0.026 32. BD ( 1) C 1- C 2 138. RY ( 1) C 3 0.90 1.64 0.034 32. BD ( 1) C 1- C 2 170. RY ( 3) C 6 0.61 1.68 0.028 33. BD ( 1) C 1- C 6 75. BD*( 1) C 1- C 2 0.74 0.97 0.024 33. BD ( 1) C 1- C 6 78. BD*( 1) C 1- H 40 0.51 1.05 0.021 33. BD ( 1) C 1- C 6 81. BD*( 1) C 2- H 38 0.92 1.08 0.028 33. BD ( 1) C 1- C 6 88. BD*( 1) C 5- C 6 1.07 0.98 0.029 33. BD ( 1) C 1- C 6 89. BD*( 1) C 5- C 10 1.38 0.96 0.032 33. BD ( 1) C 1- C 6 91. BD*( 1) C 6- C 7 0.66 0.98 0.023 33. BD ( 1) C 1- C 6 93. BD*( 1) C 7- C 8 1.59 0.98 0.035 33. BD ( 1) C 1- C 6 128. RY ( 1) C 2 1.28 1.71 0.042 33. BD ( 1) C 1- C 6 158. RY ( 1) C 5 1.38 1.78 0.044 33. BD ( 1) C 1- C 6 178. RY ( 1) C 7 1.10 1.56 0.037 34. BD ( 1) C 1- H 39 80. BD*( 1) C 2- H 37 2.12 0.95 0.040 34. BD ( 1) C 1- H 39 92. BD*( 1) C 6-Br 28 12.68 0.38 0.062 34. BD ( 1) C 1- H 39 128. RY ( 1) C 2 0.52 1.60 0.026 34. BD ( 1) C 1- H 39 168. RY ( 1) C 6 0.52 1.36 0.024 35. BD ( 1) C 1- H 40 79. BD*( 1) C 2- C 3 2.33 0.89 0.041 35. BD ( 1) C 1- H 40 88. BD*( 1) C 5- C 6 3.93 0.87 0.052 35. BD ( 1) C 1- H 40 129. RY ( 2) C 2 0.73 1.38 0.028 36. BD ( 1) C 2- C 3 78. BD*( 1) C 1- H 40 1.77 0.95 0.037 36. BD ( 1) C 2- C 3 81. BD*( 1) C 2- H 38 0.59 0.99 0.022 36. BD ( 1) C 2- C 3 84. BD*( 1) C 3- H 36 0.53 0.99 0.020 36. BD ( 1) C 2- C 3 87. BD*( 1) C 4- H 34 1.45 0.98 0.034 36. BD ( 1) C 2- C 3 118. RY ( 1) C 1 0.64 1.49 0.028 36. BD ( 1) C 2- C 3 148. RY ( 1) C 4 0.91 1.63 0.034 37. BD ( 1) C 2- H 37 77. BD*( 1) C 1- H 39 2.71 0.87 0.043 37. BD ( 1) C 2- H 37 83. BD*( 1) C 3- H 35 2.41 0.93 0.042 37. BD ( 1) C 2- H 37 118. RY ( 1) C 1 0.57 1.44 0.026 38. BD ( 1) C 2- H 38 76. BD*( 1) C 1- C 6 3.49 0.83 0.048 38. BD ( 1) C 2- H 38 82. BD*( 1) C 3- C 4 2.96 0.85 0.045 38. BD ( 1) C 2- H 38 139. RY ( 2) C 3 0.51 1.46 0.024 39. BD ( 1) C 3- C 4 81. BD*( 1) C 2- H 38 1.57 0.99 0.035 39. BD ( 1) C 3- C 4 84. BD*( 1) C 3- H 36 0.52 0.99 0.020 39. BD ( 1) C 3- C 4 87. BD*( 1) C 4- H 34 0.63 0.98 0.022 39. BD ( 1) C 3- C 4 89. BD*( 1) C 5- C 10 1.81 0.86 0.035 39. BD ( 1) C 3- C 4 128. RY ( 1) C 2 0.99 1.61 0.036 40. BD ( 1) C 3- H 35 80. BD*( 1) C 2- H 37 2.56 0.91 0.043 40. BD ( 1) C 3- H 35 86. BD*( 1) C 4- H 33 2.40 0.91 0.042 40. BD ( 1) C 3- H 35 148. RY ( 1) C 4 0.54 1.57 0.026 41. BD ( 1) C 3- H 36 75. BD*( 1) C 1- C 2 3.43 0.81 0.047 41. BD ( 1) C 3- H 36 85. BD*( 1) C 4- C 5 3.87 0.80 0.050 42. BD ( 1) C 4- C 5 84. BD*( 1) C 3- H 36 1.01 0.99 0.028 42. BD ( 1) C 4- C 5 88. BD*( 1) C 5- C 6 0.79 0.88 0.024 42. BD ( 1) C 4- C 5 89. BD*( 1) C 5- C 10 0.88 0.87 0.025 42. BD ( 1) C 4- C 5 90. BD*( 1) C 5- C 29 0.60 0.82 0.020 42. BD ( 1) C 4- C 5 91. BD*( 1) C 6- C 7 2.71 0.89 0.044 42. BD ( 1) C 4- C 5 92. BD*( 1) C 6-Br 28 1.69 0.40 0.023 42. BD ( 1) C 4- C 5 99. BD*( 1) C 9- C 10 1.66 0.89 0.034 42. BD ( 1) C 4- C 5 116. BD*( 1) C 29- H 31 1.37 0.96 0.032 42. BD ( 1) C 4- C 5 138. RY ( 1) C 3 0.81 1.63 0.032 42. BD ( 1) C 4- C 5 168. RY ( 1) C 6 0.54 1.38 0.024 42. BD ( 1) C 4- C 5 169. RY ( 2) C 6 0.51 1.63 0.026 42. BD ( 1) C 4- C 5 209. RY ( 2) C 10 0.67 1.53 0.029 42. BD ( 1) C 4- C 5 283. RY ( 1) C 29 0.69 1.41 0.028 43. BD ( 1) C 4- H 33 83. BD*( 1) C 3- H 35 2.43 0.92 0.042 43. BD ( 1) C 4- H 33 90. BD*( 1) C 5- C 29 3.24 0.77 0.045 44. BD ( 1) C 4- H 34 79. BD*( 1) C 2- C 3 3.06 0.85 0.045 44. BD ( 1) C 4- H 34 88. BD*( 1) C 5- C 6 3.17 0.83 0.046 44. BD ( 1) C 4- H 34 139. RY ( 2) C 3 0.55 1.46 0.025 45. BD ( 1) C 5- C 6 76. BD*( 1) C 1- C 6 0.92 0.97 0.027 45. BD ( 1) C 5- C 6 78. BD*( 1) C 1- H 40 0.77 1.04 0.025 45. BD ( 1) C 5- C 6 85. BD*( 1) C 4- C 5 0.95 0.95 0.027 45. BD ( 1) C 5- C 6 87. BD*( 1) C 4- H 34 0.97 1.07 0.029 45. BD ( 1) C 5- C 6 89. BD*( 1) C 5- C 10 0.93 0.95 0.027 45. BD ( 1) C 5- C 6 91. BD*( 1) C 6- C 7 0.92 0.97 0.027 45. BD ( 1) C 5- C 6 94. BD*( 1) C 7- H 27 1.17 1.04 0.031 45. BD ( 1) C 5- C 6 102. BD*( 1) C 10- C 11 1.30 0.99 0.032 45. BD ( 1) C 5- C 6 117. BD*( 1) C 29- H 32 1.16 1.06 0.031 45. BD ( 1) C 5- C 6 118. RY ( 1) C 1 1.09 1.58 0.037 45. BD ( 1) C 5- C 6 148. RY ( 1) C 4 0.84 1.72 0.034 45. BD ( 1) C 5- C 6 178. RY ( 1) C 7 1.07 1.55 0.036 45. BD ( 1) C 5- C 6 209. RY ( 2) C 10 0.70 1.62 0.030 45. BD ( 1) C 5- C 6 284. RY ( 2) C 29 0.78 1.51 0.031 46. BD ( 1) C 5- C 10 76. BD*( 1) C 1- C 6 2.66 0.88 0.043 46. BD ( 1) C 5- C 10 82. BD*( 1) C 3- C 4 1.52 0.90 0.033 46. BD ( 1) C 5- C 10 85. BD*( 1) C 4- C 5 0.88 0.86 0.025 46. BD ( 1) C 5- C 10 88. BD*( 1) C 5- C 6 0.74 0.88 0.023 46. BD ( 1) C 5- C 10 90. BD*( 1) C 5- C 29 0.78 0.82 0.023 46. BD ( 1) C 5- C 10 100. BD*( 1) C 9- C 18 1.42 0.91 0.032 46. BD ( 1) C 5- C 10 102. BD*( 1) C 10- C 11 0.64 0.90 0.021 46. BD ( 1) C 5- C 10 106. BD*( 1) C 11- C 14 1.15 0.93 0.029 46. BD ( 1) C 5- C 10 115. BD*( 1) C 29- H 30 1.21 0.97 0.031 46. BD ( 1) C 5- C 10 149. RY ( 2) C 4 0.77 1.43 0.030 46. BD ( 1) C 5- C 10 169. RY ( 2) C 6 0.57 1.63 0.027 46. BD ( 1) C 5- C 10 199. RY ( 2) C 9 0.64 1.56 0.028 46. BD ( 1) C 5- C 10 219. RY ( 2) C 11 0.87 1.44 0.032 47. BD ( 1) C 5- C 29 85. BD*( 1) C 4- C 5 0.57 0.86 0.020 47. BD ( 1) C 5- C 29 86. BD*( 1) C 4- H 33 1.27 0.96 0.031 47. BD ( 1) C 5- C 29 88. BD*( 1) C 5- C 6 0.69 0.88 0.022 47. BD ( 1) C 5- C 29 89. BD*( 1) C 5- C 10 0.63 0.86 0.021 47. BD ( 1) C 5- C 29 92. BD*( 1) C 6-Br 28 12.64 0.39 0.063 47. BD ( 1) C 5- C 29 103. BD*( 1) C 10- H 23 1.23 0.95 0.031 47. BD ( 1) C 5- C 29 148. RY ( 1) C 4 0.88 1.63 0.034 47. BD ( 1) C 5- C 29 168. RY ( 1) C 6 0.75 1.38 0.029 47. BD ( 1) C 5- C 29 171. RY ( 4) C 6 0.64 1.99 0.032 47. BD ( 1) C 5- C 29 208. RY ( 1) C 10 1.01 1.73 0.037 48. BD ( 1) C 6- C 7 75. BD*( 1) C 1- C 2 0.91 1.02 0.027 48. BD ( 1) C 6- C 7 76. BD*( 1) C 1- C 6 0.72 1.03 0.024 48. BD ( 1) C 6- C 7 85. BD*( 1) C 4- C 5 1.00 1.01 0.028 48. BD ( 1) C 6- C 7 88. BD*( 1) C 5- C 6 1.02 1.03 0.029 48. BD ( 1) C 6- C 7 93. BD*( 1) C 7- C 8 0.86 1.03 0.027 48. BD ( 1) C 6- C 7 94. BD*( 1) C 7- H 27 0.68 1.10 0.024 48. BD ( 1) C 6- C 7 97. BD*( 1) C 8- H 25 0.74 1.10 0.025 48. BD ( 1) C 6- C 7 118. RY ( 1) C 1 1.19 1.64 0.039 48. BD ( 1) C 6- C 7 158. RY ( 1) C 5 1.51 1.83 0.047 48. BD ( 1) C 6- C 7 189. RY ( 2) C 8 1.46 1.45 0.041 48. BD ( 1) C 6- C 7 271. RY ( 1)Br 28 0.51 1.24 0.022 49. BD ( 1) C 6-Br 28 77. BD*( 1) C 1- H 39 2.45 0.79 0.039 49. BD ( 1) C 6-Br 28 90. BD*( 1) C 5- C 29 2.08 0.69 0.034 49. BD ( 1) C 6-Br 28 92. BD*( 1) C 6-Br 28 0.63 0.27 0.012 49. BD ( 1) C 6-Br 28 93. BD*( 1) C 7- C 8 1.01 0.75 0.025 49. BD ( 1) C 6-Br 28 94. BD*( 1) C 7- H 27 0.54 0.82 0.019 49. BD ( 1) C 6-Br 28 95. BD*( 1) C 7-Br 28 24.49 0.33 0.080 49. BD ( 1) C 6-Br 28 179. RY ( 2) C 7 1.07 1.23 0.032 49. BD ( 1) C 6-Br 28 273. RY ( 3)Br 28 0.61 0.99 0.022 50. BD ( 1) C 7- C 8 76. BD*( 1) C 1- C 6 2.02 0.97 0.039 50. BD ( 1) C 7- C 8 91. BD*( 1) C 6- C 7 0.85 0.97 0.026 50. BD ( 1) C 7- C 8 94. BD*( 1) C 7- H 27 0.70 1.04 0.024 50. BD ( 1) C 7- C 8 96. BD*( 1) C 8- C 9 0.53 0.96 0.020 50. BD ( 1) C 7- C 8 97. BD*( 1) C 8- H 25 0.50 1.04 0.020 50. BD ( 1) C 7- C 8 100. BD*( 1) C 9- C 18 0.71 0.99 0.024 50. BD ( 1) C 7- C 8 170. RY ( 3) C 6 1.13 1.75 0.040 50. BD ( 1) C 7- C 8 200. RY ( 3) C 9 0.72 1.66 0.031 51. BD ( 1) C 7- H 27 88. BD*( 1) C 5- C 6 3.09 0.92 0.048 51. BD ( 1) C 7- H 27 96. BD*( 1) C 8- C 9 2.12 0.92 0.039 51. BD ( 1) C 7- H 27 169. RY ( 2) C 6 0.97 1.67 0.036 52. BD ( 1) C 7-Br 28 92. BD*( 1) C 6-Br 28 15.49 0.36 0.067 52. BD ( 1) C 7-Br 28 95. BD*( 1) C 7-Br 28 0.76 0.42 0.016 52. BD ( 1) C 7-Br 28 98. BD*( 1) C 8- H 26 1.73 0.91 0.035 52. BD ( 1) C 7-Br 28 170. RY ( 3) C 6 0.54 1.63 0.026 52. BD ( 1) C 7-Br 28 188. RY ( 1) C 8 1.39 1.42 0.040 53. BD ( 1) C 8- C 9 94. BD*( 1) C 7- H 27 1.65 0.96 0.035 53. BD ( 1) C 8- C 9 97. BD*( 1) C 8- H 25 0.65 0.96 0.022 53. BD ( 1) C 8- C 9 98. BD*( 1) C 8- H 26 0.60 0.95 0.021 53. BD ( 1) C 8- C 9 100. BD*( 1) C 9- C 18 0.52 0.91 0.019 53. BD ( 1) C 8- C 9 102. BD*( 1) C 10- C 11 1.59 0.91 0.034 53. BD ( 1) C 8- C 9 110. BD*( 1) C 17- C 18 1.59 0.94 0.034 53. BD ( 1) C 8- C 9 180. RY ( 3) C 7 0.55 1.54 0.026 53. BD ( 1) C 8- C 9 253. RY ( 2) C 18 1.21 1.46 0.038 54. BD ( 1) C 8- H 25 91. BD*( 1) C 6- C 7 3.18 0.85 0.047 54. BD ( 1) C 8- H 25 95. BD*( 1) C 7-Br 28 2.58 0.43 0.030 54. BD ( 1) C 8- H 25 100. BD*( 1) C 9- C 18 0.51 0.88 0.019 54. BD ( 1) C 8- H 25 101. BD*( 1) C 9- H 24 0.96 0.94 0.027 54. BD ( 1) C 8- H 25 179. RY ( 2) C 7 0.55 1.33 0.024 55. BD ( 1) C 8- H 26 91. BD*( 1) C 6- C 7 0.52 0.85 0.019 55. BD ( 1) C 8- H 26 95. BD*( 1) C 7-Br 28 7.98 0.43 0.052 55. BD ( 1) C 8- H 26 99. BD*( 1) C 9- C 10 1.79 0.86 0.035 55. BD ( 1) C 8- H 26 198. RY ( 1) C 9 0.82 1.69 0.033 56. BD ( 1) C 9- C 10 85. BD*( 1) C 4- C 5 1.87 0.85 0.035 56. BD ( 1) C 9- C 10 98. BD*( 1) C 8- H 26 0.79 0.93 0.024 56. BD ( 1) C 9- C 10 100. BD*( 1) C 9- C 18 0.74 0.90 0.023 56. BD ( 1) C 9- C 10 102. BD*( 1) C 10- C 11 0.81 0.89 0.024 56. BD ( 1) C 9- C 10 103. BD*( 1) C 10- H 23 0.56 0.94 0.020 56. BD ( 1) C 9- C 10 104. BD*( 1) C 11- H 12 1.33 0.99 0.032 56. BD ( 1) C 9- C 10 114. BD*( 1) C 18- H 20 1.22 0.99 0.031 56. BD ( 1) C 9- C 10 159. RY ( 2) C 5 1.20 1.57 0.039 56. BD ( 1) C 9- C 10 218. RY ( 1) C 11 1.22 1.68 0.040 56. BD ( 1) C 9- C 10 252. RY ( 1) C 18 1.15 1.66 0.039 57. BD ( 1) C 9- C 18 89. BD*( 1) C 5- C 10 2.35 0.84 0.040 57. BD ( 1) C 9- C 18 93. BD*( 1) C 7- C 8 1.51 0.86 0.032 57. BD ( 1) C 9- C 18 96. BD*( 1) C 8- C 9 0.57 0.86 0.020 57. BD ( 1) C 9- C 18 99. BD*( 1) C 9- C 10 0.85 0.87 0.024 57. BD ( 1) C 9- C 18 101. BD*( 1) C 9- H 24 0.65 0.95 0.022 57. BD ( 1) C 9- C 18 112. BD*( 1) C 17- H 22 1.29 1.00 0.032 57. BD ( 1) C 9- C 18 188. RY ( 1) C 8 0.79 1.43 0.030 57. BD ( 1) C 9- C 18 210. RY ( 3) C 10 0.75 1.65 0.031 57. BD ( 1) C 9- C 18 242. RY ( 1) C 17 1.04 1.65 0.037 58. BD ( 1) C 9- H 24 97. BD*( 1) C 8- H 25 1.43 0.89 0.032 58. BD ( 1) C 9- H 24 103. BD*( 1) C 10- H 23 2.58 0.90 0.043 58. BD ( 1) C 9- H 24 113. BD*( 1) C 18- H 19 2.42 0.92 0.042 58. BD ( 1) C 9- H 24 188. RY ( 1) C 8 0.65 1.39 0.027 59. BD ( 1) C 10- C 11 88. BD*( 1) C 5- C 6 2.04 0.86 0.037 59. BD ( 1) C 10- C 11 89. BD*( 1) C 5- C 10 0.74 0.84 0.022 59. BD ( 1) C 10- C 11 96. BD*( 1) C 8- C 9 2.37 0.86 0.040 59. BD ( 1) C 10- C 11 99. BD*( 1) C 9- C 10 0.94 0.87 0.026 59. BD ( 1) C 10- C 11 103. BD*( 1) C 10- H 23 0.69 0.94 0.023 59. BD ( 1) C 10- C 11 107. BD*( 1) C 14- H 15 1.15 1.00 0.030 59. BD ( 1) C 10- C 11 160. RY ( 3) C 5 0.91 1.59 0.034 59. BD ( 1) C 10- C 11 198. RY ( 1) C 9 0.62 1.70 0.029 59. BD ( 1) C 10- C 11 199. RY ( 2) C 9 0.53 1.54 0.025 59. BD ( 1) C 10- C 11 230. RY ( 1) C 14 1.06 1.66 0.037 60. BD ( 1) C 10- H 23 90. BD*( 1) C 5- C 29 3.54 0.76 0.046 60. BD ( 1) C 10- H 23 101. BD*( 1) C 9- H 24 2.37 0.91 0.041 60. BD ( 1) C 10- H 23 105. BD*( 1) C 11- H 13 2.52 0.92 0.043 60. BD ( 1) C 10- H 23 198. RY ( 1) C 9 0.57 1.66 0.027 61. BD ( 1) C 11- H 12 99. BD*( 1) C 9- C 10 2.92 0.82 0.044 61. BD ( 1) C 11- H 12 109. BD*( 1) C 14- C 17 2.82 0.86 0.044 61. BD ( 1) C 11- H 12 231. RY ( 2) C 14 0.66 1.48 0.028 62. BD ( 1) C 11- H 13 103. BD*( 1) C 10- H 23 2.31 0.88 0.040 62. BD ( 1) C 11- H 13 108. BD*( 1) C 14- H 16 2.35 0.92 0.042 62. BD ( 1) C 11- H 13 117. BD*( 1) C 29- H 32 0.53 0.90 0.019 63. BD ( 1) C 11- C 14 89. BD*( 1) C 5- C 10 2.67 0.83 0.042 63. BD ( 1) C 11- C 14 102. BD*( 1) C 10- C 11 0.65 0.87 0.021 63. BD ( 1) C 11- C 14 104. BD*( 1) C 11- H 12 0.64 0.97 0.022 63. BD ( 1) C 11- C 14 105. BD*( 1) C 11- H 13 0.51 0.95 0.020 63. BD ( 1) C 11- C 14 112. BD*( 1) C 17- H 22 1.55 0.99 0.035 63. BD ( 1) C 11- C 14 210. RY ( 3) C 10 0.85 1.64 0.033 63. BD ( 1) C 11- C 14 242. RY ( 1) C 17 0.96 1.64 0.035 64. BD ( 1) C 14- H 15 102. BD*( 1) C 10- C 11 3.30 0.81 0.046 64. BD ( 1) C 14- H 15 110. BD*( 1) C 17- C 18 2.98 0.84 0.045 64. BD ( 1) C 14- H 15 220. RY ( 3) C 11 0.58 1.49 0.026 65. BD ( 1) C 14- H 16 105. BD*( 1) C 11- H 13 2.54 0.89 0.043 65. BD ( 1) C 14- H 16 111. BD*( 1) C 17- H 21 2.52 0.91 0.043 66. BD ( 1) C 14- C 17 104. BD*( 1) C 11- H 12 1.54 0.96 0.034 66. BD ( 1) C 14- C 17 107. BD*( 1) C 14- H 15 0.52 0.98 0.020 66. BD ( 1) C 14- C 17 112. BD*( 1) C 17- H 22 0.52 0.98 0.020 66. BD ( 1) C 14- C 17 114. BD*( 1) C 18- H 20 1.70 0.96 0.036 66. BD ( 1) C 14- C 17 218. RY ( 1) C 11 0.97 1.65 0.036 66. BD ( 1) C 14- C 17 252. RY ( 1) C 18 0.94 1.63 0.035 67. BD ( 1) C 17- C 18 96. BD*( 1) C 8- C 9 2.16 0.85 0.038 67. BD ( 1) C 17- C 18 100. BD*( 1) C 9- C 18 0.51 0.88 0.019 67. BD ( 1) C 17- C 18 107. BD*( 1) C 14- H 15 1.58 0.99 0.035 67. BD ( 1) C 17- C 18 114. BD*( 1) C 18- H 20 0.59 0.97 0.021 67. BD ( 1) C 17- C 18 230. RY ( 1) C 14 0.96 1.64 0.036 68. BD ( 1) C 17- H 21 108. BD*( 1) C 14- H 16 2.57 0.91 0.043 68. BD ( 1) C 17- H 21 113. BD*( 1) C 18- H 19 2.69 0.89 0.044 69. BD ( 1) C 17- H 22 100. BD*( 1) C 9- C 18 3.27 0.82 0.046 69. BD ( 1) C 17- H 22 106. BD*( 1) C 11- C 14 3.07 0.84 0.045 69. BD ( 1) C 17- H 22 254. RY ( 3) C 18 0.57 1.48 0.026 70. BD ( 1) C 18- H 19 101. BD*( 1) C 9- H 24 2.51 0.89 0.042 70. BD ( 1) C 18- H 19 111. BD*( 1) C 17- H 21 2.36 0.92 0.042 71. BD ( 1) C 18- H 20 99. BD*( 1) C 9- C 10 3.23 0.81 0.046 71. BD ( 1) C 18- H 20 109. BD*( 1) C 14- C 17 2.76 0.86 0.044 71. BD ( 1) C 18- H 20 243. RY ( 2) C 17 0.61 1.48 0.027 72. BD ( 1) C 29- H 30 89. BD*( 1) C 5- C 10 2.28 0.84 0.039 73. BD ( 1) C 29- H 31 85. BD*( 1) C 4- C 5 2.15 0.83 0.038 73. BD ( 1) C 29- H 31 92. BD*( 1) C 6-Br 28 0.78 0.37 0.015 74. BD ( 1) C 29- H 32 88. BD*( 1) C 5- C 6 2.36 0.84 0.040 74. BD ( 1) C 29- H 32 92. BD*( 1) C 6-Br 28 1.02 0.36 0.017 NATURAL BOND ORBITALS (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) =============================================================================== Molecular unit 1 (C15H24Br) ------ Lewis -------------------------------------- 1. CR ( 1) C 1 1.99999 -10.35805 2. CR ( 1) C 2 1.99999 -10.32619 3. CR ( 1) C 3 1.99999 -10.31463 4. CR ( 1) C 4 1.99999 -10.32327 5. CR ( 1) C 5 1.99999 -10.36867 6. CR ( 1) C 6 1.99999 -10.45086 7. CR ( 1) C 7 1.99999 -10.43641 8. CR ( 1) C 8 1.99999 -10.34883 9. CR ( 1) C 9 1.99999 -10.32601 10. CR ( 1) C 10 1.99999 -10.32706 11. CR ( 1) C 11 1.99999 -10.29926 12. CR ( 1) C 14 1.99999 -10.28514 13. CR ( 1) C 17 1.99999 -10.28295 14. CR ( 1) C 18 1.99999 -10.29646 15. CR ( 1)Br 28 2.00000 -475.14259 16. CR ( 2)Br 28 2.00000 -50.45084 17. CR ( 3)Br 28 1.99979 -28.32399 278(g),271(g),275(g) 18. CR ( 4)Br 28 2.00000 -22.50872 19. CR ( 5)Br 28 1.99998 -40.78103 20. CR ( 6)Br 28 2.00000 -22.51277 21. CR ( 7)Br 28 1.99998 -40.78274 22. CR ( 8)Br 28 2.00000 -22.51875 23. CR ( 9)Br 28 1.99998 -40.78527 24. CR (10)Br 28 2.00000 -2.82923 25. CR (11)Br 28 2.00000 -2.83461 26. CR (12)Br 28 1.99999 -2.83825 27. CR (13)Br 28 2.00000 -2.82924 28. CR (14)Br 28 1.99999 -2.83885 29. CR ( 1) C 29 1.99999 -10.33279 30. LP ( 1)Br 28 1.99614 -0.87310 92(g),95(g),168(v) 31. LP ( 2)Br 28 1.98054 -0.46113 103(r),93(v),94(v),178(v) 32. BD ( 1) C 1- C 2 1.96782 -0.65903 91(v),92(v),84(v),138(v) 77(g),76(g),170(v),78(g) 33. BD ( 1) C 1- C 6 1.98089 -0.73958 93(v),158(v),89(v),128(v) 178(v),88(g),81(v),75(g) 91(g),78(g) 34. BD ( 1) C 1- H 39 1.92841 -0.62355 92(v),80(v),128(v),168(v) 35. BD ( 1) C 1- H 40 1.97936 -0.62890 88(v),79(v),129(v) 36. BD ( 1) C 2- C 3 1.98494 -0.64349 78(v),87(v),148(v),118(v) 81(g),84(g) 37. BD ( 1) C 2- H 37 1.98021 -0.59503 77(v),83(v),118(v) 38. BD ( 1) C 2- H 38 1.97951 -0.59383 76(v),82(v),139(v) 39. BD ( 1) C 3- C 4 1.98495 -0.64131 89(v),81(v),128(v),87(g) 84(g) 40. BD ( 1) C 3- H 35 1.98105 -0.58714 80(v),86(v),148(v) 41. BD ( 1) C 3- H 36 1.97485 -0.58203 85(v),75(v) 42. BD ( 1) C 4- C 5 1.95937 -0.64593 91(v),92(v),99(v),116(v) 84(v),89(g),138(v),88(g) 283(v),209(v),90(g),168(v) 169(v) 43. BD ( 1) C 4- H 33 1.97978 -0.59218 90(v),83(v) 44. BD ( 1) C 4- H 34 1.97884 -0.59261 88(v),79(v),139(v) 45. BD ( 1) C 5- C 6 1.97214 -0.73089 102(v),94(v),117(v),118(v) 178(v),87(v),85(g),89(g) 76(g),91(g),148(v),284(v) 78(v),209(v) 46. BD ( 1) C 5- C 10 1.96492 -0.64399 76(v),82(v),100(v),115(v) 106(v),85(g),219(v),90(g) 149(v),88(g),102(g),199(v) 169(v) 47. BD ( 1) C 5- C 29 1.91224 -0.64325 92(v),86(v),103(v),208(v) 148(v),168(v),88(g),171(v) 89(g),85(g) 48. BD ( 1) C 6- C 7 1.98177 -0.79084 158(v),189(v),118(v),88(g) 85(v),75(v),93(g),97(v) 76(g),94(g),271(v) 49. BD ( 1) C 6-Br 28 1.88614 -0.51518 95(g),77(v),90(v),179(v) 93(v),92(g),273(g),94(v) 50. BD ( 1) C 7- C 8 1.98474 -0.72923 76(v),170(v),91(g),200(v) 100(v),94(g),96(g),97(g) 51. BD ( 1) C 7- H 27 1.98145 -0.68655 88(v),96(v),169(v) 52. BD ( 1) C 7-Br 28 1.92918 -0.60808 92(g),98(v),188(v),95(g) 170(v) 53. BD ( 1) C 8- C 9 1.97996 -0.65045 94(v),110(v),102(v),253(v) 97(g),98(g),180(v),100(g) 54. BD ( 1) C 8- H 25 1.96773 -0.61478 91(v),95(v),101(v),179(v) 100(v) 55. BD ( 1) C 8- H 26 1.95155 -0.61405 95(v),99(v),198(v),91(v) 56. BD ( 1) C 9- C 10 1.97450 -0.63303 85(v),104(v),218(v),114(v) 159(v),252(v),102(g),98(v) 100(g),103(g) 57. BD ( 1) C 9- C 18 1.97587 -0.62335 89(v),93(v),112(v),242(v) 99(g),188(v),210(v),101(g) 96(g) 58. BD ( 1) C 9- H 24 1.97327 -0.58459 103(v),113(v),97(v),188(v) 59. BD ( 1) C 10- C 11 1.97658 -0.62529 96(v),88(v),107(v),230(v) 99(g),160(v),89(g),103(g) 198(v),199(v) 60. BD ( 1) C 10- H 23 1.96911 -0.58695 90(v),105(v),101(v),198(v) 61. BD ( 1) C 11- H 12 1.98140 -0.57333 99(v),109(v),231(v) 62. BD ( 1) C 11- H 13 1.98105 -0.57311 108(v),103(v),117(r) 63. BD ( 1) C 11- C 14 1.98145 -0.61074 89(v),112(v),242(v),210(v) 102(g),104(g),105(g) 64. BD ( 1) C 14- H 15 1.98037 -0.55525 102(v),110(v),220(v) 65. BD ( 1) C 14- H 16 1.98164 -0.55683 105(v),111(v) 66. BD ( 1) C 14- C 17 1.98505 -0.60571 114(v),104(v),218(v),252(v) 107(g),112(g) 67. BD ( 1) C 17- C 18 1.98367 -0.61156 96(v),107(v),230(v),114(g) 100(g) 68. BD ( 1) C 17- H 21 1.98110 -0.55491 113(v),108(v) 69. BD ( 1) C 17- H 22 1.97987 -0.55373 100(v),106(v),254(v) 70. BD ( 1) C 18- H 19 1.98122 -0.56831 101(v),111(v) 71. BD ( 1) C 18- H 20 1.98123 -0.56826 99(v),109(v),243(v) 72. BD ( 1) C 29- H 30 1.99009 -0.61644 89(v) 73. BD ( 1) C 29- H 31 1.99010 -0.61754 85(v),92(r) 74. BD ( 1) C 29- H 32 1.97616 -0.60718 88(v),92(r) ------ non-Lewis ---------------------------------- 75. BD*( 1) C 1- C 2 0.01443 0.22603 76. BD*( 1) C 1- C 6 0.02303 0.23835 77. BD*( 1) C 1- H 39 0.01618 0.27832 78. BD*( 1) C 1- H 40 0.01079 0.30629 79. BD*( 1) C 2- C 3 0.01259 0.25697 80. BD*( 1) C 2- H 37 0.01446 0.32201 81. BD*( 1) C 2- H 38 0.00884 0.34443 82. BD*( 1) C 3- C 4 0.01177 0.25816 83. BD*( 1) C 3- H 35 0.01365 0.33161 84. BD*( 1) C 3- H 36 0.00918 0.34827 85. BD*( 1) C 4- C 5 0.02710 0.21470 86. BD*( 1) C 4- H 33 0.01300 0.32015 87. BD*( 1) C 4- H 34 0.00998 0.33861 88. BD*( 1) C 5- C 6 0.03708 0.23715 89. BD*( 1) C 5- C 10 0.03236 0.21928 90. BD*( 1) C 5- C 29 0.02278 0.17653 91. BD*( 1) C 6- C 7 0.02538 0.24005 92. BD*( 1) C 6-Br 28 0.25861 -0.24835 93. BD*( 1) C 7- C 8 0.01842 0.23689 94. BD*( 1) C 7- H 27 0.01601 0.30658 95. BD*( 1) C 7-Br 28 0.15062 -0.18778 96. BD*( 1) C 8- C 9 0.01870 0.23509 97. BD*( 1) C 8- H 25 0.01207 0.30761 98. BD*( 1) C 8- H 26 0.01029 0.29853 99. BD*( 1) C 9- C 10 0.02607 0.24444 100. BD*( 1) C 9- C 18 0.01734 0.26350 101. BD*( 1) C 9- H 24 0.01971 0.32577 102. BD*( 1) C 10- C 11 0.01939 0.25705 103. BD*( 1) C 10- H 23 0.02418 0.31108 104. BD*( 1) C 11- H 12 0.01032 0.35457 105. BD*( 1) C 11- H 13 0.01557 0.33530 106. BD*( 1) C 11- C 14 0.01210 0.28133 107. BD*( 1) C 14- H 15 0.00930 0.37418 108. BD*( 1) C 14- H 16 0.01434 0.35170 109. BD*( 1) C 14- C 17 0.01342 0.29133 110. BD*( 1) C 17- C 18 0.01236 0.28886 111. BD*( 1) C 17- H 21 0.01415 0.35362 112. BD*( 1) C 17- H 22 0.00940 0.37555 113. BD*( 1) C 18- H 19 0.01522 0.33431 114. BD*( 1) C 18- H 20 0.01022 0.35408 115. BD*( 1) C 29- H 30 0.00601 0.32590 116. BD*( 1) C 29- H 31 0.00494 0.31435 117. BD*( 1) C 29- H 32 0.00706 0.33037 118. RY ( 1) C 1 0.00559 0.84449 119. RY ( 2) C 1 0.00147 0.83777 120. RY ( 3) C 1 0.00089 0.82277 121. RY ( 4) C 1 0.00045 1.47467 122. RY ( 5) C 1 0.00022 1.81211 123. RY ( 6) C 1 0.00014 1.73290 124. RY ( 7) C 1 0.00007 2.02241 125. RY ( 8) C 1 0.00001 2.09824 126. RY ( 9) C 1 0.00002 1.84963 127. RY (10) C 1 0.00001 3.51997 128. RY ( 1) C 2 0.00419 0.97152 129. RY ( 2) C 2 0.00159 0.75577 130. RY ( 3) C 2 0.00083 0.76534 131. RY ( 4) C 2 0.00028 1.75370 132. RY ( 5) C 2 0.00017 1.76356 133. RY ( 6) C 2 0.00010 1.96706 134. RY ( 7) C 2 0.00003 1.84410 135. RY ( 8) C 2 0.00001 2.29067 136. RY ( 9) C 2 0.00001 1.73645 137. RY (10) C 2 0.00000 3.26745 138. RY ( 1) C 3 0.00356 0.98071 139. RY ( 2) C 3 0.00155 0.86338 140. RY ( 3) C 3 0.00090 0.65078 141. RY ( 4) C 3 0.00028 1.79631 142. RY ( 5) C 3 0.00018 1.78078 143. RY ( 6) C 3 0.00009 1.99836 144. RY ( 7) C 3 0.00003 2.16863 145. RY ( 8) C 3 0.00001 2.08335 146. RY ( 9) C 3 0.00001 1.82244 147. RY (10) C 3 0.00000 3.09601 148. RY ( 1) C 4 0.00461 0.98585 149. RY ( 2) C 4 0.00237 0.78620 150. RY ( 3) C 4 0.00103 0.95759 151. RY ( 4) C 4 0.00061 1.52407 152. RY ( 5) C 4 0.00020 1.83658 153. RY ( 6) C 4 0.00007 1.83867 154. RY ( 7) C 4 0.00003 1.95435 155. RY ( 8) C 4 0.00001 1.93902 156. RY ( 9) C 4 0.00001 2.60870 157. RY (10) C 4 0.00000 3.09702 158. RY ( 1) C 5 0.00468 1.03774 159. RY ( 2) C 5 0.00274 0.94002 160. RY ( 3) C 5 0.00225 0.96767 161. RY ( 4) C 5 0.00057 1.88667 162. RY ( 5) C 5 0.00041 1.87463 163. RY ( 6) C 5 0.00038 2.05989 164. RY ( 7) C 5 0.00028 2.10124 165. RY ( 8) C 5 0.00021 1.96660 166. RY ( 9) C 5 0.00008 2.05131 167. RY (10) C 5 0.00002 3.89328 168. RY ( 1) C 6 0.00986 0.73885 169. RY ( 2) C 6 0.00406 0.98359 170. RY ( 3) C 6 0.00339 1.01767 171. RY ( 4) C 6 0.00129 1.35112 172. RY ( 5) C 6 0.00065 1.64298 173. RY ( 6) C 6 0.00049 1.99251 174. RY ( 7) C 6 0.00043 1.75901 175. RY ( 8) C 6 0.00032 2.03185 176. RY ( 9) C 6 0.00004 2.12932 177. RY (10) C 6 0.00001 3.81394 178. RY ( 1) C 7 0.00513 0.82386 179. RY ( 2) C 7 0.00371 0.71684 180. RY ( 3) C 7 0.00223 0.88886 181. RY ( 4) C 7 0.00073 1.34766 182. RY ( 5) C 7 0.00070 1.57018 183. RY ( 6) C 7 0.00034 1.94708 184. RY ( 7) C 7 0.00022 1.64331 185. RY ( 8) C 7 0.00007 2.20665 186. RY ( 9) C 7 0.00002 1.80067 187. RY (10) C 7 0.00001 3.60245 188. RY ( 1) C 8 0.00486 0.80907 189. RY ( 2) C 8 0.00290 0.65795 190. RY ( 3) C 8 0.00175 0.76933 191. RY ( 4) C 8 0.00037 1.52307 192. RY ( 5) C 8 0.00020 1.66726 193. RY ( 6) C 8 0.00011 2.02593 194. RY ( 7) C 8 0.00005 2.44268 195. RY ( 8) C 8 0.00003 2.04332 196. RY ( 9) C 8 0.00001 1.83155 197. RY (10) C 8 0.00001 3.34014 198. RY ( 1) C 9 0.00443 1.07678 199. RY ( 2) C 9 0.00309 0.91538 200. RY ( 3) C 9 0.00193 0.92955 201. RY ( 4) C 9 0.00043 1.70489 202. RY ( 5) C 9 0.00034 1.92953 203. RY ( 6) C 9 0.00030 1.95441 204. RY ( 7) C 9 0.00011 1.93381 205. RY ( 8) C 9 0.00004 2.04591 206. RY ( 9) C 9 0.00003 1.98800 207. RY (10) C 9 0.00001 3.84232 208. RY ( 1) C 10 0.00506 1.08345 209. RY ( 2) C 10 0.00337 0.88598 210. RY ( 3) C 10 0.00260 1.02673 211. RY ( 4) C 10 0.00061 1.76107 212. RY ( 5) C 10 0.00034 1.92320 213. RY ( 6) C 10 0.00029 1.87498 214. RY ( 7) C 10 0.00010 2.03807 215. RY ( 8) C 10 0.00006 2.12005 216. RY ( 9) C 10 0.00003 1.95474 217. RY (10) C 10 0.00001 3.84898 218. RY ( 1) C 11 0.00408 1.04552 219. RY ( 2) C 11 0.00207 0.79145 220. RY ( 3) C 11 0.00092 0.93680 221. RY ( 4) C 11 0.00038 1.68825 222. RY ( 5) C 11 0.00021 1.81478 223. RY ( 6) C 11 0.00010 1.77587 224. RY ( 7) C 11 0.00003 1.99614 225. RY ( 8) C 11 0.00001 2.04850 226. RY ( 9) C 11 0.00001 2.68826 227. RY (10) C 11 0.00000 2.90339 228. RY ( 1) H 12 0.00106 0.61702 229. RY ( 1) H 13 0.00157 0.63055 230. RY ( 1) C 14 0.00389 1.03290 231. RY ( 2) C 14 0.00144 0.91017 232. RY ( 3) C 14 0.00078 0.71592 233. RY ( 4) C 14 0.00028 1.81775 234. RY ( 5) C 14 0.00019 1.81194 235. RY ( 6) C 14 0.00009 2.01665 236. RY ( 7) C 14 0.00003 2.03764 237. RY ( 8) C 14 0.00001 1.90968 238. RY ( 9) C 14 0.00000 2.13662 239. RY (10) C 14 0.00000 3.14088 240. RY ( 1) H 15 0.00096 0.56135 241. RY ( 1) H 16 0.00157 0.58571 242. RY ( 1) C 17 0.00391 1.02911 243. RY ( 2) C 17 0.00142 0.90790 244. RY ( 3) C 17 0.00081 0.69843 245. RY ( 4) C 17 0.00026 1.87745 246. RY ( 5) C 17 0.00018 1.80363 247. RY ( 6) C 17 0.00008 2.01920 248. RY ( 7) C 17 0.00003 1.98060 249. RY ( 8) C 17 0.00001 1.94484 250. RY ( 9) C 17 0.00000 2.15530 251. RY (10) C 17 0.00000 3.10567 252. RY ( 1) C 18 0.00415 1.02433 253. RY ( 2) C 18 0.00209 0.81449 254. RY ( 3) C 18 0.00079 0.92171 255. RY ( 4) C 18 0.00032 1.70836 256. RY ( 5) C 18 0.00021 1.83418 257. RY ( 6) C 18 0.00008 1.81842 258. RY ( 7) C 18 0.00002 2.09304 259. RY ( 8) C 18 0.00001 1.82039 260. RY ( 9) C 18 0.00000 2.34260 261. RY (10) C 18 0.00000 3.19594 262. RY ( 1) H 19 0.00170 0.58770 263. RY ( 1) H 20 0.00114 0.56150 264. RY ( 1) H 21 0.00156 0.58633 265. RY ( 1) H 22 0.00095 0.56345 266. RY ( 1) H 23 0.00235 0.63276 267. RY ( 1) H 24 0.00203 0.60980 268. RY ( 1) H 25 0.00141 0.55349 269. RY ( 1) H 26 0.00107 0.52720 270. RY ( 1) H 27 0.00130 0.43262 271. RY ( 1)Br 28 0.00230 0.45264 272. RY ( 2)Br 28 0.00100 0.43129 273. RY ( 3)Br 28 0.00074 0.47200 274. RY ( 4)Br 28 0.00031 0.52677 275. RY ( 5)Br 28 0.00021 1.93445 276. RY ( 6)Br 28 0.00017 0.76228 277. RY ( 7)Br 28 0.00010 0.50368 278. RY ( 8)Br 28 0.00004 7.37083 279. RY ( 9)Br 28 0.00003 0.80824 280. RY (10)Br 28 0.00001 0.63384 281. RY (11)Br 28 0.00000 49.53869 282. RY (12)Br 28 0.00000 26.15038 283. RY ( 1) C 29 0.00242 0.76733 284. RY ( 2) C 29 0.00210 0.77680 285. RY ( 3) C 29 0.00103 1.03237 286. RY ( 4) C 29 0.00015 0.92314 287. RY ( 5) C 29 0.00005 1.73066 288. RY ( 6) C 29 0.00003 1.89781 289. RY ( 7) C 29 0.00001 1.95338 290. RY ( 8) C 29 0.00001 1.87865 291. RY ( 9) C 29 0.00001 1.92725 292. RY (10) C 29 0.00000 3.78002 293. RY ( 1) H 30 0.00059 0.61440 294. RY ( 1) H 31 0.00065 0.58113 295. RY ( 1) H 32 0.00056 0.59776 296. RY ( 1) H 33 0.00142 0.57372 297. RY ( 1) H 34 0.00090 0.60050 298. RY ( 1) H 35 0.00126 0.59086 299. RY ( 1) H 36 0.00092 0.53950 300. RY ( 1) H 37 0.00150 0.56009 301. RY ( 1) H 38 0.00085 0.52568 302. RY ( 1) H 39 0.00122 0.56941 303. RY ( 1) H 40 0.00120 0.52417 ------------------------------- Total Lewis 146.77181 ( 99.1701%) Valence non-Lewis 1.04841 ( 0.7084%) Rydberg non-Lewis 0.17978 ( 0.1215%) ------------------------------- Total unit 1 148.00000 (100.0000%) Charge unit 1 1.00000 $CHOOSE LONE 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END $END NATURAL RESONANCE THEORY ANALYSIS: Parent structure threshold: 50% of leading weight Delocalization list threshold: 1 kcal/mol Maximum search cycles: 3 C1 symmetry, 1 symmetry operator(s), 1 unique atom permutation(s) 13 initial TOPO matrices: NLS = 1; NBI = 12; SYM = 0 cycle structures D(w) kmax CHOOSE ION E2 SYM dbmax dbrms ------------------------------------------------------------------------------ 1 12/13 0.06130085 12 17 -1 104 0 1.176 0.993 2 85/231 0.05849540 100 543 -1 206 0 0.112 0.044 3 102/420 0.05831916 84 230 -28 221 0 0.024 0.011 QPNRT(102/420): D(0)=0.06369237; D(w)=0.05831916; dbmax=0.024; dbrms=0.011 Timing(sec): search=46.17; Gram matrix=13.16; minimize=0.81; other=2.35 TOPO matrix for the leading resonance structure: Atom 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 ---- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- 1. C 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2. C 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3. C 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 4. C 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 5. C 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 6. C 2 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 7. C 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 8. C 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 9. C 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 10. C 0 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 11. C 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 12. H 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 13. H 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 14. C 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 15. H 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 16. H 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 17. C 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 18. C 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 19. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 20. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 21. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 22. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 23. H 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 24. H 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 25. H 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 26. H 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 27. H 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 28. Br 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 29. C 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 30. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 31. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 32. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 33. H 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 34. H 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 35. H 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 36. H 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 37. H 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 38. H 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 39. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 40. H 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Atom 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 ---- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- 1. C 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2. C 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3. C 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4. C 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 5. C 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 6. C 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7. C 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 8. C 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 9. C 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 10. C 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 11. C 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 13. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14. C 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 15. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 16. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 17. C 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 18. C 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 19. H 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 20. H 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 21. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 22. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 23. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 24. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 25. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 26. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 27. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 28. Br 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 29. C 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 30. H 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 31. H 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 32. H 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 33. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 34. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 35. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 36. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 37. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 38. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 39. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 40. H 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Atom 35 36 37 38 39 40 ---- --- --- --- --- --- --- 1. C 0 0 0 0 0 1 2. C 0 0 1 1 0 0 3. C 1 1 0 0 0 0 4. C 0 0 0 0 0 0 5. C 0 0 0 0 0 0 6. C 0 0 0 0 0 0 7. C 0 0 0 0 0 0 8. C 0 0 0 0 0 0 9. C 0 0 0 0 0 0 10. C 0 0 0 0 0 0 11. C 0 0 0 0 0 0 12. H 0 0 0 0 0 0 13. H 0 0 0 0 0 0 14. C 0 0 0 0 0 0 15. H 0 0 0 0 0 0 16. H 0 0 0 0 0 0 17. C 0 0 0 0 0 0 18. C 0 0 0 0 0 0 19. H 0 0 0 0 0 0 20. H 0 0 0 0 0 0 21. H 0 0 0 0 0 0 22. H 0 0 0 0 0 0 23. H 0 0 0 0 0 0 24. H 0 0 0 0 0 0 25. H 0 0 0 0 0 0 26. H 0 0 0 0 0 0 27. H 0 0 0 0 0 0 28. Br 0 0 0 0 0 0 29. C 0 0 0 0 0 0 30. H 0 0 0 0 0 0 31. H 0 0 0 0 0 0 32. H 0 0 0 0 0 0 33. H 0 0 0 0 0 0 34. H 0 0 0 0 0 0 35. H 0 0 0 0 0 0 36. H 0 0 0 0 0 0 37. H 0 0 0 0 0 0 38. H 0 0 0 0 0 0 39. H 0 0 0 0 0 0 40. H 0 0 0 0 0 0 Resonance RS Weight(%) Added(Removed) --------------------------------------------------------------------------- 1 7.52 2 5.19 ( C 1- C 6), C 1- H 39, C 6-Br 28, C 7- C 8, ( C 7-Br 28), ( C 8- H 26) 3 2.72 C 1- C 2, ( C 1- C 6), ( C 2- H 37), C 6- C 7, ( C 7-Br 28), H 39 4 2.35 ( C 1- C 6), C 1- H 39, C 6-Br 28, (Br 28) 5 2.10 ( C 1- C 6), C 1- H 39, C 3- C 4, ( C 3- H 36), ( C 4- C 5), C 5- C 6, ( C 5- C 29), H 36 6 1.80 ( C 1- C 6), ( C 1- C 6), C 1- H 39, C 6- C 7, C 6- C 7, ( C 7- C 8), ( C 7-Br 28), C 1 7 1.72 ( C 1- C 6), C 1- H 39, C 2- C 3, ( C 2- H 37), ( C 3- H 35), C 6-Br 28, (Br 28), H 37 8 1.71 ( C 1- C 6), C 1- H 39, C 5- C 6, ( C 5- C 10), ( C 5- C 29), C 9- C 10, ( C 9- C 18), C 18 9 1.64 ( C 1- C 2), C 1- H 39, ( C 6- C 7), C 6-Br 28, C 7, (Br 28) 10 1.63 ( C 1- C 6), C 1- H 39, C 6-Br 28, C 8- C 9, ( C 8- H 25), ( C 9- H 24), H 25, (Br 28) 11 1.61 ( C 1- C 6), C 1- H 39, ( C 4- C 5), C 5- C 6, C 5- C 6, ( C 5- C 29), ( C 6- C 7), C 4 12 1.59 ( C 1- C 6), C 1- H 39, C 6-Br 28, C 10- C 11, ( C 10- H 23), ( C 11- H 13), H 23, (Br 28) 13 1.57 ( C 1- C 6), C 1- H 39, C 5- C 6, ( C 5- C 10), ( C 5- C 29), C 10- C 11, ( C 11- C 14), C 14 14 1.55 ( C 1- C 6), C 1- H 39, C 3- C 4, ( C 3- H 35), ( C 4- H 33), C 6-Br 28, (Br 28), H 33 15 1.55 ( C 1- C 6), C 1- H 39, C 6-Br 28, C 17- C 18, ( C 17- H 21), ( C 18- H 19), H 19, (Br 28) 16 1.52 ( C 1- C 6), C 1- H 39, C 6-Br 28, C 9- C 18, ( C 9- H 24), ( C 18- H 19), H 24, (Br 28) 17 1.50 ( C 1- C 6), C 1- H 39, C 3- C 4, ( C 3- H 35), ( C 4- H 33), C 6-Br 28, (Br 28), H 35 18 1.48 ( C 1- C 6), C 1- H 39, C 6-Br 28, ( C 11- H 13), C 11- C 14, ( C 14- H 16), H 13, (Br 28) 19 1.45 ( C 1- C 6), C 1- H 39, ( C 6- C 7), C 6-Br 28, C 7- C 8, ( C 8- H 25), C 6, (Br 28) 20 1.42 ( C 1- C 6), C 1- H 39, ( C 2- C 3), C 3- C 4, ( C 4- H 34), C 6-Br 28, C 2, (Br 28) 21 1.40 ( C 1- C 6), C 1- H 39, C 6-Br 28, ( C 14- H 16), C 14- C 17, ( C 17- H 21), H 21, (Br 28) 22 1.40 ( C 1- C 6), C 1- H 39, C 6-Br 28, ( C 14- H 16), C 14- C 17, ( C 17- H 21), H 16, (Br 28) 23 1.38 ( C 1- C 6), ( C 1- C 6), C 1- H 39, C 6- C 7, C 6- C 7, ( C 7- C 8), ( C 7-Br 28), C 8 24 1.37 ( C 1- C 6), C 1- H 39, C 6-Br 28, ( C 11- H 12), C 11- C 14, ( C 14- C 17), C 17, (Br 28) 25 1.34 ( C 1- C 6), C 1- H 39, C 6-Br 28, C 9- C 10, ( C 9- H 24), ( C 10- H 23), H 24, (Br 28) 26 1.33 ( C 1- C 6), C 1- H 39, C 4- C 5, ( C 4- H 33), ( C 5- C 29), C 6- C 7, ( C 7-Br 28), C 29 27 1.30 ( C 1- C 2), ( C 1- C 6), C 1- H 39, C 2- C 3, ( C 3- H 36), C 6-Br 28, C 1, (Br 28) 28 1.28 ( C 1- C 6), C 1- H 39, C 6-Br 28, ( C 8- C 9), C 9- C 10, ( C 10- C 11), C 11, (Br 28) 29 1.27 ( C 1- C 6), ( C 1- C 6), C 1- H 39, C 5- C 6, C 5- C 6, ( C 5- C 10), ( C 5- C 29), C 10 30 1.24 ( C 1- C 6), C 1- H 39, C 6-Br 28, C 17- C 18, ( C 17- H 21), ( C 18- H 19), H 21, (Br 28) 31 1.24 C 1- H 39, ( C 1- H 40), ( C 5- C 6), C 6- C 7, ( C 7-Br 28), C 5 32 1.23 ( C 1- C 6), C 1- H 39, C 6-Br 28, ( C 9- C 10), C 9- C 18, ( C 18- H 20), C 10, (Br 28) 33 1.23 ( C 1- C 6), C 1- H 39, C 6-Br 28, ( C 14- C 17), C 17- C 18, ( C 18- H 20), C 14, (Br 28) 34 1.22 ( C 1- C 6), C 1- H 39, C 2- C 3, ( C 2- H 38), ( C 3- C 4), C 6-Br 28, C 4, (Br 28) 35 1.20 ( C 1- C 6), C 1- H 39, C 6-Br 28, ( C 11- H 13), C 11- C 14, ( C 14- H 16), H 16, (Br 28) 36 1.17 ( C 1- C 6), C 1- H 39, C 6-Br 28, C 9- C 10, ( C 9- H 24), ( C 10- H 23), H 23, (Br 28) 37 1.17 ( C 1- C 6), C 1- H 39, C 6-Br 28, ( C 9- C 18), C 17- C 18, ( C 17- H 22), H 22, (Br 28) 38 1.15 ( C 1- C 6), C 1- H 39, C 2- C 3, ( C 2- H 38), ( C 3- C 4), C 6-Br 28, (Br 28), H 38 39 1.11 ( C 1- C 6), C 1- H 39, C 6-Br 28, ( C 8- C 9), C 9- C 18, ( C 17- C 18), C 17, (Br 28) 40 1.11 ( C 1- C 6), C 1- H 39, ( C 3- C 4), C 4- C 5, ( C 5- C 10), C 6-Br 28, C 3, (Br 28) 41 1.09 ( C 1- C 6), C 1- H 39, C 6-Br 28, C 10- C 11, ( C 10- H 23), ( C 11- H 13), H 13, (Br 28) 42 1.09 ( C 1- C 6), C 1- H 39, C 6-Br 28, ( C 8- C 9), C 9- C 18, ( C 17- C 18), C 8, (Br 28) 43 1.05 ( C 1- C 6), C 1- H 39, C 5- C 10, ( C 5- C 29), C 6- C 7, ( C 7-Br 28), ( C 10- H 23), C 29 44 1.04 C 1- C 2, ( C 1- C 6), C 1- H 39, ( C 1- H 40), ( C 2- C 3), C 6-Br 28, C 3, (Br 28) 45 1.02 ( C 1- C 6), C 1- H 39, ( C 5- C 6), C 5- C 29, C 6- C 7, ( C 7-Br 28), ( C 29- H 32), C 6 46 0.99 ( C 1- C 6), C 1- H 39, ( C 4- C 5), C 5- C 29, C 6-Br 28, ( C 29- H 31), C 4, (Br 28) 47 0.98 ( C 1- C 6), C 1- H 39, C 6-Br 28, ( C 14- H 15), C 14- C 17, ( C 17- C 18), C 18, (Br 28) 48 0.97 ( C 1- C 6), C 1- H 39, C 6-Br 28, ( C 10- C 11), C 11- C 14, ( C 14- H 15), H 15, (Br 28) 49 0.96 ( C 1- C 6), C 1- H 39, C 6- C 7, ( C 7-Br 28) 50 0.89 ( C 1- C 6), C 1- H 39, ( C 5- C 6), C 5- C 29, C 6-Br 28, ( C 29- H 32), C 6, (Br 28) 51 0.88 ( C 1- C 6), C 1- H 39, C 6-Br 28, C 9- C 18, ( C 9- H 24), ( C 18- H 19), H 19, (Br 28) 52 0.88 ( C 1- C 6), C 1- H 39, ( C 4- C 5), C 5- C 10, C 6-Br 28, ( C 9- C 10), C 9, (Br 28) 53 0.86 ( C 1- C 6), C 1- H 39, ( C 5- C 6), C 6- C 7, C 6- C 7, ( C 7- H 27), ( C 7-Br 28), C 5 54 0.86 ( C 1- C 6), C 1- H 39, C 6-Br 28, ( C 11- C 14), C 14- C 17, ( C 17- H 22), C 11, (Br 28) 55 0.85 ( C 1- C 6), C 1- H 39, C 6-Br 28, ( C 11- C 14), C 14- C 17, ( C 17- H 22), H 22, (Br 28) 56 0.83 ( C 1- C 6), C 1- H 39, ( C 4- C 5), C 5- C 6, C 5- C 6, ( C 5- C 29), ( C 6- C 7), C 7 57 0.81 ( C 1- C 6), C 1- H 39, C 6-Br 28, ( C 9- C 10), C 10- C 11, ( C 11- H 12), C 9, (Br 28) 58 0.80 ( C 1- C 6), C 1- H 39, ( C 2- C 3), C 3- C 4, ( C 4- H 34), C 6-Br 28, (Br 28), H 34 59 0.77 ( C 1- C 6), C 1- H 39, ( C 5- C 10), C 5- C 29, C 6-Br 28, ( C 29- H 30), C 10, (Br 28) 60 0.77 ( C 1- C 6), C 1- H 39, ( C 5- C 6), C 5- C 10, C 6- C 7, ( C 7-Br 28), ( C 10- C 11), C 6 61 0.75 ( C 1- C 6), C 1- H 39, C 6-Br 28, ( C 9- C 10), C 10- C 11, ( C 11- H 12), H 12, (Br 28) 62 0.72 ( C 1- C 6), C 1- H 39, C 6-Br 28, ( C 8- C 9), C 9- C 10, ( C 10- C 11), C 8, (Br 28) 63 0.70 ( C 1- C 6), C 1- H 39, C 6-Br 28, ( C 14- H 15), C 14- C 17, ( C 17- C 18), H 15, (Br 28) 64 0.68 ( C 1- C 6), C 1- H 39, C 6-Br 28, ( C 9- C 18), C 17- C 18, ( C 17- H 22), C 9, (Br 28) 65 0.66 ( C 1- C 6), C 1- H 39, C 2- C 3, ( C 2- H 37), ( C 3- H 35), C 6-Br 28, (Br 28), H 35 66 0.65 ( C 1- C 6), C 1- H 39, ( C 5- C 6), C 5- C 10, C 6-Br 28, ( C 10- C 11), C 6, (Br 28) 67 0.61 ( C 1- C 6), C 1- H 39, C 6-Br 28, ( C 9- C 10), C 9- C 18, ( C 18- H 20), H 20, (Br 28) 68 0.55 C 1- C 2, ( C 1- C 6), C 1- H 39, ( C 1- H 40), ( C 2- C 3), C 6-Br 28, (Br 28), H 40 69 0.52 ( C 1- C 6), C 1- H 39, C 6-Br 28, ( C 14- C 17), C 17- C 18, ( C 18- H 20), H 20, (Br 28) 70 0.49 C 1- C 2, ( C 1- C 6), ( C 1- C 6), C 1- H 39, ( C 2- H 38), C 6- C 7, ( C 7-Br 28), C 6 71 0.49 ( C 1- C 6), C 1- H 39, ( C 4- C 5), C 5- C 29, C 6-Br 28, ( C 29- H 31), (Br 28), H 31 72 0.47 ( C 1- C 6), C 1- H 39, C 6- C 7, C 7- C 8, ( C 7- H 27), ( C 7-Br 28), ( C 8- C 9), C 9 73 0.47 ( C 1- C 2), ( C 1- C 6), C 1- H 39, C 2- C 3, ( C 3- H 36), C 6-Br 28, (Br 28), H 36 74 0.46 ( C 1- C 6), C 1- H 39, C 6-Br 28, ( C 11- H 12), C 11- C 14, ( C 14- C 17), H 12, (Br 28) 75 0.41 ( C 1- C 6), C 1- H 39, ( C 5- C 6), C 6- C 7, C 6- C 7, ( C 7- H 27), ( C 7-Br 28), H 27 76 0.38 ( C 1- C 6), ( C 1- C 6), C 1- H 39, C 5- C 6, C 5- C 6, ( C 5- C 10), ( C 5- C 29), C 1 77 0.37 ( C 1- C 6), C 1- H 39, ( C 5- C 10), C 6-Br 28, C 10- C 11, ( C 11- C 14), C 5, (Br 28) 78 0.36 ( C 1- C 6), C 1- H 39, C 6-Br 28, ( C 7- C 8), C 8- C 9, ( C 9- C 18), C 7, (Br 28) 79 0.33 ( C 1- C 6), C 1- H 39, C 6- H 32, ( C 29- H 32) 80 0.32 ( C 1- C 6), C 1- H 39, C 2- C 3, ( C 2- H 37), ( C 3- H 35), C 6- C 7, ( C 7-Br 28), H 37 81 0.29 ( C 1- C 6), C 1- H 39, C 4- C 5, ( C 4- H 34), ( C 5- C 6), C 6- C 7, ( C 7-Br 28), C 6 82 0.27 ( C 1- C 6), C 1- H 39, ( C 4- C 5), C 5- C 10, C 6-Br 28, ( C 9- C 10), C 4, (Br 28) 83 0.22 ( C 1- C 6), C 1- H 39, C 6- C 7, ( C 7-Br 28), ( C 8- C 9), C 9- C 10, ( C 10- C 11), C 11 84 0.20 ( C 1- C 6), C 1- H 39, C 6- C 7, ( C 7-Br 28), C 10- C 11, ( C 10- H 23), ( C 11- H 13), H 23 85 0.17 ( C 1- C 6), C 1- H 39, C 4- C 5, ( C 4- H 34), ( C 5- C 6), C 6-Br 28, C 6, (Br 28) 86 0.16 ( C 1- C 6), C 1- H 39, ( C 5- C 10), C 5- C 29, C 6-Br 28, ( C 29- H 30), (Br 28), H 30 87 0.15 ( C 1- C 6), C 1- H 39, C 3- C 4, ( C 3- H 35), ( C 4- H 33), C 6- C 7, ( C 7-Br 28), H 33 88 0.15 ( C 1- C 6), C 1- H 39, C 6- C 7, ( C 7-Br 28), C 17- C 18, ( C 17- H 21), ( C 18- H 19), H 19 89 0.14 ( C 1- C 6), C 1- H 39, ( C 4- C 5), C 5- C 6, C 5- C 10, ( C 5- C 29), ( C 9- C 10), C 9 90 0.13 ( C 1- C 6), C 1- H 39, C 6- C 7, C 7- C 8, ( C 7- H 27), ( C 7-Br 28), ( C 8- C 9), H 27 91 0.13 ( C 1- C 6), C 1- H 39, C 6- C 7, ( C 7-Br 28), C 9- C 18, ( C 9- H 24), ( C 18- H 19), H 24 92 0.11 ( C 1- C 6), C 1- H 39, C 3- C 4, ( C 3- H 35), ( C 4- H 33), C 6- C 7, ( C 7-Br 28), H 35 others 0.34 --------------------------------------------------------------------------- 100.00 * Total * Natural Bond Order: (total/covalent/ionic) Atom 1 2 3 4 5 6 7 8 9 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C t 0.0348 1.0138 0.0000 0.0000 0.0000 1.0508 0.0000 0.0000 0.0000 c --- 0.9387 0.0000 0.0000 0.0000 0.9221 0.0000 0.0000 0.0000 i --- 0.0751 0.0000 0.0000 0.0000 0.1287 0.0000 0.0000 0.0000 2. C t 1.0138 0.0144 1.0301 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.9387 --- 0.9836 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0751 --- 0.0465 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 3. C t 0.0000 1.0301 0.0214 1.0411 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.9836 --- 0.9873 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0465 --- 0.0538 0.0000 0.0000 0.0000 0.0000 0.0000 4. C t 0.0000 0.0000 1.0411 0.0409 0.9565 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.9873 --- 0.8791 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0538 --- 0.0774 0.0000 0.0000 0.0000 0.0000 5. C t 0.0000 0.0000 0.0000 0.9565 0.0254 1.0740 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.8791 --- 0.9531 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0774 --- 0.1210 0.0000 0.0000 0.0000 6. C t 1.0508 0.0000 0.0000 0.0000 1.0740 0.0573 1.1530 0.0000 0.0000 c 0.9221 0.0000 0.0000 0.0000 0.9531 --- 1.0842 0.0000 0.0000 i 0.1287 0.0000 0.0000 0.0000 0.1210 --- 0.0688 0.0000 0.0000 7. C t 0.0000 0.0000 0.0000 0.0000 0.0000 1.1530 0.0285 1.0370 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 1.0842 --- 0.9175 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0688 --- 0.1195 0.0000 8. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0370 0.0322 0.9689 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9175 --- 0.9342 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.1195 --- 0.0347 9. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9689 0.0299 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9342 --- i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0347 --- 10. C t 0.0000 0.0000 0.0000 0.0000 0.9630 0.0000 0.0000 0.0000 1.0184 c 0.0000 0.0000 0.0000 0.0000 0.8962 0.0000 0.0000 0.0000 0.9959 i 0.0000 0.0000 0.0000 0.0000 0.0668 0.0000 0.0000 0.0000 0.0225 11. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 12. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 13. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 15. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 16. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 17. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 18. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0264 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9597 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0667 19. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 20. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 21. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 22. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 23. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 24. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9332 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.6940 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2393 25. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9692 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.6937 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2755 0.0000 26. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9481 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.6831 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2650 0.0000 27. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9813 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.6741 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.3071 0.0000 0.0000 28. Br t 0.0000 0.0000 0.0000 0.0000 0.0000 0.6615 0.7842 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.2957 0.6140 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.3658 0.1701 0.0000 0.0000 29. C t 0.0000 0.0000 0.0000 0.0000 0.9232 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.8357 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0875 0.0000 0.0000 0.0000 0.0000 30. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 31. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 32. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0033 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0012 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0021 0.0000 0.0000 0.0000 33. H t 0.0000 0.0000 0.0000 0.9536 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.7120 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.2416 0.0000 0.0000 0.0000 0.0000 0.0000 34. H t 0.0000 0.0000 0.0000 0.9731 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.7129 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.2602 0.0000 0.0000 0.0000 0.0000 0.0000 35. H t 0.0000 0.0000 0.9399 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.7099 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.2300 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 36. H t 0.0000 0.0000 0.9614 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.6992 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.2622 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 37. H t 0.0000 0.9458 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.7076 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.2382 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 38. H t 0.0000 0.9714 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.7069 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.2644 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 39. H t 0.8976 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.6436 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.2540 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 40. H t 0.9718 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.7008 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.2710 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Atom 10 11 12 13 14 15 16 17 18 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 2. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 3. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 4. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 5. C t 0.9630 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.8962 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0668 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 7. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 8. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 9. C t 1.0184 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0264 c 0.9959 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9597 i 0.0225 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0667 10. C t 0.0333 1.0176 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c --- 0.9514 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i --- 0.0662 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 11. C t 1.0176 0.0236 0.9661 0.9435 1.0192 0.0000 0.0000 0.0000 0.0000 c 0.9514 --- 0.7235 0.7201 0.9687 0.0000 0.0000 0.0000 0.0000 i 0.0662 --- 0.2426 0.2234 0.0505 0.0000 0.0000 0.0000 0.0000 12. H t 0.0000 0.9661 0.0121 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.7235 --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.2426 --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 13. H t 0.0000 0.9435 0.0000 0.0266 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.7201 0.0000 --- 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.2234 0.0000 --- 0.0000 0.0000 0.0000 0.0000 0.0000 14. C t 0.0000 1.0192 0.0000 0.0000 0.0280 0.9734 0.9443 1.0262 0.0000 c 0.0000 0.9687 0.0000 0.0000 --- 0.7202 0.7191 0.9965 0.0000 i 0.0000 0.0505 0.0000 0.0000 --- 0.2532 0.2253 0.0296 0.0000 15. H t 0.0000 0.0000 0.0000 0.0000 0.9734 0.0168 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.7202 --- 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.2532 --- 0.0000 0.0000 0.0000 16. H t 0.0000 0.0000 0.0000 0.0000 0.9443 0.0000 0.0260 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.7191 0.0000 --- 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.2253 0.0000 --- 0.0000 0.0000 17. C t 0.0000 0.0000 0.0000 0.0000 1.0262 0.0000 0.0000 0.0253 1.0258 c 0.0000 0.0000 0.0000 0.0000 0.9965 0.0000 0.0000 --- 0.9752 i 0.0000 0.0000 0.0000 0.0000 0.0296 0.0000 0.0000 --- 0.0507 18. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0258 0.0269 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9752 --- i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0507 --- 19. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9453 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.7207 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2246 20. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9641 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.7187 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2454 21. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9426 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.7167 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2259 0.0000 22. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9644 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.7131 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2513 0.0000 23. H t 0.9354 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.6930 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.2425 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 24. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 25. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 26. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 27. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 28. Br t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 29. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 30. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 31. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 32. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 33. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 34. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 35. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 36. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 37. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 38. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 39. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 40. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Atom 19 20 21 22 23 24 25 26 27 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 2. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 3. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 4. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 5. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 7. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9813 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.6741 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.3071 8. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9692 0.9481 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.6937 0.6831 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2755 0.2650 0.0000 9. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.9332 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.6940 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.2393 0.0000 0.0000 0.0000 10. C t 0.0000 0.0000 0.0000 0.0000 0.9354 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.6930 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.2425 0.0000 0.0000 0.0000 0.0000 11. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 12. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 13. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 15. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 16. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 17. C t 0.0000 0.0000 0.9426 0.9644 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.7167 0.7131 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.2259 0.2513 0.0000 0.0000 0.0000 0.0000 0.0000 18. C t 0.9453 0.9641 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.7207 0.7187 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.2246 0.2454 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 19. H t 0.0258 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 20. H t 0.0000 0.0113 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 21. H t 0.0000 0.0000 0.0265 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 22. H t 0.0000 0.0000 0.0000 0.0202 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 --- 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 --- 0.0000 0.0000 0.0000 0.0000 0.0000 23. H t 0.0000 0.0000 0.0000 0.0000 0.0297 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 --- 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 --- 0.0000 0.0000 0.0000 0.0000 24. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0299 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 --- 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 --- 0.0000 0.0000 0.0000 25. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0163 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 --- 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 --- 0.0000 0.0000 26. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 --- 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 --- 0.0000 27. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0054 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 --- i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 --- 28. Br t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 29. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 30. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 31. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 32. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 33. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 34. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 35. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 36. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 37. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 38. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 39. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 40. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Atom 28 29 30 31 32 33 34 35 36 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 2. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 3. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9399 0.9614 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.7099 0.6992 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2300 0.2622 4. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.9536 0.9731 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.7120 0.7129 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.2416 0.2602 0.0000 0.0000 5. C t 0.0000 0.9232 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.8357 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0875 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6. C t 0.6615 0.0000 0.0000 0.0000 0.0033 0.0000 0.0000 0.0000 0.0000 c 0.2957 0.0000 0.0000 0.0000 0.0012 0.0000 0.0000 0.0000 0.0000 i 0.3658 0.0000 0.0000 0.0000 0.0021 0.0000 0.0000 0.0000 0.0000 7. C t 0.7842 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.6140 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.1701 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 8. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 9. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 10. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 11. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 12. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 13. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 15. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 16. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 17. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 18. C t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 19. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 20. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 21. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 22. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 23. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 24. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 25. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 26. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 27. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 28. Br t 2.3904 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 29. C t 0.0000 0.0239 0.9907 0.9852 0.9776 0.0000 0.0000 0.0000 0.0000 c 0.0000 --- 0.7405 0.7409 0.7128 0.0000 0.0000 0.0000 0.0000 i 0.0000 --- 0.2502 0.2443 0.2648 0.0000 0.0000 0.0000 0.0000 30. H t 0.0000 0.9907 0.0016 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.7405 --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.2502 --- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 31. H t 0.0000 0.9852 0.0000 0.0049 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.7409 0.0000 --- 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.2443 0.0000 --- 0.0000 0.0000 0.0000 0.0000 0.0000 32. H t 0.0000 0.9776 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.7128 0.0000 0.0000 --- 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.2648 0.0000 0.0000 --- 0.0000 0.0000 0.0000 0.0000 33. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0170 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 --- 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 --- 0.0000 0.0000 0.0000 34. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0080 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 --- 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 --- 0.0000 0.0000 35. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0227 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 --- 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 --- 0.0000 36. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0256 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 --- i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 --- 37. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 38. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 39. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 40. H t 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Atom 37 38 39 40 ---- ------ ------ ------ ------ 1. C t 0.0000 0.0000 0.8976 0.9718 c 0.0000 0.0000 0.6436 0.7008 i 0.0000 0.0000 0.2540 0.2710 2. C t 0.9458 0.9714 0.0000 0.0000 c 0.7076 0.7069 0.0000 0.0000 i 0.2382 0.2644 0.0000 0.0000 3. C t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 4. C t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 5. C t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 6. C t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 7. C t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 8. C t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 9. C t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 10. C t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 11. C t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 12. H t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 13. H t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 14. C t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 15. H t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 16. H t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 17. C t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 18. C t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 19. H t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 20. H t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 21. H t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 22. H t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 23. H t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 24. H t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 25. H t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 26. H t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 27. H t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 28. Br t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 29. C t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 30. H t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 31. H t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 32. H t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 33. H t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 34. H t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 35. H t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 36. H t 0.0000 0.0000 0.0000 0.0000 c 0.0000 0.0000 0.0000 0.0000 i 0.0000 0.0000 0.0000 0.0000 37. H t 0.0204 0.0000 0.0000 0.0000 c --- 0.0000 0.0000 0.0000 i --- 0.0000 0.0000 0.0000 38. H t 0.0000 0.0115 0.0000 0.0000 c 0.0000 --- 0.0000 0.0000 i 0.0000 --- 0.0000 0.0000 39. H t 0.0000 0.0000 0.0272 0.0000 c 0.0000 0.0000 --- 0.0000 i 0.0000 0.0000 --- 0.0000 40. H t 0.0000 0.0000 0.0000 0.0055 c 0.0000 0.0000 0.0000 --- i 0.0000 0.0000 0.0000 --- Natural Atomic Valencies and Electron Counts: Co- Electro- Electron Atom Valency Valency Valency Count ---- ------- ------- ------- ------- 1. C 3.9341 3.2053 0.7288 7.9377 2. C 3.9611 3.3368 0.6243 7.9511 3. C 3.9725 3.3801 0.5925 7.9879 4. C 3.9242 3.2913 0.6329 7.9302 5. C 3.9167 3.5640 0.3528 7.8843 6. C 3.9427 3.2563 0.6864 8.0000 7. C 3.9555 3.2898 0.6657 7.9679 8. C 3.9232 3.2285 0.6947 7.9108 9. C 3.9469 3.5838 0.3631 7.9536 10. C 3.9344 3.5364 0.3980 7.9354 11. C 3.9464 3.3637 0.5827 7.9400 12. H 0.9661 0.7235 0.2426 1.9563 13. H 0.9435 0.7201 0.2234 1.9402 14. C 3.9631 3.4045 0.5586 7.9822 15. H 0.9734 0.7202 0.2532 1.9803 16. H 0.9443 0.7191 0.2253 1.9406 17. C 3.9590 3.4015 0.5575 7.9686 18. C 3.9616 3.3743 0.5874 7.9771 19. H 0.9453 0.7207 0.2246 1.9423 20. H 0.9641 0.7187 0.2454 1.9508 21. H 0.9426 0.7167 0.2259 1.9381 22. H 0.9644 0.7131 0.2513 1.9692 23. H 0.9354 0.6930 0.2425 1.9302 24. H 0.9332 0.6940 0.2393 1.9263 25. H 0.9692 0.6937 0.2755 1.9711 26. H 0.9481 0.6831 0.2650 1.8961 27. H 0.9813 0.6741 0.3071 1.9733 28. Br 1.4457 0.9098 0.5359 7.6722 29. C 3.8767 3.0299 0.8468 7.8011 30. H 0.9907 0.7405 0.2502 1.9845 31. H 0.9852 0.7409 0.2443 1.9802 32. H 0.9809 0.7140 0.2669 1.9618 33. H 0.9536 0.7120 0.2416 1.9411 34. H 0.9731 0.7129 0.2602 1.9620 35. H 0.9399 0.7099 0.2300 1.9252 36. H 0.9614 0.6992 0.2622 1.9740 37. H 0.9458 0.7076 0.2382 1.9324 38. H 0.9714 0.7069 0.2644 1.9657 39. H 0.8976 0.6436 0.2540 1.8497 40. H 0.9718 0.7008 0.2710 1.9545 $NRTSTR STR ! Wgt=7.52%; rhoNL=2.11971; D(0)=0.08366 LONE 28 3 END BOND S 1 2 D 1 6 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=5.19%; rhoNL=2.56387; D(0)=0.09201 LONE 28 3 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 D 7 8 S 7 27 S 8 9 S 8 25 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=2.72%; rhoNL=4.07765; D(0)=0.11602 LONE 28 3 39 1 END BOND D 1 2 S 1 6 S 1 40 S 2 3 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 D 6 7 S 7 8 S 7 27 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=2.35%; rhoNL=1.22819; D(0)=0.06369 LONE 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=2.10%; rhoNL=4.16608; D(0)=0.11727 LONE 28 3 36 1 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 D 3 4 S 3 35 S 4 33 S 4 34 D 5 6 S 5 10 S 6 7 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.80%; rhoNL=4.10171; D(0)=0.11636 LONE 1 1 28 3 END BOND S 1 2 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 T 6 7 S 7 27 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.72%; rhoNL=3.09536; D(0)=0.10109 LONE 28 2 37 1 END BOND S 1 2 S 1 6 S 1 39 S 1 40 D 2 3 S 2 38 S 3 4 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.71%; rhoNL=4.16326; D(0)=0.11723 LONE 18 1 28 3 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 D 5 6 S 6 7 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 D 9 10 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.64%; rhoNL=3.08551; D(0)=0.10093 LONE 7 1 28 2 END BOND D 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.63%; rhoNL=3.13015; D(0)=0.10166 LONE 25 1 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 D 8 9 S 8 26 S 9 10 S 9 18 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.61%; rhoNL=4.18536; D(0)=0.11754 LONE 4 1 28 3 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 33 S 4 34 T 5 6 S 5 10 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.59%; rhoNL=3.09228; D(0)=0.10104 LONE 23 1 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 D 10 11 S 11 12 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.57%; rhoNL=4.16199; D(0)=0.11721 LONE 14 1 28 3 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 D 5 6 S 6 7 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 D 10 11 S 10 23 S 11 12 S 11 13 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.55%; rhoNL=3.09958; D(0)=0.10116 LONE 28 2 33 1 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 D 3 4 S 3 36 S 4 5 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.55%; rhoNL=3.08794; D(0)=0.10097 LONE 19 1 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 D 17 18 S 17 22 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.52%; rhoNL=3.09338; D(0)=0.10106 LONE 24 1 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 D 9 18 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.50%; rhoNL=3.09024; D(0)=0.10101 LONE 28 2 35 1 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 D 3 4 S 3 36 S 4 5 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.48%; rhoNL=3.08973; D(0)=0.10100 LONE 13 1 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 D 11 14 S 14 15 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.45%; rhoNL=2.87476; D(0)=0.09742 LONE 6 1 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 28 D 7 8 S 7 27 S 7 28 S 8 9 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.42%; rhoNL=2.89934; D(0)=0.09784 LONE 2 1 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 37 S 2 38 D 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.40%; rhoNL=3.09052; D(0)=0.10101 LONE 21 1 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 D 14 17 S 17 18 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.40%; rhoNL=3.08908; D(0)=0.10099 LONE 16 1 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 D 14 17 S 17 18 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.38%; rhoNL=4.10609; D(0)=0.11642 LONE 8 1 28 3 END BOND S 1 2 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 T 6 7 S 7 27 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.37%; rhoNL=2.92686; D(0)=0.09830 LONE 17 1 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 13 D 11 14 S 14 15 S 14 16 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.34%; rhoNL=3.07634; D(0)=0.10078 LONE 24 1 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 D 9 10 S 9 18 S 10 11 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.33%; rhoNL=3.91727; D(0)=0.11372 LONE 28 3 29 1 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 D 4 5 S 4 34 S 5 6 S 5 10 D 6 7 S 7 8 S 7 27 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.30%; rhoNL=2.83673; D(0)=0.09678 LONE 1 1 28 2 END BOND S 1 6 S 1 39 S 1 40 D 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.28%; rhoNL=3.13776; D(0)=0.10178 LONE 11 1 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 25 S 8 26 D 9 10 S 9 18 S 9 24 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.27%; rhoNL=4.18216; D(0)=0.11750 LONE 10 1 28 3 END BOND S 1 2 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 T 5 6 S 6 7 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.24%; rhoNL=3.09067; D(0)=0.10101 LONE 21 1 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 D 17 18 S 17 22 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.24%; rhoNL=3.91631; D(0)=0.11370 LONE 5 1 28 3 END BOND S 1 2 D 1 6 S 1 39 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 10 S 5 29 D 6 7 S 7 8 S 7 27 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.23%; rhoNL=2.90597; D(0)=0.09795 LONE 10 1 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 D 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.23%; rhoNL=2.91956; D(0)=0.09818 LONE 14 1 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 D 17 18 S 17 21 S 17 22 S 18 19 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.22%; rhoNL=2.89068; D(0)=0.09769 LONE 4 1 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 D 2 3 S 2 37 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.20%; rhoNL=3.09200; D(0)=0.10103 LONE 16 1 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 D 11 14 S 14 15 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.17%; rhoNL=3.07778; D(0)=0.10080 LONE 23 1 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 D 9 10 S 9 18 S 10 11 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.17%; rhoNL=3.16516; D(0)=0.10222 LONE 22 1 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 D 17 18 S 17 21 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.15%; rhoNL=3.17622; D(0)=0.10240 LONE 28 2 38 1 END BOND S 1 2 S 1 6 S 1 39 S 1 40 D 2 3 S 2 37 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.11%; rhoNL=3.13657; D(0)=0.10176 LONE 17 1 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 25 S 8 26 S 9 10 D 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.11%; rhoNL=3.09336; D(0)=0.10106 LONE 3 1 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 35 S 3 36 D 4 5 S 4 33 S 4 34 S 5 6 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.09%; rhoNL=3.07129; D(0)=0.10070 LONE 13 1 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 D 10 11 S 11 12 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.09%; rhoNL=3.08554; D(0)=0.10093 LONE 8 1 28 2 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 25 S 8 26 S 9 10 D 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.05%; rhoNL=3.90322; D(0)=0.11351 LONE 28 3 29 1 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 D 5 10 D 6 7 S 7 8 S 7 27 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.04%; rhoNL=2.91400; D(0)=0.09808 LONE 3 1 28 2 END BOND D 1 2 S 1 6 S 1 39 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 6 S 5 10 S 5 29 S 6 7 S 6 28 S 7 8 S 7 27 S 7 28 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 S 29 32 END END STR ! Wgt=1.02%; rhoNL=3.84222; D(0)=0.11262 LONE 6 1 28 3 END BOND S 1 2 S 1 6 S 1 39 S 1 40 S 2 3 S 2 37 S 2 38 S 3 4 S 3 35 S 3 36 S 4 5 S 4 33 S 4 34 S 5 10 D 5 29 D 6 7 S 7 8 S 7 27 S 8 9 S 8 25 S 8 26 S 9 10 S 9 18 S 9 24 S 10 11 S 10 23 S 11 12 S 11 13 S 11 14 S 14 15 S 14 16 S 14 17 S 17 18 S 17 21 S 17 22 S 18 19 S 18 20 S 29 30 S 29 31 END END $END NBO analysis completed in 65.47 CPU seconds (66 wall seconds) Maximum scratch memory used by NBO was 62417074 words (476.20 MB) Maximum scratch memory used by G16NBO was 148696 words (1.13 MB) Opening RunExU unformatted file "/scratch/webmo-13362/556300/Gau-12795.EUF" Read unf file /scratch/webmo-13362/556300/Gau-12795.EUF: Label Gaussian matrix elements IVers= 2 NLab= 2 Version=ES64L-G16RevC.01 Title C15H24Br(+1) cholesterol bromonium from below NAtoms= 40 NBasis= 303 NBsUse= 303 ICharg= 1 Multip= 1 NE= 148 Len12L=8 Len4L=8 IOpCl= 0 ICGU=111 GAUSSIAN SCALARS NI= 1 NR= 1 NTot= 1 LenBuf= 2 NRI=1 N= 1000 NPA CHARGES NI= 0 NR= 1 NTot= 40 LenBuf= 4000 NRI=1 N= 40 Recovered energy= -3157.51278497 dipole= -0.981661998753 0.040868994698 1.099646488331 Unable to Open any file for archive entry. 1\1\GINC-COMPUTE-0-2\SP\RB3LYP\6-31G(d)\C15H24Br1(1+)\BESSELMAN\24-Dec -2020\0\\#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connect ivity\\C15H24Br(+1) cholesterol bromonium from below\\1,1\C\C,1,1.5416 81057\C,2,1.531723889,1,111.2835116\C,3,1.536525173,2,112.2963149,1,52 .77418855,0\C,4,1.559606063,3,114.886447,2,-52.57578361,0\C,1,1.498329 761,2,112.6174044,3,-49.23855834,0\C,6,1.470217653,1,119.3223526,2,-14 2.6435728,0\C,7,1.507136205,6,121.8559406,1,-157.6079273,0\C,8,1.55145 4438,7,116.3165065,6,-15.19209648,0\C,5,1.568014857,6,111.62747,1,-168 .4646735,0\C,10,1.544326248,5,114.1543088,6,-178.370308,0\H,11,1.09473 2152,10,110.5082058,5,-53.75201641,0\H,11,1.09832415,10,110.2213984,5, 64.17606712,0\C,11,1.538303294,10,111.2165033,5,-175.2804088,0\H,14,1. 095567748,11,109.3442559,10,-179.1280096,0\H,14,1.099206217,11,109.275 8313,10,64.68869481,0\C,14,1.533127625,11,111.5948186,10,-56.66877376, 0\C,9,1.541988994,10,110.8981496,5,175.0170469,0\H,18,1.100308154,9,10 8.7669305,10,-65.34035044,0\H,18,1.097445103,9,109.3347913,10,178.6833 473,0\H,17,1.099190941,18,109.392016,9,66.67341982,0\H,17,1.095553367, 18,109.8429602,9,-176.7982315,0\H,10,1.098868661,5,105.8105529,6,65.08 127089,0\H,9,1.098096214,10,107.0123085,5,-68.56359137,0\H,8,1.0961461 77,9,111.2904673,10,107.9584793,0\H,8,1.099674761,9,110.3090942,10,-13 6.0044487,0\H,7,1.089431971,6,115.2843556,1,-8.73932933,0\Br,6,2.31661 5883,1,104.3029559,2,-77.65571237,0\C,5,1.574465467,6,103.2427143,1,72 .43227092,0\H,29,1.090793085,5,111.9765605,6,-67.4107135,0\H,29,1.0939 15889,5,113.0342543,6,55.15656872,0\H,29,1.092614016,5,107.6526977,6,1 74.149782,0\H,4,1.09796918,3,109.4194274,2,68.45043852,0\H,4,1.0932325 91,3,109.4980946,2,-174.9051717,0\H,3,1.09701561,2,109.7935461,1,-70.5 0558542,0\H,3,1.095436104,2,109.571999,1,173.668337,0\H,2,1.09704826,1 ,107.9800155,6,71.97929429,0\H,2,1.094037973,1,108.9358064,6,-172.1142 442,0\H,1,1.102514647,2,109.3648008,3,67.48075007,0\H,1,1.094395253,2, 112.0169784,3,-174.8388141,0\\Version=ES64L-G16RevC.01\State=1-A\HF=-3 157.512785\RMSD=3.296e-09\Dipole=-0.689577,-1.2406872,-0.3996647\Quadr upole=0.9727754,-0.1965819,-0.7761936,3.777293,-0.420936,-3.2472025\PG =C01 [X(C15H24Br1)]\\@ The archive entry for this job was punched. THERE'S NOTHING SO GREAT AS THE GREAT OUTDOORS. -- ZIGGY Job cpu time: 0 days 0 hours 27 minutes 39.7 seconds. Elapsed time: 0 days 0 hours 2 minutes 24.2 seconds. File lengths (MBytes): RWF= 55 Int= 0 D2E= 0 Chk= 6 Scr= 1 Normal termination of Gaussian 16 at Thu Dec 24 08:49:30 2020.