Entering Gaussian System, Link 0=/share/apps/gaussian/g16/g16 Initial command: /share/apps/gaussian/g16/l1.exe "/scratch/webmo-1704971/122282/Gau-1321273.inp" -scrdir="/scratch/webmo-1704971/122282/" Entering Link 1 = /share/apps/gaussian/g16/l1.exe PID= 1321274. 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 10-Mar-2024 ****************************************** ---------------------------------------------------------------------- #N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity ---------------------------------------------------------------------- 1/38=1,57=2,172=1/1; 2/12=2,17=6,18=5,40=1/2; 3/5=4,6=6,7=112,11=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=2/1,7; 99/5=1,9=1/99; -------------------------------- C6H5MgBr phenylmagnesium bromide -------------------------------- Symbolic Z-matrix: Charge = 0 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 H 6 B6 1 A5 2 D4 0 Mg 5 B7 6 A6 1 D5 0 Br 8 B8 6 A7 1 D6 0 H 4 B9 5 A8 6 D7 0 H 3 B10 4 A9 5 D8 0 H 2 B11 1 A10 6 D9 0 H 1 B12 2 A11 3 D10 0 Variables: B1 1.39066 B2 1.39066 B3 1.39293 B4 1.40597 B5 1.39293 B6 1.08687 B7 2.07203 B8 2.35245 B9 1.08687 B10 1.08452 B11 1.08397 B12 1.08452 A1 119.56469 A2 119.97657 A3 121.97093 A4 119.97657 A5 117.63497 A6 121.72985 A7 156.95782 A8 120.3941 A9 120.03117 A10 120.21765 A11 119.99226 D1 0. D2 0. D3 0. D4 180. D5 180. D6 180. D7 180. D8 180. D9 180. D10 180. 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 1.390658 3 6 0 1.209593 0.000000 2.076817 4 6 0 2.410289 0.000000 1.370717 5 6 0 2.447392 0.000000 -0.034768 6 6 0 1.206595 0.000000 -0.695970 7 1 0 1.162189 0.000000 -1.781934 8 12 0 4.237873 0.000000 -1.077592 9 35 0 6.270675 0.000000 -2.261549 10 1 0 3.332949 0.000000 1.945163 11 1 0 1.217686 0.000000 3.161310 12 1 0 -0.936676 0.000000 1.936203 13 1 0 -0.939298 0.000000 -0.542135 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.390658 0.000000 3 C 2.403390 1.390658 0.000000 4 C 2.772789 2.410371 1.392927 0.000000 5 C 2.447639 2.832237 2.447639 1.405975 0.000000 6 C 1.392927 2.410371 2.772789 2.391668 1.405975 7 H 2.127433 3.378761 3.859042 3.390717 2.168948 8 Mg 4.372731 4.904266 4.372731 3.055206 2.072029 9 Br 6.666031 7.256720 6.666031 5.300561 4.424483 10 H 3.859042 3.378761 2.127433 1.086871 2.168948 11 H 3.387719 2.148946 1.084523 2.151400 3.424484 12 H 2.150871 1.083966 2.150871 3.394400 3.916203 13 H 1.084523 2.148946 3.387719 3.857296 3.424484 6 7 8 9 10 6 C 0.000000 7 H 1.086871 0.000000 8 Mg 3.055206 3.155303 0.000000 9 Br 5.300561 5.130952 2.352454 0.000000 10 H 3.390717 4.313172 3.155303 5.130952 0.000000 11 H 3.857296 4.943555 5.204788 7.412159 2.439948 12 H 3.394400 4.269634 5.988232 8.340686 4.269634 13 H 2.151400 2.439948 5.204788 7.412159 4.943555 11 12 13 11 H 0.000000 12 H 2.478339 0.000000 13 H 4.285800 2.478339 0.000000 Stoichiometry C6H5BrMg Framework group C2V[C2(HCCMgBr),SGV(C4H4)] Deg. of freedom 12 Full point group C2V NOp 4 Largest Abelian subgroup C2V NOp 4 Largest concise Abelian subgroup C2 NOp 2 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.000000 -1.201695 -3.479448 2 6 0 0.000000 0.000000 -4.179347 3 6 0 0.000000 1.201695 -3.479448 4 6 0 0.000000 1.195834 -2.086533 5 6 0 0.000000 0.000000 -1.347110 6 6 0 -0.000000 -1.195834 -2.086533 7 1 0 0.000000 -2.156586 -1.578355 8 12 0 -0.000000 0.000000 0.724919 9 35 0 -0.000000 0.000000 3.077373 10 1 0 0.000000 2.156586 -1.578355 11 1 0 0.000000 2.142900 -4.018265 12 1 0 0.000000 0.000000 -5.263313 13 1 0 -0.000000 -2.142900 -4.018265 --------------------------------------------------------------------- Rotational constants (GHZ): 5.7686021 0.3506542 0.3305605 Standard basis: 6-311+G(2d,p) (5D, 7F) AO basis set in the form of general basis input (Overlap normalization): 1 0 S 6 1.00 0.000000000000 0.4563240000D+04 0.1966650249D-02 0.6820240000D+03 0.1523060193D-01 0.1549730000D+03 0.7612690966D-01 0.4445530000D+02 0.2608010331D+00 0.1302900000D+02 0.6164620782D+00 0.1827730000D+01 0.2210060280D+00 SP 3 1.00 0.000000000000 0.2096420000D+02 0.1146600807D+00 0.4024869267D-01 0.4803310000D+01 0.9199996477D+00 0.2375939567D+00 0.1459330000D+01 -0.3030682134D-02 0.8158538515D+00 SP 1 1.00 0.000000000000 0.4834560000D+00 0.1000000000D+01 0.1000000000D+01 SP 1 1.00 0.000000000000 0.1455850000D+00 0.1000000000D+01 0.1000000000D+01 SP 1 1.00 0.000000000000 0.4380000000D-01 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.1252000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.3130000000D+00 0.1000000000D+01 **** 2 0 S 6 1.00 0.000000000000 0.4563240000D+04 0.1966650249D-02 0.6820240000D+03 0.1523060193D-01 0.1549730000D+03 0.7612690966D-01 0.4445530000D+02 0.2608010331D+00 0.1302900000D+02 0.6164620782D+00 0.1827730000D+01 0.2210060280D+00 SP 3 1.00 0.000000000000 0.2096420000D+02 0.1146600807D+00 0.4024869267D-01 0.4803310000D+01 0.9199996477D+00 0.2375939567D+00 0.1459330000D+01 -0.3030682134D-02 0.8158538515D+00 SP 1 1.00 0.000000000000 0.4834560000D+00 0.1000000000D+01 0.1000000000D+01 SP 1 1.00 0.000000000000 0.1455850000D+00 0.1000000000D+01 0.1000000000D+01 SP 1 1.00 0.000000000000 0.4380000000D-01 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.1252000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.3130000000D+00 0.1000000000D+01 **** 3 0 S 6 1.00 0.000000000000 0.4563240000D+04 0.1966650249D-02 0.6820240000D+03 0.1523060193D-01 0.1549730000D+03 0.7612690966D-01 0.4445530000D+02 0.2608010331D+00 0.1302900000D+02 0.6164620782D+00 0.1827730000D+01 0.2210060280D+00 SP 3 1.00 0.000000000000 0.2096420000D+02 0.1146600807D+00 0.4024869267D-01 0.4803310000D+01 0.9199996477D+00 0.2375939567D+00 0.1459330000D+01 -0.3030682134D-02 0.8158538515D+00 SP 1 1.00 0.000000000000 0.4834560000D+00 0.1000000000D+01 0.1000000000D+01 SP 1 1.00 0.000000000000 0.1455850000D+00 0.1000000000D+01 0.1000000000D+01 SP 1 1.00 0.000000000000 0.4380000000D-01 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.1252000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.3130000000D+00 0.1000000000D+01 **** 4 0 S 6 1.00 0.000000000000 0.4563240000D+04 0.1966650249D-02 0.6820240000D+03 0.1523060193D-01 0.1549730000D+03 0.7612690966D-01 0.4445530000D+02 0.2608010331D+00 0.1302900000D+02 0.6164620782D+00 0.1827730000D+01 0.2210060280D+00 SP 3 1.00 0.000000000000 0.2096420000D+02 0.1146600807D+00 0.4024869267D-01 0.4803310000D+01 0.9199996477D+00 0.2375939567D+00 0.1459330000D+01 -0.3030682134D-02 0.8158538515D+00 SP 1 1.00 0.000000000000 0.4834560000D+00 0.1000000000D+01 0.1000000000D+01 SP 1 1.00 0.000000000000 0.1455850000D+00 0.1000000000D+01 0.1000000000D+01 SP 1 1.00 0.000000000000 0.4380000000D-01 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.1252000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.3130000000D+00 0.1000000000D+01 **** 5 0 S 6 1.00 0.000000000000 0.4563240000D+04 0.1966650249D-02 0.6820240000D+03 0.1523060193D-01 0.1549730000D+03 0.7612690966D-01 0.4445530000D+02 0.2608010331D+00 0.1302900000D+02 0.6164620782D+00 0.1827730000D+01 0.2210060280D+00 SP 3 1.00 0.000000000000 0.2096420000D+02 0.1146600807D+00 0.4024869267D-01 0.4803310000D+01 0.9199996477D+00 0.2375939567D+00 0.1459330000D+01 -0.3030682134D-02 0.8158538515D+00 SP 1 1.00 0.000000000000 0.4834560000D+00 0.1000000000D+01 0.1000000000D+01 SP 1 1.00 0.000000000000 0.1455850000D+00 0.1000000000D+01 0.1000000000D+01 SP 1 1.00 0.000000000000 0.4380000000D-01 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.1252000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.3130000000D+00 0.1000000000D+01 **** 6 0 S 6 1.00 0.000000000000 0.4563240000D+04 0.1966650249D-02 0.6820240000D+03 0.1523060193D-01 0.1549730000D+03 0.7612690966D-01 0.4445530000D+02 0.2608010331D+00 0.1302900000D+02 0.6164620782D+00 0.1827730000D+01 0.2210060280D+00 SP 3 1.00 0.000000000000 0.2096420000D+02 0.1146600807D+00 0.4024869267D-01 0.4803310000D+01 0.9199996477D+00 0.2375939567D+00 0.1459330000D+01 -0.3030682134D-02 0.8158538515D+00 SP 1 1.00 0.000000000000 0.4834560000D+00 0.1000000000D+01 0.1000000000D+01 SP 1 1.00 0.000000000000 0.1455850000D+00 0.1000000000D+01 0.1000000000D+01 SP 1 1.00 0.000000000000 0.4380000000D-01 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.1252000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.3130000000D+00 0.1000000000D+01 **** 7 0 S 3 1.00 0.000000000000 0.3386500000D+02 0.2549381454D-01 0.5094790000D+01 0.1903731086D+00 0.1158790000D+01 0.8521614860D+00 S 1 1.00 0.000000000000 0.3258400000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.1027410000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.7500000000D+00 0.1000000000D+01 **** 8 0 S 6 1.00 0.000000000000 0.4386650000D+05 0.9179994236D-03 0.6605370000D+04 0.7046995575D-02 0.1513260000D+04 0.3594097743D-01 0.4323170000D+03 0.1414609112D+00 0.1421490000D+03 0.4267637320D+00 0.5139830000D+02 0.4979746873D+00 S 3 1.00 0.000000000000 0.5139830000D+02 0.2513549844D+00 0.1991960000D+02 0.6186709616D+00 0.8024740000D+01 0.1884169883D+00 S 1 1.00 0.000000000000 0.2508170000D+01 0.1000000000D+01 S 1 1.00 0.000000000000 0.8715310000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.1081880000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.4013000000D-01 0.1000000000D+01 SP 1 1.00 0.000000000000 0.1460000000D-01 0.1000000000D+01 0.1000000000D+01 P 4 1.00 0.000000000000 0.1938540000D+03 0.1018799728D-01 0.4544200000D+02 0.7535997987D-01 0.1418640000D+02 0.3074189179D+00 0.5057510000D+01 0.7175748083D+00 P 2 1.00 0.000000000000 0.1888610000D+01 0.6673390244D+00 0.7226520000D+00 0.3946490144D+00 P 1 1.00 0.000000000000 0.2364170000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.9335800000D-01 0.1000000000D+01 P 1 1.00 0.000000000000 0.3480900000D-01 0.1000000000D+01 D 1 1.00 0.000000000000 0.3500000000D+00 0.1000000000D+01 D 1 1.00 0.000000000000 0.8750000000D-01 0.1000000000D+01 **** 9 0 S 6 1.00 0.000000000000 0.4397000000D+06 0.8129831575D-03 0.6603000000D+05 0.6284869797D-02 0.1514000000D+05 0.3191933873D-01 0.4317000000D+04 0.1287973317D+00 0.1414000000D+04 0.3945918253D+00 0.5239000000D+03 0.5412887862D+00 S 3 1.00 0.000000000000 0.5239000000D+03 0.1831076475D+00 0.2077000000D+03 0.6176257953D+00 0.8654000000D+02 0.2538106004D+00 S 1 1.00 0.000000000000 0.3052000000D+02 0.1000000000D+01 S 1 1.00 0.000000000000 0.1298000000D+02 0.1000000000D+01 S 1 1.00 0.000000000000 0.4412000000D+01 0.1000000000D+01 S 1 1.00 0.000000000000 0.1862000000D+01 0.1000000000D+01 S 1 1.00 0.000000000000 0.3932000000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.1400000000D+00 0.1000000000D+01 SP 1 1.00 0.000000000000 0.3500000000D-01 0.1000000000D+01 0.1000000000D+01 P 3 1.00 0.000000000000 0.2957000000D+04 0.2225989272D-01 0.7003000000D+03 0.1801991316D+00 0.2246000000D+03 0.8623958439D+00 P 3 1.00 0.000000000000 0.8259000000D+02 0.3439873898D+00 0.3319000000D+02 0.5070814109D+00 0.1420000000D+02 0.2589905057D+00 P 3 1.00 0.000000000000 0.1420000000D+02 0.7965393516D-01 0.7438000000D+01 0.3734184481D+00 0.3526000000D+01 0.6049298854D+00 P 1 1.00 0.000000000000 0.1595000000D+01 0.1000000000D+01 P 1 1.00 0.000000000000 0.8462000000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.3186000000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.1096000000D+00 0.1000000000D+01 D 4 1.00 0.000000000000 0.1348000000D+03 0.1830939254D-01 0.3639000000D+02 0.1349955212D+00 0.1216000000D+02 0.4260858635D+00 0.4341000000D+01 0.6042799515D+00 D 1 1.00 0.000000000000 0.1535000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.9020000000D+00 0.1000000000D+01 D 1 1.00 0.000000000000 0.2255000000D+00 0.1000000000D+01 **** 10 0 S 3 1.00 0.000000000000 0.3386500000D+02 0.2549381454D-01 0.5094790000D+01 0.1903731086D+00 0.1158790000D+01 0.8521614860D+00 S 1 1.00 0.000000000000 0.3258400000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.1027410000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.7500000000D+00 0.1000000000D+01 **** 11 0 S 3 1.00 0.000000000000 0.3386500000D+02 0.2549381454D-01 0.5094790000D+01 0.1903731086D+00 0.1158790000D+01 0.8521614860D+00 S 1 1.00 0.000000000000 0.3258400000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.1027410000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.7500000000D+00 0.1000000000D+01 **** 12 0 S 3 1.00 0.000000000000 0.3386500000D+02 0.2549381454D-01 0.5094790000D+01 0.1903731086D+00 0.1158790000D+01 0.8521614860D+00 S 1 1.00 0.000000000000 0.3258400000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.1027410000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.7500000000D+00 0.1000000000D+01 **** 13 0 S 3 1.00 0.000000000000 0.3386500000D+02 0.2549381454D-01 0.5094790000D+01 0.1903731086D+00 0.1158790000D+01 0.8521614860D+00 S 1 1.00 0.000000000000 0.3258400000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.1027410000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.7500000000D+00 0.1000000000D+01 **** There are 134 symmetry adapted cartesian basis functions of A1 symmetry. There are 28 symmetry adapted cartesian basis functions of A2 symmetry. There are 51 symmetry adapted cartesian basis functions of B1 symmetry. There are 85 symmetry adapted cartesian basis functions of B2 symmetry. There are 120 symmetry adapted basis functions of A1 symmetry. There are 28 symmetry adapted basis functions of A2 symmetry. There are 51 symmetry adapted basis functions of B1 symmetry. There are 81 symmetry adapted basis functions of B2 symmetry. 280 basis functions, 448 primitive gaussians, 298 cartesian basis functions 44 alpha electrons 44 beta electrons nuclear repulsion energy 494.6716489701 Hartrees. NAtoms= 13 NActive= 13 NUniq= 9 SFac= 2.09D+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= 280 RedAO= T EigKep= 3.06D-06 NBF= 120 28 51 81 NBsUse= 280 1.00D-06 EigRej= -1.00D+00 NBFU= 120 28 51 81 ExpMin= 1.46D-02 ExpMax= 4.40D+05 ExpMxC= 1.51D+04 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. Initial guess orbital symmetries: Occupied (A1) (A1) (A1) (B2) (B1) (A1) (A1) (B2) (A1) (B2) (A1) (A1) (A1) (A1) (B2) (B1) (A1) (A1) (B2) (B1) (A1) (A2) (A1) (B2) (B1) (A1) (B2) (A1) (A1) (B2) (A1) (A1) (B2) (A1) (B2) (A1) (B1) (B2) (A1) (B1) (B2) (A1) (A2) (B1) Virtual (B1) (A2) (A1) (B2) (B1) (A1) (B2) (B1) (A1) (A1) (A1) (B1) (B2) (A1) (B1) (B2) (A1) (A2) (A1) (B2) (A1) (B1) (A1) (B1) (B2) (A2) (B2) (A1) (B2) (A1) (B1) (B2) (A1) (B1) (A2) (B2) (A1) (A1) (A1) (B1) (B2) (A1) (B1) (A1) (B2) (A1) (B2) (A1) (A1) (B2) (B2) (A1) (A2) (A1) (B2) (A1) (B2) (A1) (B1) (A1) (B2) (A1) (A1) (A1) (B2) (B1) (B2) (B2) (A1) (B1) (A2) (B2) (B1) (A1) (B1) (A1) (A2) (B2) (A1) (A2) (A1) (B1) (B2) (A1) (B1) (B1) (B2) (A1) (B1) (A2) (B2) (A1) (B2) (A1) (B1) (A2) (A1) (B2) (A1) (A2) (B2) (A1) (B2) (A1) (A1) (B1) (A1) (B2) (A1) (B2) (A2) (B2) (A1) (B1) (A1) (A2) (B1) (A1) (A1) (B2) (A1) (B2) (B1) (A1) (B2) (A1) (A1) (B2) (B2) (A1) (B2) (A2) (B1) (B2) (A1) (A2) (A2) (A1) (B1) (A1) (B1) (B2) (A2) (A1) (B1) (B2) (B2) (A1) (B1) (A1) (B2) (A1) (B2) (A1) (B1) (A1) (B2) (A1) (B2) (A1) (B2) (A2) (A2) (B1) (B1) (A1) (B2) (B2) (A2) (B1) (A1) (A1) (B1) (B2) (B2) (A1) (B1) (A2) (A2) (A1) (B2) (A1) (B1) (A1) (B2) (A1) (B2) (A1) (A2) (B1) (A2) (B1) (A1) (B1) (A2) (B2) (A1) (B2) (A1) (A1) (B2) (A1) (B2) (A1) (B2) (A1) (A1) (B2) (A1) (A1) (B2) (B2) (B1) (B2) (A1) (A2) (A1) (B1) (B2) (A1) (A1) (B1) (B2) (A1) (A1) (B2) (A1) (B2) (A1) (A1) (A1) (A1) (B1) (B2) (A1) (A1) The electronic state of the initial guess is 1-A1. 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. SCF Done: E(RB3LYP) = -3006.02969535 A.U. after 13 cycles NFock= 13 Conv=0.53D-08 -V/T= 2.0014 ********************************************************************** Population analysis using the SCF Density. ********************************************************************** Orbital symmetries: Occupied (A1) (A1) (A1) (B2) (B1) (A1) (B2) (A1) (A1) (B2) (A1) (A1) (A1) (A1) (B2) (B1) (A1) (A1) (B2) (B1) (A1) (A2) (B2) (B1) (A1) (A1) (B2) (A1) (A1) (B2) (A1) (A1) (A1) (B2) (B2) (A1) (B1) (B2) (A1) (B2) (B1) (A1) (A2) (B1) Virtual (A1) (B1) (B2) (A2) (B1) (A1) (B2) (A1) (A1) (B1) (B2) (A1) (A1) (B1) (B2) (A1) (A1) (A2) (B1) (B2) (A1) (B1) (A1) (B2) (A2) (B1) (A1) (B2) (B2) (B1) (A1) (B1) (B2) (A2) (A1) (B1) (A1) (B2) (A1) (A1) (B2) (A1) (A1) (B2) (B1) (A1) (B2) (A1) (B2) (A1) (B2) (A1) (A1) (B2) (A1) (A2) (B2) (A1) (A1) (B1) (B2) (A1) (A1) (B2) (B1) (A1) (B2) (A1) (B2) (B1) (A2) (A1) (B2) (B1) (B1) (A1) (A2) (B1) (B2) (A1) (A1) (B2) (A2) (B1) (A1) (B1) (B2) (B2) (A1) (A2) (B1) (A1) (A2) (B2) (A1) (A1) (B2) (A1) (B2) (B1) (A1) (A2) (A1) (B2) (A1) (B1) (A1) (B2) (B2) (A1) (A2) (A1) (B2) (B1) (A1) (A2) (A1) (B1) (A1) (B1) (B2) (A1) (B2) (B2) (A1) (A1) (B2) (A1) (B2) (A1) (B2) (A2) (B1) (B2) (A1) (A2) (A2) (A1) (B1) (A1) (B1) (B2) (A2) (A1) (B1) (B2) (B2) (B1) (A1) (A1) (A1) (B2) (B2) (A1) (B1) (A1) (B2) (A1) (B2) (B2) (A1) (A2) (B1) (A1) (A2) (B1) (B2) (B2) (A2) (A1) (B1) (A1) (B1) (B2) (B2) (A1) (B1) (A2) (A1) (A2) (B2) (B1) (A1) (A1) (B2) (A1) (A1) (A2) (B2) (B1) (A2) (B1) (A1) (B1) (A2) (A1) (B2) (B2) (A1) (A1) (B2) (A1) (B2) (A1) (B2) (A1) (A1) (B2) (A1) (A1) (B2) (B2) (B1) (B2) (A1) (A2) (A1) (B1) (B2) (A1) (A1) (B1) (B2) (A1) (A1) (B2) (A1) (B2) (A1) (A1) (A1) (A1) (B1) (B2) (A1) (A1) The electronic state is 1-A1. Alpha occ. eigenvalues -- -482.78324 -62.43839 -56.25620 -56.25516 -56.25513 Alpha occ. eigenvalues -- -46.82644 -10.17827 -10.17826 -10.17793 -10.17623 Alpha occ. eigenvalues -- -10.17614 -10.16142 -8.65719 -6.48261 -6.47862 Alpha occ. eigenvalues -- -6.47856 -3.13106 -2.59399 -2.59276 -2.59271 Alpha occ. eigenvalues -- -2.58949 -2.58949 -1.87902 -1.87844 -1.87162 Alpha occ. eigenvalues -- -0.85564 -0.75003 -0.74176 -0.73890 -0.60564 Alpha occ. eigenvalues -- -0.59639 -0.51989 -0.45421 -0.45116 -0.42520 Alpha occ. eigenvalues -- -0.39568 -0.37181 -0.34661 -0.33573 -0.28814 Alpha occ. eigenvalues -- -0.28793 -0.27205 -0.26001 -0.25946 Alpha virt. eigenvalues -- -0.05728 -0.03813 -0.02439 -0.01983 -0.00205 Alpha virt. eigenvalues -- -0.00137 0.01526 0.01813 0.02686 0.03124 Alpha virt. eigenvalues -- 0.03707 0.04048 0.05852 0.06199 0.06452 Alpha virt. eigenvalues -- 0.07556 0.07875 0.07895 0.08906 0.09086 Alpha virt. eigenvalues -- 0.09380 0.11090 0.11216 0.11432 0.11884 Alpha virt. eigenvalues -- 0.12184 0.13035 0.13362 0.14419 0.15504 Alpha virt. eigenvalues -- 0.16678 0.16789 0.16834 0.17111 0.17700 Alpha virt. eigenvalues -- 0.18540 0.19193 0.19974 0.20117 0.20652 Alpha virt. eigenvalues -- 0.21256 0.22151 0.22867 0.23443 0.23463 Alpha virt. eigenvalues -- 0.24696 0.24961 0.26080 0.27063 0.27363 Alpha virt. eigenvalues -- 0.27992 0.31127 0.32121 0.32423 0.33457 Alpha virt. eigenvalues -- 0.35741 0.37084 0.37985 0.41333 0.41522 Alpha virt. eigenvalues -- 0.43746 0.44022 0.45327 0.47446 0.48036 Alpha virt. eigenvalues -- 0.49712 0.51138 0.51938 0.51997 0.52220 Alpha virt. eigenvalues -- 0.53264 0.54066 0.55504 0.56127 0.58169 Alpha virt. eigenvalues -- 0.60124 0.60396 0.61144 0.61994 0.62884 Alpha virt. eigenvalues -- 0.64677 0.64791 0.65056 0.66180 0.68443 Alpha virt. eigenvalues -- 0.69645 0.69694 0.73643 0.73820 0.73888 Alpha virt. eigenvalues -- 0.73889 0.75077 0.76926 0.77987 0.78537 Alpha virt. eigenvalues -- 0.78764 0.80676 0.80963 0.81580 0.81805 Alpha virt. eigenvalues -- 0.82793 0.84301 0.84991 0.86027 0.91800 Alpha virt. eigenvalues -- 0.94536 0.97815 0.98274 1.03910 1.05435 Alpha virt. eigenvalues -- 1.12142 1.12602 1.13734 1.15187 1.22441 Alpha virt. eigenvalues -- 1.22811 1.23568 1.24088 1.31269 1.32118 Alpha virt. eigenvalues -- 1.32984 1.33841 1.35426 1.35867 1.35883 Alpha virt. eigenvalues -- 1.49426 1.51729 1.52920 1.55507 1.57555 Alpha virt. eigenvalues -- 1.58717 1.58904 1.65742 1.70152 1.73507 Alpha virt. eigenvalues -- 1.77826 1.83770 1.84735 1.88075 1.89946 Alpha virt. eigenvalues -- 1.93604 1.95349 1.98876 2.04252 2.04510 Alpha virt. eigenvalues -- 2.05669 2.07620 2.15494 2.16679 2.21332 Alpha virt. eigenvalues -- 2.32475 2.33836 2.45404 2.51942 2.64230 Alpha virt. eigenvalues -- 2.66357 2.66378 2.69486 2.74295 2.76028 Alpha virt. eigenvalues -- 2.76176 2.83141 2.83979 2.83985 2.84052 Alpha virt. eigenvalues -- 2.85289 2.95897 3.00703 3.06443 3.09268 Alpha virt. eigenvalues -- 3.10253 3.13105 3.15567 3.20850 3.21792 Alpha virt. eigenvalues -- 3.22502 3.29402 3.29870 3.30686 3.31724 Alpha virt. eigenvalues -- 3.36001 3.38927 3.38959 3.43555 3.44410 Alpha virt. eigenvalues -- 3.46995 3.53571 3.56923 3.57192 3.58125 Alpha virt. eigenvalues -- 3.59710 3.60285 3.61871 3.65319 3.74239 Alpha virt. eigenvalues -- 3.74768 3.74788 3.81581 3.82805 3.86839 Alpha virt. eigenvalues -- 3.87612 3.91931 3.93310 3.94986 3.98150 Alpha virt. eigenvalues -- 4.03098 4.44063 4.51840 4.61726 4.78109 Alpha virt. eigenvalues -- 4.82034 5.24933 5.76426 5.88052 6.13181 Alpha virt. eigenvalues -- 6.21282 6.21865 6.30118 6.32658 6.32952 Alpha virt. eigenvalues -- 6.87912 7.59225 7.59766 7.71491 23.62827 Alpha virt. eigenvalues -- 23.98145 23.98696 24.02528 24.08244 24.10966 Alpha virt. eigenvalues -- 48.09543 103.27650 289.80700 289.81224 289.93098 Alpha virt. eigenvalues -- 1020.92513 Molecular Orbital Coefficients: 1 2 3 4 5 (A1)--O (A1)--O (A1)--O (B2)--O (B1)--O Eigenvalues -- -482.78324 -62.43839 -56.25620 -56.25516 -56.25513 1 1 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 2 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY 0.00000 0.00000 -0.00001 -0.00000 0.00000 5 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 6 3S 0.00000 0.00001 -0.00004 -0.00001 0.00000 7 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 8 3PY -0.00000 -0.00001 0.00004 0.00001 0.00000 9 3PZ 0.00000 0.00004 -0.00001 0.00001 0.00000 10 4S 0.00003 0.00046 0.00048 0.00022 0.00000 11 4PX 0.00000 0.00000 0.00000 0.00000 0.00001 12 4PY 0.00000 0.00001 0.00015 -0.00003 0.00000 13 4PZ 0.00002 0.00028 0.00010 0.00019 0.00000 14 5S 0.00009 0.00121 -0.00682 -0.00155 0.00000 15 5PX 0.00000 0.00000 0.00000 0.00000 0.00006 16 5PY 0.00007 0.00100 -0.00059 0.00149 0.00000 17 5PZ -0.00003 -0.00045 -0.00128 -0.00298 0.00000 18 6D 0 -0.00000 -0.00000 0.00000 -0.00000 0.00000 19 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 20 6D-1 0.00000 0.00000 -0.00000 -0.00000 0.00000 21 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 22 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 23 7D 0 0.00001 0.00012 -0.00004 0.00001 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 25 7D-1 -0.00001 -0.00012 0.00011 0.00002 0.00000 26 7D+2 0.00000 0.00004 -0.00006 -0.00000 0.00000 27 7D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 28 2 C 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 29 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY 0.00000 0.00000 0.00000 -0.00000 0.00000 32 2PZ -0.00000 -0.00001 0.00001 0.00000 0.00000 33 3S 0.00000 0.00002 0.00000 0.00000 0.00000 34 3PX 0.00000 0.00000 0.00000 0.00000 -0.00000 35 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 36 3PZ 0.00000 0.00004 -0.00005 0.00000 0.00000 37 4S -0.00002 -0.00028 -0.00020 0.00000 0.00000 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY 0.00000 0.00000 0.00000 -0.00012 0.00000 40 4PZ -0.00001 -0.00011 -0.00016 0.00000 0.00000 41 5S -0.00028 -0.00400 0.00398 0.00000 0.00000 42 5PX 0.00000 0.00000 0.00000 0.00000 -0.00004 43 5PY 0.00000 0.00000 0.00000 0.00295 0.00000 44 5PZ -0.00002 -0.00035 0.00092 0.00000 0.00000 45 6D 0 0.00000 0.00000 -0.00001 0.00000 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 47 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 48 6D+2 -0.00000 -0.00000 0.00000 0.00000 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00000 0.00005 -0.00002 0.00000 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.00000 0.00000 -0.00000 0.00000 53 7D+2 0.00000 0.00007 -0.00002 0.00000 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 56 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY -0.00000 -0.00000 0.00001 -0.00000 0.00000 59 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 60 3S 0.00000 0.00001 -0.00004 0.00001 0.00000 61 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 62 3PY 0.00000 0.00001 -0.00004 0.00001 0.00000 63 3PZ 0.00000 0.00004 -0.00001 -0.00001 0.00000 64 4S 0.00003 0.00046 0.00048 -0.00022 0.00000 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00001 66 4PY -0.00000 -0.00001 -0.00015 -0.00003 0.00000 67 4PZ 0.00002 0.00028 0.00010 -0.00019 0.00000 68 5S 0.00009 0.00121 -0.00682 0.00155 0.00000 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00006 70 5PY -0.00007 -0.00100 0.00059 0.00149 0.00000 71 5PZ -0.00003 -0.00045 -0.00128 0.00298 0.00000 72 6D 0 -0.00000 -0.00000 0.00000 0.00000 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 74 6D-1 -0.00000 -0.00000 0.00000 -0.00000 0.00000 75 6D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.00001 0.00012 -0.00004 -0.00001 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 79 7D-1 0.00001 0.00012 -0.00011 0.00002 0.00000 80 7D+2 0.00000 0.00004 -0.00006 0.00000 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY 0.00000 0.00001 -0.00000 -0.00000 0.00000 86 2PZ -0.00000 -0.00001 0.00000 -0.00000 0.00000 87 3S -0.00000 -0.00006 0.00008 0.00001 0.00000 88 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 89 3PY -0.00000 -0.00002 0.00000 0.00001 0.00000 90 3PZ 0.00000 0.00006 -0.00001 0.00002 0.00000 91 4S 0.00001 0.00007 -0.00072 0.00002 0.00000 92 4PX 0.00000 0.00000 0.00000 0.00000 0.00005 93 4PY -0.00004 -0.00057 0.00041 0.00006 0.00000 94 4PZ 0.00001 0.00012 0.00030 -0.00034 0.00000 95 5S 0.00005 0.00077 0.00468 -0.00174 0.00000 96 5PX 0.00000 0.00000 0.00000 0.00000 -0.00012 97 5PY 0.00003 0.00047 0.00005 -0.00162 0.00000 98 5PZ -0.00011 -0.00150 -0.00106 0.00305 0.00000 99 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 -0.00000 -0.00000 0.00000 -0.00000 0.00000 102 6D+2 0.00000 0.00001 -0.00000 -0.00000 0.00000 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 -0.00001 -0.00018 0.00012 0.00000 0.00000 105 7D+1 0.00000 0.00000 0.00000 0.00000 -0.00001 106 7D-1 0.00001 0.00012 -0.00017 0.00004 0.00000 107 7D+2 -0.00001 -0.00016 0.00015 0.00000 0.00000 108 7D-2 0.00000 0.00000 0.00000 0.00000 -0.00002 109 5 C 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 110 2S -0.00000 -0.00001 0.00002 0.00000 0.00000 111 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 112 2PY 0.00000 0.00000 0.00000 -0.00000 0.00000 113 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 114 3S 0.00001 0.00015 -0.00022 0.00000 0.00000 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 116 3PY 0.00000 0.00000 0.00000 0.00002 0.00000 117 3PZ 0.00000 0.00005 -0.00007 0.00000 0.00000 118 4S -0.00014 -0.00192 0.00170 0.00000 0.00000 119 4PX 0.00000 0.00000 0.00000 0.00000 -0.00011 120 4PY 0.00000 0.00000 0.00000 0.00022 0.00000 121 4PZ 0.00004 0.00061 -0.00008 0.00000 0.00000 122 5S 0.00033 0.00472 0.00079 0.00000 0.00000 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00002 124 5PY 0.00000 0.00000 0.00000 -0.00275 0.00000 125 5PZ 0.00031 0.00436 -0.00119 0.00000 0.00000 126 6D 0 0.00000 0.00003 -0.00005 0.00000 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 128 6D-1 0.00000 0.00000 0.00000 -0.00000 0.00000 129 6D+2 0.00000 0.00001 -0.00001 0.00000 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 -0.00002 -0.00032 0.00042 0.00000 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00001 133 7D-1 0.00000 0.00000 0.00000 0.00001 0.00000 134 7D+2 -0.00001 -0.00010 0.00011 0.00000 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 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 -0.00001 0.00000 -0.00000 0.00000 140 2PZ -0.00000 -0.00001 0.00000 0.00000 0.00000 141 3S -0.00000 -0.00006 0.00008 -0.00001 0.00000 142 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 143 3PY 0.00000 0.00002 -0.00000 0.00001 0.00000 144 3PZ 0.00000 0.00006 -0.00001 -0.00002 0.00000 145 4S 0.00001 0.00007 -0.00072 -0.00002 0.00000 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00005 147 4PY 0.00004 0.00057 -0.00041 0.00006 0.00000 148 4PZ 0.00001 0.00012 0.00030 0.00034 0.00000 149 5S 0.00005 0.00077 0.00468 0.00174 0.00000 150 5PX 0.00000 0.00000 0.00000 0.00000 -0.00012 151 5PY -0.00003 -0.00047 -0.00005 -0.00162 0.00000 152 5PZ -0.00011 -0.00150 -0.00106 -0.00305 0.00000 153 6D 0 0.00000 0.00000 0.00000 -0.00000 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00000 0.00000 -0.00000 -0.00000 0.00000 156 6D+2 0.00000 0.00001 -0.00000 0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 158 7D 0 -0.00001 -0.00018 0.00012 -0.00000 0.00000 159 7D+1 0.00000 0.00000 0.00000 0.00000 -0.00001 160 7D-1 -0.00001 -0.00012 0.00017 0.00004 0.00000 161 7D+2 -0.00001 -0.00016 0.00015 -0.00000 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00002 163 7 H 1S -0.00000 -0.00002 0.00001 -0.00000 0.00000 164 2S -0.00001 -0.00009 0.00017 0.00003 0.00000 165 3S 0.00002 0.00025 -0.00030 -0.00013 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY -0.00000 -0.00001 0.00002 0.00000 0.00000 168 4PZ 0.00000 0.00002 -0.00003 -0.00000 0.00000 169 8 Mg 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 170 2S -0.00000 -0.00001 0.00002 0.00000 0.00000 171 3S 0.00001 0.00008 -0.00011 0.00000 0.00000 172 4S -0.00002 -0.00021 0.00028 0.00000 0.00000 173 5S 0.00002 0.00021 -0.00034 0.00000 0.00000 174 6S -0.00008 -0.00115 0.00030 0.00000 0.00000 175 7S 0.00000 0.00002 0.00014 0.00000 0.00000 176 7PX 0.00000 0.00000 0.00000 0.00000 0.00015 177 7PY 0.00000 0.00000 0.00000 0.00019 0.00000 178 7PZ -0.00000 -0.00005 0.00013 0.00000 0.00000 179 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 8PZ -0.00000 -0.00001 -0.00001 0.00000 0.00000 182 9PX 0.00000 0.00000 0.00000 0.00000 -0.00001 183 9PY 0.00000 0.00000 0.00000 -0.00001 0.00000 184 9PZ 0.00000 0.00002 0.00005 0.00000 0.00000 185 10PX 0.00000 0.00000 0.00000 0.00000 0.00002 186 10PY 0.00000 0.00000 0.00000 0.00001 0.00000 187 10PZ -0.00001 -0.00012 -0.00004 0.00000 0.00000 188 11PX 0.00000 0.00000 0.00000 0.00000 -0.00011 189 11PY 0.00000 0.00000 0.00000 -0.00011 0.00000 190 11PZ 0.00016 0.00219 0.00002 0.00000 0.00000 191 12PX 0.00000 0.00000 0.00000 0.00000 0.00010 192 12PY 0.00000 0.00000 0.00000 0.00003 0.00000 193 12PZ 0.00015 0.00211 0.00122 0.00000 0.00000 194 13D 0 0.00001 0.00017 -0.00036 0.00000 0.00000 195 13D+1 0.00000 0.00000 0.00000 0.00000 0.00004 196 13D-1 0.00000 0.00000 0.00000 0.00005 0.00000 197 13D+2 0.00000 0.00002 -0.00001 0.00000 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00010 0.00147 -0.00090 0.00000 0.00000 200 14D+1 0.00000 0.00000 0.00000 0.00000 -0.00021 201 14D-1 0.00000 0.00000 0.00000 -0.00020 0.00000 202 14D+2 -0.00000 -0.00006 0.00001 0.00000 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.38999 -0.12879 -0.00005 0.00000 0.00000 205 2S 0.67428 -0.37674 -0.00014 0.00000 0.00000 206 3S 0.00883 0.62886 0.00023 0.00000 0.00000 207 4S -0.00233 0.49833 0.00023 0.00000 0.00000 208 5S 0.00117 0.04784 -0.00007 0.00000 0.00000 209 6S -0.00059 -0.01001 0.00011 0.00000 0.00000 210 7S 0.00026 0.00377 -0.00037 0.00000 0.00000 211 8S -0.00031 -0.00433 0.00113 0.00000 0.00000 212 9S -0.00012 -0.00175 -0.00133 0.00000 0.00000 213 9PX 0.00000 0.00000 0.00000 0.00000 -0.00048 214 9PY 0.00000 0.00000 0.00000 -0.00050 0.00000 215 9PZ 0.00002 0.00031 -0.00001 0.00000 0.00000 216 10PX 0.00000 0.00000 0.00000 0.00000 0.12677 217 10PY 0.00000 0.00000 0.00000 0.12677 0.00000 218 10PZ -0.00000 -0.00004 0.12677 0.00000 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.92383 220 11PY 0.00000 0.00000 0.00000 0.92383 0.00000 221 11PZ -0.00000 -0.00035 0.92382 0.00000 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.03205 223 12PY 0.00000 0.00000 0.00000 0.03205 0.00000 224 12PZ -0.00000 -0.00005 0.03212 0.00000 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 -0.01467 226 13PY 0.00000 0.00000 0.00000 -0.01468 0.00000 227 13PZ 0.00000 0.00009 -0.01492 0.00000 0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00902 229 14PY 0.00000 0.00000 0.00000 0.00904 0.00000 230 14PZ -0.00001 -0.00011 0.00942 0.00000 0.00000 231 15PX 0.00000 0.00000 0.00000 0.00000 -0.00309 232 15PY 0.00000 0.00000 0.00000 -0.00311 0.00000 233 15PZ -0.00000 -0.00001 -0.00347 0.00000 0.00000 234 16PX 0.00000 0.00000 0.00000 0.00000 0.00135 235 16PY 0.00000 0.00000 0.00000 0.00138 0.00000 236 16PZ 0.00013 0.00178 0.00095 0.00000 0.00000 237 17D 0 0.00000 0.00004 -0.00003 0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 -0.00002 239 17D-1 0.00000 0.00000 0.00000 -0.00002 0.00000 240 17D+2 -0.00000 -0.00000 0.00000 0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 -0.00001 -0.00016 0.00003 0.00000 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 -0.00002 244 18D-1 0.00000 0.00000 0.00000 -0.00002 0.00000 245 18D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00002 0.00024 -0.00005 0.00000 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00004 249 19D-1 0.00000 0.00000 0.00000 0.00004 0.00000 250 19D+2 -0.00000 -0.00000 0.00000 0.00000 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 -0.00003 -0.00048 0.00019 0.00000 0.00000 253 20D+1 0.00000 0.00000 0.00000 0.00000 -0.00008 254 20D-1 0.00000 0.00000 0.00000 -0.00008 0.00000 255 20D+2 0.00000 0.00001 -0.00000 0.00000 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S -0.00000 -0.00002 0.00001 0.00000 0.00000 258 2S -0.00001 -0.00009 0.00017 -0.00003 0.00000 259 3S 0.00002 0.00025 -0.00030 0.00013 0.00000 260 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 261 4PY 0.00000 0.00001 -0.00002 0.00000 0.00000 262 4PZ 0.00000 0.00002 -0.00003 0.00000 0.00000 263 11 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 264 2S 0.00001 0.00012 -0.00010 0.00000 0.00000 265 3S -0.00001 -0.00010 0.00015 -0.00000 0.00000 266 4PX 0.00000 0.00000 0.00000 0.00000 -0.00000 267 4PY -0.00000 -0.00002 0.00001 -0.00000 0.00000 268 4PZ 0.00000 0.00001 -0.00000 0.00000 0.00000 269 12 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 270 2S -0.00000 -0.00000 -0.00002 0.00000 0.00000 271 3S 0.00000 0.00001 -0.00010 0.00000 0.00000 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4PZ 0.00000 0.00001 -0.00001 0.00000 0.00000 275 13 H 1S 0.00000 0.00000 -0.00001 -0.00000 0.00000 276 2S 0.00001 0.00012 -0.00010 -0.00000 0.00000 277 3S -0.00001 -0.00010 0.00015 0.00000 0.00000 278 4PX 0.00000 0.00000 0.00000 0.00000 -0.00000 279 4PY 0.00000 0.00002 -0.00001 -0.00000 0.00000 280 4PZ 0.00000 0.00001 -0.00000 -0.00000 0.00000 6 7 8 9 10 (A1)--O (B2)--O (A1)--O (A1)--O (B2)--O Eigenvalues -- -46.82644 -10.17827 -10.17826 -10.17793 -10.17623 1 1 C 1S -0.00000 -0.05893 0.06330 0.08332 0.39363 2 2S 0.00000 -0.04844 0.05228 0.06862 0.32387 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY -0.00000 0.00018 0.00012 0.00060 -0.00027 5 2PZ 0.00001 -0.00051 0.00049 -0.00055 -0.00013 6 3S -0.00001 -0.00393 0.00174 0.00392 0.01589 7 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 3PY 0.00000 -0.00141 -0.00087 -0.00203 0.00199 9 3PZ -0.00008 0.00178 -0.00189 0.00213 0.00042 10 4S -0.00143 -0.00331 0.00269 0.00082 -0.00558 11 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 12 4PY -0.00041 -0.00423 0.00440 -0.00037 -0.00141 13 4PZ -0.00059 0.00239 0.00059 0.00430 -0.00335 14 5S 0.00088 0.02752 0.00823 -0.00638 0.01115 15 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 5PY -0.00098 0.00639 0.00227 0.00191 0.00315 17 5PZ 0.00104 -0.00428 0.00069 -0.00259 0.00347 18 6D 0 0.00000 -0.00003 -0.00006 0.00016 0.00044 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 -0.00000 0.00011 0.00001 0.00006 -0.00006 21 6D+2 -0.00000 0.00014 -0.00009 -0.00005 -0.00072 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 7D 0 -0.00012 0.00336 -0.00266 0.00181 -0.00108 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 0.00010 -0.00036 0.00068 0.00403 -0.00081 26 7D+2 0.00002 0.00117 -0.00061 0.00194 0.00005 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 C 1S 0.00000 0.00000 0.07575 0.54232 0.00000 29 2S -0.00000 0.00000 0.06244 0.44625 0.00000 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY 0.00000 0.00034 0.00000 0.00000 -0.00095 32 2PZ -0.00000 0.00000 0.00027 -0.00017 0.00000 33 3S 0.00002 0.00000 0.00194 0.02191 0.00000 34 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 35 3PY 0.00000 -0.00183 0.00000 0.00000 0.00338 36 3PZ 0.00002 0.00000 -0.00190 0.00155 0.00000 37 4S 0.00090 0.00000 -0.00571 -0.00457 0.00000 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY 0.00000 -0.00482 0.00000 0.00000 0.00478 40 4PZ 0.00054 0.00000 -0.00524 -0.00337 0.00000 41 5S 0.00342 0.00000 -0.01500 0.00455 0.00000 42 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 5PY 0.00000 0.01161 0.00000 0.00000 -0.00164 44 5PZ 0.00013 0.00000 -0.00342 0.00414 0.00000 45 6D 0 -0.00000 0.00000 0.00009 0.00050 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 -0.00007 0.00000 0.00000 0.00017 48 6D+2 0.00000 0.00000 0.00010 -0.00092 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 -0.00007 0.00000 0.00018 -0.00021 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00000 -0.00387 0.00000 0.00000 0.00473 53 7D+2 -0.00007 0.00000 -0.00090 0.00038 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S -0.00000 0.05893 0.06330 0.08332 -0.39363 56 2S 0.00000 0.04844 0.05228 0.06862 -0.32387 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.00000 0.00018 -0.00012 -0.00060 -0.00027 59 2PZ 0.00001 0.00051 0.00049 -0.00055 0.00013 60 3S -0.00001 0.00393 0.00174 0.00392 -0.01589 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY -0.00000 -0.00141 0.00087 0.00203 0.00199 63 3PZ -0.00008 -0.00178 -0.00189 0.00213 -0.00042 64 4S -0.00143 0.00331 0.00269 0.00082 0.00558 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY 0.00041 -0.00423 -0.00440 0.00037 -0.00141 67 4PZ -0.00059 -0.00239 0.00059 0.00430 0.00335 68 5S 0.00088 -0.02752 0.00823 -0.00638 -0.01115 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY 0.00098 0.00639 -0.00227 -0.00191 0.00315 71 5PZ 0.00104 0.00428 0.00069 -0.00259 -0.00347 72 6D 0 0.00000 0.00003 -0.00006 0.00016 -0.00044 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.00011 -0.00001 -0.00006 -0.00006 75 6D+2 -0.00000 -0.00014 -0.00009 -0.00005 0.00072 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 -0.00012 -0.00336 -0.00266 0.00181 0.00108 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 -0.00010 -0.00036 -0.00068 -0.00403 -0.00081 80 7D+2 0.00002 -0.00117 -0.00061 0.00194 -0.00005 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S 0.00000 0.39363 0.38917 -0.06634 0.05898 83 2S -0.00001 0.32387 0.32033 -0.05450 0.04857 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY 0.00000 0.00027 0.00003 -0.00009 -0.00004 86 2PZ 0.00000 0.00000 0.00004 -0.00033 0.00050 87 3S -0.00001 0.01597 0.01422 -0.00357 0.00096 88 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 3PY -0.00003 -0.00142 0.00066 0.00069 0.00042 90 3PZ -0.00002 -0.00055 -0.00052 0.00199 -0.00141 91 4S 0.00105 -0.00569 -0.00917 0.00071 -0.00649 92 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 4PY 0.00015 0.00296 0.00586 -0.00106 0.00313 94 4PZ -0.00040 0.00066 0.00220 0.00277 0.00034 95 5S -0.00028 0.03758 -0.01095 -0.01397 0.00797 96 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PY -0.00103 -0.01025 0.00162 0.00599 -0.00126 98 5PZ 0.00140 0.00174 0.00099 -0.00274 -0.00032 99 6D 0 -0.00002 0.00042 0.00026 -0.00021 0.00010 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 0.00001 -0.00003 0.00007 0.00007 0.00006 102 6D+2 -0.00001 -0.00069 -0.00050 0.00018 -0.00009 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 0.00027 -0.00091 0.00059 -0.00167 0.00223 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 -0.00012 -0.00106 0.00058 -0.00159 -0.00028 107 7D+2 0.00004 0.00024 -0.00049 -0.00176 0.00089 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 5 C 1S 0.00001 0.00000 0.01186 -0.00264 0.00000 110 2S -0.00002 0.00000 0.00988 -0.00200 0.00000 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY 0.00000 0.00094 0.00000 0.00000 -0.00001 113 2PZ 0.00001 0.00000 -0.00043 -0.00010 0.00000 114 3S 0.00031 0.00000 0.00130 -0.00206 0.00000 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY 0.00000 -0.00328 0.00000 0.00000 0.00052 117 3PZ 0.00006 0.00000 0.00134 0.00134 0.00000 118 4S -0.00229 0.00000 0.00320 -0.00654 0.00000 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY 0.00000 -0.00107 0.00000 0.00000 0.00251 121 4PZ -0.00182 0.00000 -0.00720 0.00107 0.00000 122 5S -0.01055 0.00000 0.01869 0.03081 0.00000 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 5PY 0.00000 -0.01629 0.00000 0.00000 0.00300 125 5PZ -0.00222 0.00000 -0.01176 -0.00849 0.00000 126 6D 0 0.00000 0.00000 0.00001 0.00006 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00019 0.00000 0.00000 -0.00002 129 6D+2 -0.00001 0.00000 0.00007 0.00013 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 -0.00004 0.00000 0.00036 -0.00063 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.00000 0.00355 0.00000 0.00000 -0.00141 134 7D+2 0.00017 0.00000 0.00185 -0.00042 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S 0.00000 -0.39363 0.38917 -0.06634 -0.05898 137 2S -0.00001 -0.32387 0.32033 -0.05450 -0.04857 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY -0.00000 0.00027 -0.00003 0.00009 -0.00004 140 2PZ 0.00000 -0.00000 0.00004 -0.00033 -0.00050 141 3S -0.00001 -0.01597 0.01422 -0.00357 -0.00096 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY 0.00003 -0.00142 -0.00066 -0.00069 0.00042 144 3PZ -0.00002 0.00055 -0.00052 0.00199 0.00141 145 4S 0.00105 0.00569 -0.00917 0.00071 0.00649 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY -0.00015 0.00296 -0.00586 0.00106 0.00313 148 4PZ -0.00040 -0.00066 0.00220 0.00277 -0.00034 149 5S -0.00028 -0.03758 -0.01095 -0.01397 -0.00797 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY 0.00103 -0.01025 -0.00162 -0.00599 -0.00126 152 5PZ 0.00140 -0.00174 0.00099 -0.00274 0.00032 153 6D 0 -0.00002 -0.00042 0.00026 -0.00021 -0.00010 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 -0.00001 -0.00003 -0.00007 -0.00007 0.00006 156 6D+2 -0.00001 0.00069 -0.00050 0.00018 0.00009 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.00027 0.00091 0.00059 -0.00167 -0.00223 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 0.00012 -0.00106 -0.00058 0.00159 -0.00028 161 7D+2 0.00004 -0.00024 -0.00049 -0.00176 -0.00089 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S 0.00001 -0.00031 0.00022 -0.00011 -0.00023 164 2S 0.00002 0.00138 -0.00429 -0.00091 -0.00038 165 3S -0.00009 -0.00069 0.00096 0.00025 0.00120 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00000 0.00074 -0.00145 0.00014 0.00012 168 4PZ -0.00002 -0.00070 0.00065 0.00055 0.00026 169 8 Mg 1S 0.41446 0.00000 -0.00000 0.00000 0.00000 170 2S 0.65003 0.00000 -0.00001 0.00000 0.00000 171 3S 0.00779 0.00000 0.00010 0.00000 0.00000 172 4S -0.00312 0.00000 -0.00025 -0.00003 0.00000 173 5S 0.00266 0.00000 0.00251 0.00026 0.00000 174 6S 0.00617 0.00000 0.01466 0.00585 0.00000 175 7S -0.00027 0.00000 0.00075 -0.00012 0.00000 176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PY 0.00000 0.00019 0.00000 0.00000 -0.00002 178 7PZ 0.00027 0.00000 -0.00043 0.00011 0.00000 179 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY 0.00000 -0.00004 0.00000 0.00000 0.00002 181 8PZ 0.00008 0.00000 -0.00001 0.00001 0.00000 182 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 9PY 0.00000 0.00015 0.00000 0.00000 -0.00007 184 9PZ -0.00002 0.00000 0.00002 -0.00002 0.00000 185 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 186 10PY 0.00000 -0.00077 0.00000 0.00000 0.00042 187 10PZ -0.00009 0.00000 -0.00029 -0.00008 0.00000 188 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 11PY 0.00000 0.00103 0.00000 0.00000 -0.00100 190 11PZ -0.00125 0.00000 -0.00395 -0.00062 0.00000 191 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 192 12PY 0.00000 0.00153 0.00000 0.00000 -0.00120 193 12PZ -0.00270 0.00000 0.00996 -0.00069 0.00000 194 13D 0 0.00030 0.00000 0.00018 0.00013 0.00000 195 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 196 13D-1 0.00000 0.00057 0.00000 0.00000 -0.00024 197 13D+2 -0.00001 0.00000 -0.00006 0.00006 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00192 0.00000 0.00125 0.00051 0.00000 200 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 201 14D-1 0.00000 -0.00051 0.00000 0.00000 0.00092 202 14D+2 0.00003 0.00000 -0.00000 -0.00001 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 205 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 206 3S 0.00002 0.00000 -0.00000 0.00000 0.00000 207 4S -0.00005 0.00000 0.00001 -0.00000 0.00000 208 5S 0.00012 0.00000 -0.00002 0.00001 0.00000 209 6S -0.00018 0.00000 0.00003 -0.00002 0.00000 210 7S 0.00056 0.00000 -0.00007 0.00009 0.00000 211 8S -0.00179 0.00000 0.00001 -0.00036 0.00000 212 9S 0.00042 0.00000 -0.01289 -0.00108 0.00000 213 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 214 9PY 0.00000 -0.00039 0.00000 0.00000 0.00033 215 9PZ -0.00013 0.00000 0.00433 0.00046 0.00000 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 -0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 -0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00001 0.00000 -0.00000 0.00000 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00001 0.00000 0.00000 -0.00000 224 12PZ -0.00004 0.00000 0.00001 -0.00000 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 -0.00004 0.00000 0.00000 0.00002 227 13PZ 0.00017 0.00000 -0.00008 0.00002 0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 0.00006 0.00000 0.00000 -0.00004 230 14PZ -0.00031 0.00000 0.00014 -0.00004 0.00000 231 15PX 0.00000 0.00000 0.00000 0.00000 0.00000 232 15PY 0.00000 -0.00006 0.00000 0.00000 0.00006 233 15PZ 0.00032 0.00000 -0.00020 0.00004 0.00000 234 16PX 0.00000 0.00000 0.00000 0.00000 0.00000 235 16PY 0.00000 0.00009 0.00000 0.00000 -0.00027 236 16PZ 0.00075 0.00000 0.00021 0.00017 0.00000 237 17D 0 -0.00000 0.00000 -0.00000 -0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 -0.00000 0.00000 0.00000 -0.00000 240 17D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 -0.00000 0.00000 0.00003 0.00000 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00002 0.00000 0.00000 0.00002 245 18D+2 -0.00000 0.00000 0.00000 -0.00001 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00002 0.00000 -0.00005 -0.00000 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00000 -0.00004 0.00000 0.00000 -0.00003 250 19D+2 0.00000 0.00000 -0.00000 0.00001 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 -0.00025 0.00000 0.00011 -0.00002 0.00000 253 20D+1 0.00000 0.00000 0.00000 0.00000 0.00000 254 20D-1 0.00000 0.00005 0.00000 0.00000 0.00007 255 20D+2 -0.00000 0.00000 0.00000 -0.00001 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.00001 0.00031 0.00022 -0.00011 0.00023 258 2S 0.00002 -0.00138 -0.00429 -0.00091 0.00038 259 3S -0.00009 0.00069 0.00096 0.00025 -0.00120 260 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 261 4PY -0.00000 0.00074 0.00145 -0.00014 0.00012 262 4PZ -0.00002 0.00070 0.00065 0.00055 -0.00026 263 11 H 1S -0.00000 -0.00017 -0.00022 -0.00020 -0.00032 264 2S -0.00007 -0.00088 -0.00104 -0.00136 0.00139 265 3S -0.00024 0.00187 0.00275 0.00200 -0.00046 266 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 267 4PY 0.00001 0.00005 0.00039 0.00089 -0.00070 268 4PZ -0.00000 -0.00057 -0.00062 0.00038 0.00066 269 12 H 1S -0.00001 0.00000 0.00004 0.00033 0.00000 270 2S 0.00013 0.00000 -0.00275 -0.00310 0.00000 271 3S 0.00002 0.00000 -0.00027 0.00140 0.00000 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 -0.00078 0.00000 0.00000 0.00084 274 4PZ 0.00001 0.00000 -0.00076 -0.00164 0.00000 275 13 H 1S -0.00000 0.00017 -0.00022 -0.00020 0.00032 276 2S -0.00007 0.00088 -0.00104 -0.00136 -0.00139 277 3S -0.00024 -0.00187 0.00275 0.00200 0.00046 278 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 4PY -0.00001 0.00005 -0.00039 -0.00089 -0.00070 280 4PZ -0.00000 0.00057 -0.00062 0.00038 -0.00066 11 12 13 14 15 (A1)--O (A1)--O (A1)--O (A1)--O (B2)--O Eigenvalues -- -10.17614 -10.16142 -8.65719 -6.48261 -6.47862 1 1 C 1S 0.38400 0.00037 0.00000 -0.00000 -0.00000 2 2S 0.31598 0.00036 0.00000 0.00000 0.00000 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY -0.00012 0.00014 0.00001 -0.00000 -0.00000 5 2PZ -0.00009 0.00019 -0.00001 -0.00000 -0.00000 6 3S 0.01471 -0.00058 0.00001 -0.00003 -0.00001 7 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 3PY 0.00029 -0.00091 -0.00002 0.00001 0.00000 9 3PZ 0.00057 -0.00146 0.00020 -0.00000 0.00001 10 4S -0.00784 -0.00030 0.00281 0.00020 0.00015 11 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 12 4PY -0.00792 -0.00169 0.00020 0.00006 -0.00000 13 4PZ -0.00321 -0.00329 0.00167 0.00008 0.00012 14 5S -0.02489 0.00419 0.00540 -0.00178 -0.00037 15 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 5PY -0.00252 -0.00164 0.00591 -0.00011 0.00048 17 5PZ -0.00457 0.00255 -0.00312 -0.00036 -0.00093 18 6D 0 0.00029 -0.00017 -0.00002 -0.00000 -0.00000 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 0.00006 0.00008 0.00001 -0.00000 -0.00000 21 6D+2 -0.00057 0.00007 0.00000 0.00000 -0.00000 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 7D 0 0.00228 0.00000 0.00061 -0.00001 0.00001 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 -0.00182 -0.00311 -0.00053 0.00006 0.00001 26 7D+2 0.00012 -0.00094 0.00018 -0.00003 -0.00000 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 C 1S -0.13030 0.00046 0.00000 -0.00000 0.00000 29 2S -0.10712 0.00054 -0.00000 0.00000 0.00000 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 32 2PZ 0.00044 0.00005 -0.00002 0.00000 0.00000 33 3S -0.00429 -0.00177 0.00009 0.00000 0.00000 34 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 35 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 36 3PZ -0.00146 -0.00080 0.00017 -0.00002 0.00000 37 4S 0.00772 -0.00463 -0.00155 -0.00004 0.00000 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY 0.00000 0.00000 0.00000 0.00000 -0.00005 40 4PZ 0.00834 0.00075 -0.00067 -0.00006 0.00000 41 5S 0.01264 0.01046 -0.02313 0.00098 0.00000 42 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 5PY 0.00000 0.00000 0.00000 0.00000 0.00094 44 5PZ 0.00422 0.00202 -0.00187 0.00024 0.00000 45 6D 0 -0.00016 0.00006 0.00001 -0.00000 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00000 0.00000 0.00000 -0.00000 48 6D+2 0.00019 0.00003 -0.00001 0.00000 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00313 0.00114 0.00021 -0.00002 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.00000 0.00000 0.00000 -0.00000 53 7D+2 0.00367 0.00119 0.00031 -0.00002 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.38400 0.00037 0.00000 -0.00000 0.00000 56 2S 0.31598 0.00036 0.00000 0.00000 -0.00000 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.00012 -0.00014 -0.00001 0.00000 -0.00000 59 2PZ -0.00009 0.00019 -0.00001 -0.00000 0.00000 60 3S 0.01471 -0.00058 0.00001 -0.00003 0.00001 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY -0.00029 0.00091 0.00002 -0.00001 0.00000 63 3PZ 0.00057 -0.00146 0.00020 -0.00000 -0.00001 64 4S -0.00784 -0.00030 0.00281 0.00020 -0.00015 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY 0.00792 0.00169 -0.00020 -0.00006 -0.00000 67 4PZ -0.00321 -0.00329 0.00167 0.00008 -0.00012 68 5S -0.02489 0.00419 0.00540 -0.00178 0.00037 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY 0.00252 0.00164 -0.00591 0.00011 0.00048 71 5PZ -0.00457 0.00255 -0.00312 -0.00036 0.00093 72 6D 0 0.00029 -0.00017 -0.00002 -0.00000 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 -0.00006 -0.00008 -0.00001 0.00000 -0.00000 75 6D+2 -0.00057 0.00007 0.00000 0.00000 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.00228 0.00000 0.00061 -0.00001 -0.00001 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.00182 0.00311 0.00053 -0.00006 0.00001 80 7D+2 0.00012 -0.00094 0.00018 -0.00003 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S -0.04985 -0.00877 -0.00000 0.00000 0.00000 83 2S -0.04087 -0.00717 0.00001 -0.00000 -0.00000 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY 0.00001 -0.00056 0.00003 -0.00000 0.00000 86 2PZ -0.00053 0.00047 -0.00004 -0.00000 -0.00000 87 3S -0.00252 0.00012 -0.00021 0.00003 0.00000 88 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 3PY 0.00014 0.00190 -0.00010 -0.00000 -0.00000 90 3PZ 0.00201 -0.00179 0.00030 0.00001 0.00001 91 4S 0.00419 0.00161 -0.00019 -0.00025 0.00016 92 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 4PY -0.00737 -0.00122 -0.00275 0.00009 -0.00001 94 4PZ -0.00101 -0.00467 0.00087 0.00013 -0.00016 95 5S 0.03094 -0.02310 0.00455 0.00120 -0.00030 96 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PY -0.00483 0.00254 0.00323 0.00006 -0.00053 98 5PZ -0.00464 0.00169 -0.00890 -0.00030 0.00092 99 6D 0 -0.00009 -0.00000 0.00001 0.00000 -0.00000 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 -0.00004 0.00000 0.00000 0.00000 -0.00000 102 6D+2 0.00005 0.00008 0.00005 -0.00000 -0.00000 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 -0.00370 0.00030 -0.00085 0.00005 0.00001 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 0.00168 0.00601 0.00046 -0.00009 0.00001 107 7D+2 -0.00086 0.00084 -0.00068 0.00007 0.00000 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 5 C 1S -0.00194 0.56282 0.00000 -0.00000 0.00000 110 2S -0.00155 0.46304 -0.00003 0.00001 0.00000 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 113 2PZ -0.00010 -0.00028 -0.00000 0.00000 0.00000 114 3S -0.00051 0.02331 0.00062 -0.00012 0.00000 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 117 3PZ 0.00086 -0.00220 0.00018 -0.00004 0.00000 118 4S -0.00710 -0.01534 -0.00902 0.00065 0.00000 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY 0.00000 0.00000 0.00000 0.00000 -0.00002 121 4PZ 0.00824 -0.00206 0.00322 0.00019 0.00000 122 5S -0.02769 0.03959 0.02973 0.00111 0.00000 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 5PY 0.00000 0.00000 0.00000 0.00000 -0.00103 125 5PZ 0.00366 -0.00210 0.02375 -0.00002 0.00000 126 6D 0 -0.00001 0.00048 0.00010 -0.00002 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00000 0.00000 0.00000 -0.00000 129 6D+2 0.00020 -0.00083 0.00006 -0.00000 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 -0.00181 -0.00453 -0.00126 0.00022 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.00000 0.00000 0.00000 0.00000 0.00001 134 7D+2 -0.00222 -0.00138 -0.00042 0.00006 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S -0.04985 -0.00877 -0.00000 0.00000 -0.00000 137 2S -0.04087 -0.00717 0.00001 -0.00000 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY -0.00001 0.00056 -0.00003 0.00000 0.00000 140 2PZ -0.00053 0.00047 -0.00004 -0.00000 0.00000 141 3S -0.00252 0.00012 -0.00021 0.00003 -0.00000 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY -0.00014 -0.00190 0.00010 0.00000 -0.00000 144 3PZ 0.00201 -0.00179 0.00030 0.00001 -0.00001 145 4S 0.00419 0.00161 -0.00019 -0.00025 -0.00016 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY 0.00737 0.00122 0.00275 -0.00009 -0.00001 148 4PZ -0.00101 -0.00467 0.00087 0.00013 0.00016 149 5S 0.03094 -0.02310 0.00455 0.00120 0.00030 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY 0.00483 -0.00254 -0.00323 -0.00006 -0.00053 152 5PZ -0.00464 0.00169 -0.00890 -0.00030 -0.00092 153 6D 0 -0.00009 -0.00000 0.00001 0.00000 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00004 -0.00000 -0.00000 -0.00000 -0.00000 156 6D+2 0.00005 0.00008 0.00005 -0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 -0.00370 0.00030 -0.00085 0.00005 -0.00001 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 -0.00168 -0.00601 -0.00046 0.00009 0.00001 161 7D+2 -0.00086 0.00084 -0.00068 0.00007 -0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S -0.00036 -0.00038 -0.00007 0.00001 0.00000 164 2S -0.00011 -0.00227 -0.00036 0.00009 -0.00000 165 3S 0.00318 0.00254 0.00113 -0.00010 -0.00003 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY -0.00001 -0.00085 -0.00004 0.00001 0.00000 168 4PZ 0.00038 -0.00035 0.00008 -0.00001 -0.00000 169 8 Mg 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S 0.00001 -0.00003 -0.00003 0.00001 0.00000 171 3S -0.00006 0.00029 0.00028 -0.00006 0.00000 172 4S 0.00015 -0.00101 -0.00085 0.00014 0.00000 173 5S -0.00197 0.00353 0.00056 -0.00031 0.00000 174 6S 0.00343 0.00763 -0.00791 -0.00040 0.00000 175 7S 0.00045 0.00084 -0.00016 0.00010 0.00000 176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PY 0.00000 0.00000 0.00000 0.00000 0.00005 178 7PZ -0.00006 -0.00035 -0.00051 0.00004 0.00000 179 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 8PZ 0.00003 -0.00004 -0.00003 -0.00001 0.00000 182 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 9PY 0.00000 0.00000 0.00000 0.00000 -0.00000 184 9PZ -0.00012 0.00024 0.00012 0.00004 0.00000 185 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 186 10PY 0.00000 0.00000 0.00000 0.00000 -0.00000 187 10PZ 0.00084 -0.00252 -0.00063 -0.00002 0.00000 188 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 11PY 0.00000 0.00000 0.00000 0.00000 -0.00002 190 11PZ 0.00082 -0.00207 0.01226 0.00034 0.00000 191 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 192 12PY 0.00000 0.00000 0.00000 0.00000 0.00006 193 12PZ 0.00156 0.01333 0.01191 0.00073 0.00000 194 13D 0 -0.00005 0.00152 0.00060 -0.00020 0.00000 195 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 196 13D-1 0.00000 0.00000 0.00000 0.00000 0.00002 197 13D+2 0.00006 0.00001 0.00010 -0.00000 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 -0.00098 0.00538 0.00758 -0.00033 0.00000 200 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 201 14D-1 0.00000 0.00000 0.00000 0.00000 -0.00014 202 14D+2 0.00000 -0.00018 -0.00033 0.00000 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S -0.00000 0.00000 0.05145 0.00013 0.00000 205 2S 0.00000 -0.00000 0.16469 0.00040 0.00000 206 3S -0.00000 0.00002 -0.42147 -0.00105 0.00000 207 4S 0.00000 -0.00005 -0.45545 -0.00117 0.00000 208 5S -0.00001 0.00016 0.66081 0.00201 0.00000 209 6S 0.00002 -0.00028 0.63048 0.00120 0.00000 210 7S -0.00005 0.00104 0.03937 -0.00028 0.00000 211 8S 0.00043 -0.00429 -0.02652 0.00033 0.00000 212 9S -0.00271 -0.01498 -0.00829 -0.00070 0.00000 213 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 214 9PY 0.00000 0.00000 0.00000 0.00000 -0.00016 215 9PZ 0.00090 0.00463 0.00142 0.00008 0.00000 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 -0.05241 218 10PZ -0.00000 0.00000 0.00011 -0.05240 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00000 0.00000 -0.42318 221 11PZ -0.00000 0.00001 0.00089 -0.42307 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00000 0.00000 0.00000 0.87918 224 12PZ 0.00000 -0.00005 -0.00176 0.87882 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 0.00000 0.00000 0.00000 0.24742 227 13PZ -0.00002 0.00028 -0.00075 0.24756 0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 0.00000 0.00000 0.00000 0.03224 230 14PZ 0.00004 -0.00052 -0.00009 0.03257 0.00000 231 15PX 0.00000 0.00000 0.00000 0.00000 0.00000 232 15PY 0.00000 0.00000 0.00000 0.00000 0.00086 233 15PZ -0.00011 0.00062 -0.00052 0.00082 0.00000 234 16PX 0.00000 0.00000 0.00000 0.00000 0.00000 235 16PY 0.00000 0.00000 0.00000 0.00000 0.00036 236 16PZ 0.00011 0.00178 0.00965 0.00024 0.00000 237 17D 0 0.00000 -0.00000 0.00038 -0.00083 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00000 -0.00070 240 17D+2 0.00000 -0.00000 -0.00001 -0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 -0.00001 0.00002 -0.00030 -0.00053 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00000 0.00000 0.00000 -0.00051 245 18D+2 -0.00001 0.00001 0.00001 -0.00000 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00002 -0.00001 0.00099 -0.00000 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00000 0.00000 0.00000 0.00011 250 19D+2 0.00001 -0.00002 -0.00002 0.00000 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 -0.00006 -0.00025 -0.00235 0.00000 0.00000 253 20D+1 0.00000 0.00000 0.00000 0.00000 0.00000 254 20D-1 0.00000 0.00000 0.00000 0.00000 -0.00008 255 20D+2 -0.00001 0.00003 0.00003 -0.00000 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S -0.00036 -0.00038 -0.00007 0.00001 -0.00000 258 2S -0.00011 -0.00227 -0.00036 0.00009 0.00000 259 3S 0.00318 0.00254 0.00113 -0.00010 0.00003 260 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 261 4PY 0.00001 0.00085 0.00004 -0.00001 0.00000 262 4PZ 0.00038 -0.00035 0.00008 -0.00001 0.00000 263 11 H 1S 0.00047 0.00011 0.00002 -0.00000 0.00000 264 2S -0.00297 -0.00049 0.00054 -0.00005 -0.00000 265 3S -0.00098 -0.00154 -0.00038 0.00007 -0.00001 266 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 267 4PY 0.00112 -0.00004 -0.00007 0.00001 0.00000 268 4PZ -0.00043 -0.00048 0.00005 -0.00000 0.00000 269 12 H 1S -0.00056 -0.00009 -0.00000 0.00000 0.00000 270 2S -0.00014 -0.00036 -0.00002 0.00000 0.00000 271 3S 0.00359 0.00092 0.00007 -0.00004 0.00000 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 0.00000 0.00000 -0.00000 274 4PZ -0.00009 -0.00018 0.00005 -0.00000 0.00000 275 13 H 1S 0.00047 0.00011 0.00002 -0.00000 -0.00000 276 2S -0.00297 -0.00049 0.00054 -0.00005 0.00000 277 3S -0.00098 -0.00154 -0.00038 0.00007 0.00001 278 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 4PY -0.00112 0.00004 0.00007 -0.00001 0.00000 280 4PZ -0.00043 -0.00048 0.00005 -0.00000 -0.00000 16 17 18 19 20 (B1)--O (A1)--O (A1)--O (B2)--O (B1)--O Eigenvalues -- -6.47856 -3.13106 -2.59399 -2.59276 -2.59271 1 1 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 2 2S 0.00000 0.00000 -0.00000 -0.00001 0.00000 3 2PX 0.00000 0.00000 0.00000 0.00000 -0.00002 4 2PY 0.00000 -0.00013 -0.00001 -0.00004 0.00000 5 2PZ 0.00000 0.00003 0.00001 0.00017 0.00000 6 3S 0.00000 0.00012 0.00003 0.00053 0.00000 7 3PX -0.00000 0.00000 0.00000 0.00000 0.00010 8 3PY 0.00000 0.00053 0.00006 0.00029 0.00000 9 3PZ 0.00000 -0.00099 -0.00017 -0.00127 0.00000 10 4S 0.00000 -0.03542 0.00077 -0.01629 0.00000 11 4PX 0.00000 0.00000 0.00000 0.00000 0.00011 12 4PY 0.00000 -0.01002 0.00129 -0.00252 0.00000 13 4PZ 0.00000 -0.01365 -0.00080 -0.01050 0.00000 14 5S 0.00000 -0.03521 -0.03416 -0.02080 0.00000 15 5PX 0.00003 0.00000 0.00000 0.00000 -0.00198 16 5PY 0.00000 -0.03507 -0.00198 0.00733 0.00000 17 5PZ 0.00000 0.02018 -0.00814 -0.01637 0.00000 18 6D 0 0.00000 0.00011 0.00001 0.00008 0.00000 19 6D+1 -0.00000 0.00000 0.00000 0.00000 0.00001 20 6D-1 0.00000 -0.00003 -0.00001 0.00003 0.00000 21 6D+2 0.00000 -0.00005 -0.00002 0.00001 0.00000 22 6D-2 -0.00000 0.00000 0.00000 0.00000 0.00002 23 7D 0 0.00000 -0.00357 -0.00039 -0.00152 0.00000 24 7D+1 -0.00000 0.00000 0.00000 0.00000 -0.00000 25 7D-1 0.00000 0.00434 0.00032 0.00008 0.00000 26 7D+2 0.00000 -0.00022 0.00003 -0.00005 0.00000 27 7D-2 -0.00000 0.00000 0.00000 0.00000 -0.00005 28 2 C 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 29 2S 0.00000 -0.00002 -0.00001 0.00000 0.00000 30 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 31 2PY 0.00000 0.00000 0.00000 0.00010 0.00000 32 2PZ 0.00000 0.00003 0.00001 0.00000 0.00000 33 3S 0.00000 0.00013 0.00022 0.00000 0.00000 34 3PX -0.00000 0.00000 0.00000 0.00000 0.00003 35 3PY 0.00000 0.00000 0.00000 -0.00054 0.00000 36 3PZ 0.00000 0.00009 -0.00004 0.00000 0.00000 37 4S 0.00000 0.02624 -0.00189 0.00000 0.00000 38 4PX 0.00000 0.00000 0.00000 0.00000 -0.00005 39 4PY 0.00000 0.00000 0.00000 0.00195 0.00000 40 4PZ 0.00000 0.01397 -0.00084 0.00000 0.00000 41 5S 0.00000 0.13836 0.01220 0.00000 0.00000 42 5PX -0.00002 0.00000 0.00000 0.00000 0.00132 43 5PY 0.00000 0.00000 0.00000 0.01515 0.00000 44 5PZ 0.00000 0.01163 0.00385 0.00000 0.00000 45 6D 0 0.00000 -0.00004 -0.00001 0.00000 0.00000 46 6D+1 -0.00000 0.00000 0.00000 0.00000 0.00001 47 6D-1 0.00000 0.00000 0.00000 0.00007 0.00000 48 6D+2 0.00000 0.00007 -0.00001 0.00000 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00000 -0.00287 -0.00003 0.00000 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 -0.00006 52 7D-1 0.00000 0.00000 0.00000 0.00021 0.00000 53 7D+2 0.00000 -0.00282 -0.00001 0.00000 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 56 2S 0.00000 0.00000 -0.00000 0.00001 0.00000 57 2PX 0.00000 0.00000 0.00000 0.00000 -0.00002 58 2PY 0.00000 0.00013 0.00001 -0.00004 0.00000 59 2PZ 0.00000 0.00003 0.00001 -0.00017 0.00000 60 3S 0.00000 0.00012 0.00003 -0.00053 0.00000 61 3PX -0.00000 0.00000 0.00000 0.00000 0.00010 62 3PY 0.00000 -0.00053 -0.00006 0.00029 0.00000 63 3PZ 0.00000 -0.00099 -0.00017 0.00127 0.00000 64 4S 0.00000 -0.03542 0.00077 0.01629 0.00000 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00011 66 4PY 0.00000 0.01002 -0.00129 -0.00252 0.00000 67 4PZ 0.00000 -0.01365 -0.00080 0.01050 0.00000 68 5S 0.00000 -0.03521 -0.03416 0.02080 0.00000 69 5PX 0.00003 0.00000 0.00000 0.00000 -0.00198 70 5PY 0.00000 0.03507 0.00198 0.00733 0.00000 71 5PZ 0.00000 0.02018 -0.00814 0.01637 0.00000 72 6D 0 0.00000 0.00011 0.00001 -0.00008 0.00000 73 6D+1 -0.00000 0.00000 0.00000 0.00000 0.00001 74 6D-1 0.00000 0.00003 0.00001 0.00003 0.00000 75 6D+2 0.00000 -0.00005 -0.00002 -0.00001 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00002 77 7D 0 0.00000 -0.00357 -0.00039 0.00152 0.00000 78 7D+1 -0.00000 0.00000 0.00000 0.00000 -0.00000 79 7D-1 0.00000 -0.00434 -0.00032 0.00008 0.00000 80 7D+2 0.00000 -0.00022 0.00003 0.00005 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00005 82 4 C 1S 0.00000 -0.00001 -0.00000 -0.00000 0.00000 83 2S 0.00000 -0.00008 -0.00002 -0.00001 0.00000 84 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 85 2PY 0.00000 0.00001 -0.00001 -0.00010 0.00000 86 2PZ 0.00000 -0.00010 0.00003 0.00003 0.00000 87 3S 0.00000 0.00085 0.00025 0.00074 0.00000 88 3PX -0.00000 0.00000 0.00000 0.00000 0.00009 89 3PY 0.00000 -0.00068 0.00003 0.00075 0.00000 90 3PZ 0.00000 0.00019 -0.00026 0.00011 0.00000 91 4S 0.00000 0.01987 -0.00553 -0.03031 0.00000 92 4PX 0.00002 0.00000 0.00000 0.00000 -0.00138 93 4PY 0.00000 0.00454 0.00684 0.00630 0.00000 94 4PZ 0.00000 -0.00978 0.00083 0.00841 0.00000 95 5S 0.00000 0.04731 0.01260 -0.04231 0.00000 96 5PX -0.00004 0.00000 0.00000 0.00000 0.00115 97 5PY 0.00000 -0.03519 0.00358 -0.00715 0.00000 98 5PZ 0.00000 0.03604 -0.00351 0.02168 0.00000 99 6D 0 0.00000 -0.00017 -0.00005 0.00004 0.00000 100 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00001 101 6D-1 0.00000 0.00010 0.00001 -0.00004 0.00000 102 6D+2 0.00000 -0.00018 -0.00007 0.00001 0.00000 103 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00011 104 7D 0 0.00000 0.00636 0.00080 -0.00177 0.00000 105 7D+1 -0.00000 0.00000 0.00000 0.00000 0.00002 106 7D-1 0.00000 -0.00634 -0.00030 0.00073 0.00000 107 7D+2 0.00000 0.00321 0.00058 -0.00013 0.00000 108 7D-2 -0.00001 0.00000 0.00000 0.00000 0.00047 109 5 C 1S 0.00000 -0.00016 -0.00000 0.00000 0.00000 110 2S 0.00000 -0.00028 -0.00006 0.00000 0.00000 111 2PX -0.00000 0.00000 0.00000 0.00000 0.00018 112 2PY 0.00000 0.00000 0.00000 0.00013 0.00000 113 2PZ 0.00000 -0.00013 -0.00016 0.00000 0.00000 114 3S 0.00000 0.00237 0.00056 0.00000 0.00000 115 3PX 0.00001 0.00000 0.00000 0.00000 -0.00090 116 3PY 0.00000 0.00000 0.00000 -0.00066 0.00000 117 3PZ 0.00000 0.00190 0.00099 0.00000 0.00000 118 4S 0.00000 -0.03557 0.00732 0.00000 0.00000 119 4PX -0.00006 0.00000 0.00000 0.00000 0.00579 120 4PY 0.00000 0.00000 0.00000 0.01933 0.00000 121 4PZ 0.00000 -0.03697 -0.01684 0.00000 0.00000 122 5S 0.00000 -0.34531 -0.02620 0.00000 0.00000 123 5PX -0.00001 0.00000 0.00000 0.00000 0.00301 124 5PY 0.00000 0.00000 0.00000 0.01209 0.00000 125 5PZ 0.00000 -0.07491 -0.03727 0.00000 0.00000 126 6D 0 0.00000 -0.00045 0.00006 0.00000 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00019 128 6D-1 0.00000 0.00000 0.00000 0.00003 0.00000 129 6D+2 0.00000 -0.00011 -0.00001 0.00000 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00000 0.00753 0.00009 0.00000 0.00000 132 7D+1 -0.00000 0.00000 0.00000 0.00000 0.00079 133 7D-1 0.00000 0.00000 0.00000 -0.00108 0.00000 134 7D+2 0.00000 0.00474 0.00011 0.00000 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S 0.00000 -0.00001 -0.00000 0.00000 0.00000 137 2S 0.00000 -0.00008 -0.00002 0.00001 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 139 2PY 0.00000 -0.00001 0.00001 -0.00010 0.00000 140 2PZ 0.00000 -0.00010 0.00003 -0.00003 0.00000 141 3S 0.00000 0.00085 0.00025 -0.00074 0.00000 142 3PX -0.00000 0.00000 0.00000 0.00000 0.00009 143 3PY 0.00000 0.00068 -0.00003 0.00075 0.00000 144 3PZ 0.00000 0.00019 -0.00026 -0.00011 0.00000 145 4S 0.00000 0.01987 -0.00553 0.03031 0.00000 146 4PX 0.00002 0.00000 0.00000 0.00000 -0.00138 147 4PY 0.00000 -0.00454 -0.00684 0.00630 0.00000 148 4PZ 0.00000 -0.00978 0.00083 -0.00841 0.00000 149 5S 0.00000 0.04731 0.01260 0.04231 0.00000 150 5PX -0.00004 0.00000 0.00000 0.00000 0.00115 151 5PY 0.00000 0.03519 -0.00358 -0.00715 0.00000 152 5PZ 0.00000 0.03604 -0.00351 -0.02168 0.00000 153 6D 0 0.00000 -0.00017 -0.00005 -0.00004 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00001 155 6D-1 0.00000 -0.00010 -0.00001 -0.00004 0.00000 156 6D+2 0.00000 -0.00018 -0.00007 -0.00001 0.00000 157 6D-2 -0.00000 0.00000 0.00000 0.00000 0.00011 158 7D 0 0.00000 0.00636 0.00080 0.00177 0.00000 159 7D+1 -0.00000 0.00000 0.00000 0.00000 0.00002 160 7D-1 0.00000 0.00634 0.00030 0.00073 0.00000 161 7D+2 0.00000 0.00321 0.00058 0.00013 0.00000 162 7D-2 0.00001 0.00000 0.00000 0.00000 -0.00047 163 7 H 1S 0.00000 0.00038 0.00010 -0.00008 0.00000 164 2S 0.00000 0.00491 -0.00027 0.00161 0.00000 165 3S 0.00000 -0.00411 -0.00293 -0.00159 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00000 -0.00000 167 4PY 0.00000 0.00071 0.00001 0.00008 0.00000 168 4PZ 0.00000 -0.00055 -0.00005 -0.00013 0.00000 169 8 Mg 1S 0.00000 -0.11002 0.00018 0.00000 0.00000 170 2S 0.00000 -0.28450 0.00045 0.00000 0.00000 171 3S 0.00000 0.58826 -0.00092 0.00000 0.00000 172 4S 0.00000 0.52065 -0.00062 0.00000 0.00000 173 5S 0.00000 0.07436 -0.00454 0.00000 0.00000 174 6S 0.00000 0.15493 0.01528 0.00000 0.00000 175 7S 0.00000 -0.00758 -0.00719 0.00000 0.00000 176 7PX 0.00005 0.00000 0.00000 0.00000 0.00049 177 7PY 0.00000 0.00000 0.00000 0.00183 0.00000 178 7PZ 0.00000 0.00738 -0.00295 0.00000 0.00000 179 8PX 0.00000 0.00000 0.00000 0.00000 -0.00009 180 8PY 0.00000 0.00000 0.00000 -0.00007 0.00000 181 8PZ 0.00000 0.00319 0.00048 0.00000 0.00000 182 9PX -0.00000 0.00000 0.00000 0.00000 -0.00007 183 9PY 0.00000 0.00000 0.00000 -0.00019 0.00000 184 9PZ 0.00000 0.00506 0.00056 0.00000 0.00000 185 10PX 0.00001 0.00000 0.00000 0.00000 -0.00051 186 10PY 0.00000 0.00000 0.00000 0.00053 0.00000 187 10PZ 0.00000 0.00447 -0.00340 0.00000 0.00000 188 11PX -0.00004 0.00000 0.00000 0.00000 0.00404 189 11PY 0.00000 0.00000 0.00000 -0.00094 0.00000 190 11PZ 0.00000 -0.03830 -0.03406 0.00000 0.00000 191 12PX 0.00004 0.00000 0.00000 0.00000 -0.00260 192 12PY 0.00000 0.00000 0.00000 -0.01077 0.00000 193 12PZ 0.00000 -0.08798 -0.03041 0.00000 0.00000 194 13D 0 0.00000 0.00086 -0.00073 0.00000 0.00000 195 13D+1 0.00001 0.00000 0.00000 0.00000 0.00052 196 13D-1 0.00000 0.00000 0.00000 0.00029 0.00000 197 13D+2 0.00000 -0.00048 -0.00003 0.00000 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00000 0.03894 -0.00507 0.00000 0.00000 200 14D+1 -0.00011 0.00000 0.00000 0.00000 0.01023 201 14D-1 0.00000 0.00000 0.00000 0.01789 0.00000 202 14D+2 0.00000 0.00102 0.00003 0.00000 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 -0.00002 -0.00005 0.00000 0.00000 205 2S 0.00000 -0.00006 -0.00015 0.00000 0.00000 206 3S 0.00000 0.00021 0.00029 0.00000 0.00000 207 4S 0.00000 -0.00013 0.00097 0.00000 0.00000 208 5S 0.00000 0.00065 -0.00244 0.00000 0.00000 209 6S 0.00000 -0.00207 0.00194 0.00000 0.00000 210 7S 0.00000 0.00773 -0.00808 0.00000 0.00000 211 8S 0.00000 -0.02908 0.02227 0.00000 0.00000 212 9S 0.00000 0.03204 0.04496 0.00000 0.00000 213 9PX -0.00014 0.00000 0.00000 0.00000 -0.00051 214 9PY 0.00000 0.00000 0.00000 0.00101 0.00000 215 9PZ 0.00000 -0.00986 -0.01008 0.00000 0.00000 216 10PX -0.05241 0.00000 0.00000 0.00000 -0.00006 217 10PY 0.00000 0.00000 0.00000 -0.00006 0.00000 218 10PZ 0.00000 -0.00002 -0.00008 0.00000 0.00000 219 11PX -0.42318 0.00000 0.00000 0.00000 -0.00051 220 11PY 0.00000 0.00000 0.00000 -0.00050 0.00000 221 11PZ 0.00000 -0.00012 -0.00067 0.00000 0.00000 222 12PX 0.87919 0.00000 0.00000 0.00000 0.00113 223 12PY 0.00000 0.00000 0.00000 0.00112 0.00000 224 12PZ 0.00000 0.00022 0.00151 0.00000 0.00000 225 13PX 0.24742 0.00000 0.00000 0.00000 0.00080 226 13PY 0.00000 0.00000 0.00000 0.00086 0.00000 227 13PZ 0.00000 0.00077 0.00091 0.00000 0.00000 228 14PX 0.03224 0.00000 0.00000 0.00000 -0.00159 229 14PY 0.00000 0.00000 0.00000 -0.00174 0.00000 230 14PZ 0.00000 -0.00158 -0.00181 0.00000 0.00000 231 15PX 0.00087 0.00000 0.00000 0.00000 0.00236 232 15PY 0.00000 0.00000 0.00000 0.00277 0.00000 233 15PZ 0.00000 0.00234 0.00358 0.00000 0.00000 234 16PX 0.00033 0.00000 0.00000 0.00000 -0.00790 235 16PY 0.00000 0.00000 0.00000 -0.01057 0.00000 236 16PZ 0.00000 0.01233 -0.02541 0.00000 0.00000 237 17D 0 0.00000 0.00058 0.80994 0.00000 0.00000 238 17D+1 -0.00070 0.00000 0.00000 0.00000 0.81023 239 17D-1 0.00000 0.00000 0.00000 0.81018 0.00000 240 17D+2 0.00000 0.00000 0.00487 0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 0.00011 0.28262 0.00000 0.00000 243 18D+1 -0.00051 0.00000 0.00000 0.00000 0.28178 244 18D-1 0.00000 0.00000 0.00000 0.28207 0.00000 245 18D+2 0.00000 -0.00001 0.00169 0.00000 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00024 0.04211 0.00000 0.00000 248 19D+1 0.00011 0.00000 0.00000 0.00000 0.04344 249 19D-1 0.00000 0.00000 0.00000 0.04294 0.00000 250 19D+2 0.00000 0.00002 0.00027 0.00000 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00000 -0.00193 0.02611 0.00000 0.00000 253 20D+1 -0.00008 0.00000 0.00000 0.00000 0.02156 254 20D-1 0.00000 0.00000 0.00000 0.02279 0.00000 255 20D+2 0.00000 -0.00005 0.00010 0.00000 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.00000 0.00038 0.00010 0.00008 0.00000 258 2S 0.00000 0.00491 -0.00027 -0.00161 0.00000 259 3S 0.00000 -0.00411 -0.00293 0.00159 0.00000 260 4PX 0.00000 0.00000 0.00000 0.00000 -0.00000 261 4PY 0.00000 -0.00071 -0.00001 0.00008 0.00000 262 4PZ 0.00000 -0.00055 -0.00005 0.00013 0.00000 263 11 H 1S 0.00000 -0.00012 0.00001 0.00000 0.00000 264 2S 0.00000 -0.00290 -0.00026 0.00039 0.00000 265 3S 0.00000 -0.00401 0.00123 0.00218 0.00000 266 4PX -0.00000 0.00000 0.00000 0.00000 0.00001 267 4PY 0.00000 0.00035 0.00005 -0.00005 0.00000 268 4PZ 0.00000 -0.00005 -0.00001 -0.00004 0.00000 269 12 H 1S 0.00000 -0.00007 0.00001 0.00000 0.00000 270 2S 0.00000 0.00334 -0.00014 0.00000 0.00000 271 3S 0.00000 0.00005 -0.00011 0.00000 0.00000 272 4PX 0.00000 0.00000 0.00000 0.00000 -0.00001 273 4PY 0.00000 0.00000 0.00000 0.00013 0.00000 274 4PZ 0.00000 0.00019 -0.00003 0.00000 0.00000 275 13 H 1S 0.00000 -0.00012 0.00001 -0.00000 0.00000 276 2S 0.00000 -0.00290 -0.00026 -0.00039 0.00000 277 3S 0.00000 -0.00401 0.00123 -0.00218 0.00000 278 4PX -0.00000 0.00000 0.00000 0.00000 0.00001 279 4PY 0.00000 -0.00035 -0.00005 -0.00005 0.00000 280 4PZ 0.00000 -0.00005 -0.00001 0.00004 0.00000 21 22 23 24 25 (A1)--O (A2)--O (B2)--O (B1)--O (A1)--O Eigenvalues -- -2.58949 -2.58949 -1.87902 -1.87844 -1.87162 1 1 C 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 2 2S 0.00001 0.00000 -0.00001 0.00000 -0.00003 3 2PX 0.00000 0.00000 0.00000 -0.00002 0.00000 4 2PY 0.00001 0.00000 0.00002 0.00000 0.00004 5 2PZ 0.00002 0.00000 0.00001 0.00000 0.00002 6 3S -0.00002 0.00000 0.00018 0.00000 0.00077 7 3PX 0.00000 -0.00002 0.00000 0.00011 0.00000 8 3PY -0.00011 0.00000 -0.00015 0.00000 -0.00029 9 3PZ -0.00016 0.00000 -0.00002 0.00000 0.00006 10 4S -0.00497 0.00000 -0.00425 0.00000 -0.01116 11 4PX 0.00000 -0.00001 0.00000 -0.00027 0.00000 12 4PY 0.00071 0.00000 0.00261 0.00000 -0.00330 13 4PZ -0.00234 0.00000 -0.00563 0.00000 -0.00505 14 5S 0.00748 0.00000 -0.00592 0.00000 -0.11286 15 5PX 0.00000 0.00117 0.00000 0.00269 0.00000 16 5PY 0.01206 0.00000 -0.04101 0.00000 -0.01267 17 5PZ -0.00807 0.00000 0.04544 0.00000 -0.01806 18 6D 0 0.00002 0.00000 0.00004 0.00000 0.00004 19 6D+1 0.00000 -0.00001 0.00000 0.00001 0.00000 20 6D-1 -0.00001 0.00000 0.00000 0.00000 -0.00000 21 6D+2 -0.00000 0.00000 0.00002 0.00000 0.00001 22 6D-2 0.00000 0.00000 0.00000 0.00001 0.00000 23 7D 0 -0.00044 0.00000 -0.00051 0.00000 -0.00050 24 7D+1 0.00000 0.00002 0.00000 0.00003 0.00000 25 7D-1 0.00018 0.00000 -0.00001 0.00000 -0.00047 26 7D+2 -0.00002 0.00000 -0.00032 0.00000 -0.00000 27 7D-2 0.00000 -0.00001 0.00000 -0.00005 0.00000 28 2 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 29 2S 0.00001 0.00000 0.00000 0.00000 0.00000 30 2PX 0.00000 0.00000 0.00000 -0.00000 0.00000 31 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 32 2PZ 0.00001 0.00000 0.00000 0.00000 -0.00003 33 3S -0.00011 0.00000 0.00000 0.00000 -0.00020 34 3PX 0.00000 0.00000 0.00000 0.00001 0.00000 35 3PY 0.00000 0.00000 0.00012 0.00000 0.00000 36 3PZ -0.00008 0.00000 0.00000 0.00000 0.00016 37 4S 0.00004 0.00000 0.00000 0.00000 0.00433 38 4PX 0.00000 0.00000 0.00000 0.00020 0.00000 39 4PY 0.00000 0.00000 0.00316 0.00000 0.00000 40 4PZ 0.00121 0.00000 0.00000 0.00000 0.00232 41 5S -0.05201 0.00000 0.00000 0.00000 0.06669 42 5PX 0.00000 0.00000 0.00000 -0.00203 0.00000 43 5PY 0.00000 0.00000 -0.05289 0.00000 0.00000 44 5PZ -0.00557 0.00000 0.00000 0.00000 0.01384 45 6D 0 0.00000 0.00000 0.00000 0.00000 0.00002 46 6D+1 0.00000 0.00000 0.00000 -0.00000 0.00000 47 6D-1 0.00000 0.00000 0.00002 0.00000 0.00000 48 6D+2 0.00001 0.00000 0.00000 0.00000 0.00000 49 6D-2 0.00000 -0.00001 0.00000 0.00000 0.00000 50 7D 0 -0.00030 0.00000 0.00000 0.00000 -0.00012 51 7D+1 0.00000 0.00000 0.00000 0.00004 0.00000 52 7D-1 0.00000 0.00000 0.00007 0.00000 0.00000 53 7D+2 -0.00027 0.00000 0.00000 0.00000 -0.00012 54 7D-2 0.00000 0.00002 0.00000 0.00000 0.00000 55 3 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 56 2S 0.00001 0.00000 0.00001 0.00000 -0.00003 57 2PX 0.00000 -0.00000 0.00000 -0.00002 0.00000 58 2PY -0.00001 0.00000 0.00002 0.00000 -0.00004 59 2PZ 0.00002 0.00000 -0.00001 0.00000 0.00002 60 3S -0.00002 0.00000 -0.00018 0.00000 0.00077 61 3PX 0.00000 0.00002 0.00000 0.00011 0.00000 62 3PY 0.00011 0.00000 -0.00015 0.00000 0.00029 63 3PZ -0.00016 0.00000 0.00002 0.00000 0.00006 64 4S -0.00497 0.00000 0.00425 0.00000 -0.01116 65 4PX 0.00000 0.00001 0.00000 -0.00027 0.00000 66 4PY -0.00071 0.00000 0.00261 0.00000 0.00330 67 4PZ -0.00234 0.00000 0.00563 0.00000 -0.00505 68 5S 0.00748 0.00000 0.00592 0.00000 -0.11286 69 5PX 0.00000 -0.00117 0.00000 0.00269 0.00000 70 5PY -0.01206 0.00000 -0.04101 0.00000 0.01267 71 5PZ -0.00807 0.00000 -0.04544 0.00000 -0.01806 72 6D 0 0.00002 0.00000 -0.00004 0.00000 0.00004 73 6D+1 0.00000 0.00001 0.00000 0.00001 0.00000 74 6D-1 0.00001 0.00000 0.00000 0.00000 0.00000 75 6D+2 -0.00000 0.00000 -0.00002 0.00000 0.00001 76 6D-2 0.00000 0.00000 0.00000 -0.00001 0.00000 77 7D 0 -0.00044 0.00000 0.00051 0.00000 -0.00050 78 7D+1 0.00000 -0.00002 0.00000 0.00003 0.00000 79 7D-1 -0.00018 0.00000 -0.00001 0.00000 0.00047 80 7D+2 -0.00002 0.00000 0.00032 0.00000 -0.00000 81 7D-2 0.00000 -0.00001 0.00000 0.00005 0.00000 82 4 C 1S -0.00000 0.00000 -0.00002 0.00000 0.00004 83 2S -0.00000 0.00000 -0.00000 0.00000 0.00009 84 2PX 0.00000 0.00001 0.00000 0.00003 0.00000 85 2PY 0.00001 0.00000 -0.00003 0.00000 0.00001 86 2PZ 0.00001 0.00000 0.00001 0.00000 -0.00000 87 3S 0.00011 0.00000 -0.00049 0.00000 -0.00065 88 3PX 0.00000 -0.00007 0.00000 -0.00010 0.00000 89 3PY -0.00007 0.00000 0.00013 0.00000 0.00036 90 3PZ -0.00011 0.00000 0.00023 0.00000 -0.00062 91 4S 0.00096 0.00000 0.00205 0.00000 0.01424 92 4PX 0.00000 -0.00011 0.00000 0.00027 0.00000 93 4PY 0.00279 0.00000 -0.00387 0.00000 -0.00776 94 4PZ -0.00419 0.00000 0.00805 0.00000 -0.00692 95 5S -0.02716 0.00000 -0.30712 0.00000 0.10187 96 5PX 0.00000 0.00172 0.00000 -0.00377 0.00000 97 5PY 0.01632 0.00000 0.08646 0.00000 -0.01071 98 5PZ -0.01923 0.00000 -0.11342 0.00000 -0.02008 99 6D 0 -0.00001 0.00000 -0.00001 0.00000 0.00004 100 6D+1 0.00000 -0.00002 0.00000 -0.00003 0.00000 101 6D-1 -0.00002 0.00000 0.00001 0.00000 0.00002 102 6D+2 -0.00003 0.00000 0.00003 0.00000 0.00006 103 6D-2 0.00000 0.00001 0.00000 -0.00001 0.00000 104 7D 0 0.00054 0.00000 -0.00019 0.00000 -0.00110 105 7D+1 0.00000 0.00002 0.00000 0.00017 0.00000 106 7D-1 -0.00001 0.00000 -0.00008 0.00000 0.00131 107 7D+2 0.00047 0.00000 -0.00061 0.00000 -0.00095 108 7D-2 0.00000 0.00004 0.00000 0.00010 0.00000 109 5 C 1S -0.00000 0.00000 0.00000 0.00000 0.00099 110 2S -0.00001 0.00000 0.00000 0.00000 0.00144 111 2PX 0.00000 0.00000 0.00000 0.00019 0.00000 112 2PY 0.00000 0.00000 0.00018 0.00000 0.00000 113 2PZ 0.00004 0.00000 0.00000 0.00000 -0.00133 114 3S 0.00006 0.00000 0.00000 0.00000 -0.00237 115 3PX 0.00000 0.00000 0.00000 0.00029 0.00000 116 3PY 0.00000 0.00000 0.00024 0.00000 0.00000 117 3PZ -0.00035 0.00000 0.00000 0.00000 -0.00309 118 4S 0.00569 0.00000 0.00000 0.00000 -0.01498 119 4PX 0.00000 0.00000 0.00000 0.00042 0.00000 120 4PY 0.00000 0.00000 -0.00836 0.00000 0.00000 121 4PZ -0.00256 0.00000 0.00000 0.00000 0.01361 122 5S 0.09410 0.00000 0.00000 0.00000 -0.10099 123 5PX 0.00000 0.00000 0.00000 0.00343 0.00000 124 5PY 0.00000 0.00000 0.25602 0.00000 0.00000 125 5PZ 0.00194 0.00000 0.00000 0.00000 -0.01899 126 6D 0 -0.00002 0.00000 0.00000 0.00000 -0.00056 127 6D+1 0.00000 0.00000 0.00000 0.00017 0.00000 128 6D-1 0.00000 0.00000 0.00015 0.00000 0.00000 129 6D+2 0.00001 0.00000 0.00000 0.00000 0.00007 130 6D-2 0.00000 -0.00005 0.00000 0.00000 0.00000 131 7D 0 0.00034 0.00000 0.00000 0.00000 -0.00273 132 7D+1 0.00000 0.00000 0.00000 -0.00008 0.00000 133 7D-1 0.00000 0.00000 0.00050 0.00000 0.00000 134 7D+2 -0.00010 0.00000 0.00000 0.00000 -0.00121 135 7D-2 0.00000 0.00029 0.00000 0.00000 0.00000 136 6 C 1S -0.00000 0.00000 0.00002 0.00000 0.00004 137 2S -0.00000 0.00000 0.00000 0.00000 0.00009 138 2PX 0.00000 -0.00001 0.00000 0.00003 0.00000 139 2PY -0.00001 0.00000 -0.00003 0.00000 -0.00001 140 2PZ 0.00001 0.00000 -0.00001 0.00000 -0.00000 141 3S 0.00011 0.00000 0.00049 0.00000 -0.00065 142 3PX 0.00000 0.00007 0.00000 -0.00010 0.00000 143 3PY 0.00007 0.00000 0.00013 0.00000 -0.00036 144 3PZ -0.00011 0.00000 -0.00023 0.00000 -0.00062 145 4S 0.00096 0.00000 -0.00205 0.00000 0.01424 146 4PX 0.00000 0.00011 0.00000 0.00027 0.00000 147 4PY -0.00279 0.00000 -0.00387 0.00000 0.00776 148 4PZ -0.00419 0.00000 -0.00805 0.00000 -0.00692 149 5S -0.02716 0.00000 0.30712 0.00000 0.10187 150 5PX 0.00000 -0.00172 0.00000 -0.00377 0.00000 151 5PY -0.01632 0.00000 0.08646 0.00000 0.01071 152 5PZ -0.01923 0.00000 0.11342 0.00000 -0.02008 153 6D 0 -0.00001 0.00000 0.00001 0.00000 0.00004 154 6D+1 0.00000 0.00002 0.00000 -0.00003 0.00000 155 6D-1 0.00002 0.00000 0.00001 0.00000 -0.00002 156 6D+2 -0.00003 0.00000 -0.00003 0.00000 0.00006 157 6D-2 0.00000 0.00001 0.00000 0.00001 0.00000 158 7D 0 0.00054 0.00000 0.00019 0.00000 -0.00110 159 7D+1 0.00000 -0.00002 0.00000 0.00017 0.00000 160 7D-1 0.00001 0.00000 -0.00008 0.00000 -0.00131 161 7D+2 0.00047 0.00000 0.00061 0.00000 -0.00095 162 7D-2 0.00000 0.00004 0.00000 -0.00010 0.00000 163 7 H 1S -0.00004 0.00000 -0.00008 0.00000 -0.00016 164 2S 0.00064 0.00000 0.00154 0.00000 -0.00018 165 3S -0.00125 0.00000 -0.00368 0.00000 0.00371 166 4PX 0.00000 0.00001 0.00000 -0.00004 0.00000 167 4PY 0.00007 0.00000 0.00010 0.00000 -0.00016 168 4PZ 0.00000 0.00000 -0.00002 0.00000 0.00023 169 8 Mg 1S -0.00000 0.00000 0.00000 0.00000 0.00094 170 2S -0.00000 0.00000 0.00000 0.00000 0.00247 171 3S -0.00001 0.00000 0.00000 0.00000 -0.00574 172 4S 0.00008 0.00000 0.00000 0.00000 -0.00400 173 5S -0.00321 0.00000 0.00000 0.00000 0.00060 174 6S -0.00201 0.00000 0.00000 0.00000 0.05690 175 7S -0.00028 0.00000 0.00000 0.00000 -0.00134 176 7PX 0.00000 0.00000 0.00000 -0.00248 0.00000 177 7PY 0.00000 0.00000 -0.00060 0.00000 0.00000 178 7PZ 0.00062 0.00000 0.00000 0.00000 -0.00012 179 8PX 0.00000 0.00000 0.00000 0.47103 0.00000 180 8PY 0.00000 0.00000 0.47095 0.00000 0.00000 181 8PZ 0.00000 0.00000 0.00000 0.00000 0.47182 182 9PX 0.00000 0.00000 0.00000 0.64220 0.00000 183 9PY 0.00000 0.00000 0.64188 0.00000 0.00000 184 9PZ -0.00004 0.00000 0.00000 0.00000 0.63993 185 10PX 0.00000 0.00000 0.00000 0.05236 0.00000 186 10PY 0.00000 0.00000 0.05531 0.00000 0.00000 187 10PZ 0.00038 0.00000 0.00000 0.00000 0.05766 188 11PX 0.00000 0.00000 0.00000 -0.01669 0.00000 189 11PY 0.00000 0.00000 -0.02608 0.00000 0.00000 190 11PZ 0.00016 0.00000 0.00000 0.00000 -0.02429 191 12PX 0.00000 0.00000 0.00000 0.00874 0.00000 192 12PY 0.00000 0.00000 -0.00231 0.00000 0.00000 193 12PZ -0.00506 0.00000 0.00000 0.00000 -0.00953 194 13D 0 -0.00012 0.00000 0.00000 0.00000 0.00292 195 13D+1 0.00000 0.00000 0.00000 0.00149 0.00000 196 13D-1 0.00000 0.00000 0.00088 0.00000 0.00000 197 13D+2 0.00045 0.00000 0.00000 0.00000 0.00010 198 13D-2 0.00000 0.00026 0.00000 0.00000 0.00000 199 14D 0 0.00220 0.00000 0.00000 0.00000 0.00012 200 14D+1 0.00000 0.00000 0.00000 -0.00060 0.00000 201 14D-1 0.00000 0.00000 0.00326 0.00000 0.00000 202 14D+2 -0.00334 0.00000 0.00000 0.00000 -0.00035 203 14D-2 0.00000 -0.00202 0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 0.00000 0.00000 0.00000 -0.00010 205 2S 0.00000 0.00000 0.00000 0.00000 -0.00032 206 3S -0.00000 0.00000 0.00000 0.00000 0.00087 207 4S -0.00002 0.00000 0.00000 0.00000 0.00099 208 5S 0.00006 0.00000 0.00000 0.00000 -0.00179 209 6S -0.00008 0.00000 0.00000 0.00000 -0.00263 210 7S 0.00033 0.00000 0.00000 0.00000 0.00453 211 8S -0.00157 0.00000 0.00000 0.00000 0.00274 212 9S 0.00369 0.00000 0.00000 0.00000 -0.00408 213 9PX 0.00000 0.00000 0.00000 -0.00102 0.00000 214 9PY 0.00000 0.00000 0.00006 0.00000 0.00000 215 9PZ -0.00136 0.00000 0.00000 0.00000 0.00253 216 10PX 0.00000 0.00000 0.00000 0.00001 0.00000 217 10PY 0.00000 0.00000 0.00001 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00000 0.00000 -0.00010 219 11PX 0.00000 0.00000 0.00000 0.00010 0.00000 220 11PY 0.00000 0.00000 0.00010 0.00000 0.00000 221 11PZ 0.00000 0.00000 0.00000 0.00000 -0.00083 222 12PX 0.00000 0.00000 0.00000 -0.00024 0.00000 223 12PY 0.00000 0.00000 -0.00024 0.00000 0.00000 224 12PZ -0.00001 0.00000 0.00000 0.00000 0.00197 225 13PX 0.00000 0.00000 0.00000 -0.00019 0.00000 226 13PY 0.00000 0.00000 -0.00017 0.00000 0.00000 227 13PZ 0.00002 0.00000 0.00000 0.00000 0.00150 228 14PX 0.00000 0.00000 0.00000 0.00031 0.00000 229 14PY 0.00000 0.00000 0.00027 0.00000 0.00000 230 14PZ -0.00005 0.00000 0.00000 0.00000 -0.00244 231 15PX 0.00000 0.00000 0.00000 0.00021 0.00000 232 15PY 0.00000 0.00000 0.00031 0.00000 0.00000 233 15PZ 0.00009 0.00000 0.00000 0.00000 -0.00161 234 16PX 0.00000 0.00000 0.00000 0.00099 0.00000 235 16PY 0.00000 0.00000 0.00035 0.00000 0.00000 236 16PZ 0.00071 0.00000 0.00000 0.00000 -0.00007 237 17D 0 -0.00487 0.00000 0.00000 0.00000 -0.00282 238 17D+1 0.00000 0.00000 0.00000 0.00058 0.00000 239 17D-1 0.00000 0.00000 0.00056 0.00000 0.00000 240 17D+2 0.81065 0.00000 0.00000 0.00000 -0.00000 241 17D-2 0.00000 0.81068 0.00000 0.00000 0.00000 242 18D 0 -0.00169 0.00000 0.00000 0.00000 -0.00177 243 18D+1 0.00000 0.00000 0.00000 0.00031 0.00000 244 18D-1 0.00000 0.00000 0.00037 0.00000 0.00000 245 18D+2 0.28062 0.00000 0.00000 0.00000 0.00001 246 18D-2 0.00000 0.28057 0.00000 0.00000 0.00000 247 19D 0 -0.00025 0.00000 0.00000 0.00000 0.00172 248 19D+1 0.00000 0.00000 0.00000 -0.00026 0.00000 249 19D-1 0.00000 0.00000 -0.00038 0.00000 0.00000 250 19D+2 0.04490 0.00000 0.00000 0.00000 -0.00001 251 19D-2 0.00000 0.04500 0.00000 0.00000 0.00000 252 20D 0 -0.00019 0.00000 0.00000 0.00000 -0.00147 253 20D+1 0.00000 0.00000 0.00000 -0.00023 0.00000 254 20D-1 0.00000 0.00000 0.00005 0.00000 0.00000 255 20D+2 0.01741 0.00000 0.00000 0.00000 0.00002 256 20D-2 0.00000 0.01723 0.00000 0.00000 0.00000 257 10 H 1S -0.00004 0.00000 0.00008 0.00000 -0.00016 258 2S 0.00064 0.00000 -0.00154 0.00000 -0.00018 259 3S -0.00125 0.00000 0.00368 0.00000 0.00371 260 4PX 0.00000 -0.00001 0.00000 -0.00004 0.00000 261 4PY -0.00007 0.00000 0.00010 0.00000 0.00016 262 4PZ 0.00000 0.00000 0.00002 0.00000 0.00023 263 11 H 1S -0.00006 0.00000 0.00001 0.00000 0.00003 264 2S 0.00031 0.00000 0.00022 0.00000 -0.00020 265 3S -0.00054 0.00000 -0.00125 0.00000 -0.00043 266 4PX 0.00000 0.00001 0.00000 -0.00000 0.00000 267 4PY 0.00001 0.00000 -0.00005 0.00000 -0.00005 268 4PZ -0.00001 0.00000 -0.00000 0.00000 -0.00005 269 12 H 1S -0.00002 0.00000 0.00000 0.00000 0.00000 270 2S 0.00051 0.00000 0.00000 0.00000 0.00027 271 3S 0.00028 0.00000 0.00000 0.00000 0.00016 272 4PX 0.00000 0.00000 0.00000 -0.00000 0.00000 273 4PY 0.00000 0.00000 -0.00001 0.00000 0.00000 274 4PZ 0.00003 0.00000 0.00000 0.00000 0.00001 275 13 H 1S -0.00006 0.00000 -0.00001 0.00000 0.00003 276 2S 0.00031 0.00000 -0.00022 0.00000 -0.00020 277 3S -0.00054 0.00000 0.00125 0.00000 -0.00043 278 4PX 0.00000 -0.00001 0.00000 -0.00000 0.00000 279 4PY -0.00001 0.00000 -0.00005 0.00000 0.00005 280 4PZ -0.00001 0.00000 0.00000 0.00000 -0.00005 26 27 28 29 30 (A1)--O (B2)--O (A1)--O (A1)--O (B2)--O Eigenvalues -- -0.85564 -0.75003 -0.74176 -0.73890 -0.60564 1 1 C 1S -0.05443 -0.06340 -0.03058 -0.00757 -0.04834 2 2S -0.08407 -0.09859 -0.04757 -0.01180 -0.07597 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY 0.02700 -0.00497 0.02762 0.00712 0.00319 5 2PZ 0.01331 0.02742 -0.04193 -0.01109 -0.05758 6 3S 0.21754 0.26001 0.12562 0.03245 0.20947 7 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 3PY 0.03858 -0.00170 0.04024 0.01010 0.00893 9 3PZ 0.01932 0.04062 -0.05608 -0.01491 -0.07825 10 4S 0.09989 0.12455 0.07348 0.00131 0.09620 11 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 12 4PY 0.00627 -0.00763 0.02018 0.00026 -0.00927 13 4PZ 0.00247 0.01895 -0.02325 -0.01539 -0.04417 14 5S 0.06196 0.07691 0.10688 -0.02095 -0.08819 15 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 5PY -0.01107 0.00486 0.01347 -0.02304 -0.01670 17 5PZ 0.02071 -0.01266 0.01439 0.01241 -0.03162 18 6D 0 0.00369 0.00673 -0.00225 -0.00057 -0.00095 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 -0.00186 -0.00105 -0.00420 -0.00106 -0.00173 21 6D+2 -0.00489 -0.00338 -0.00473 -0.00123 -0.00521 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 7D 0 0.00196 0.00693 -0.00125 -0.00096 0.00003 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 0.00076 -0.00346 -0.00891 -0.00389 -0.00587 26 7D+2 -0.00513 0.00148 -0.00225 0.00029 0.00412 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 C 1S -0.05582 0.00000 -0.07047 -0.01808 0.00000 29 2S -0.08622 0.00000 -0.10966 -0.02814 0.00000 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY 0.00000 -0.05405 0.00000 0.00000 -0.09888 32 2PZ 0.03090 0.00000 0.00794 0.00171 0.00000 33 3S 0.22327 0.00000 0.29034 0.07435 0.00000 34 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 35 3PY 0.00000 -0.07409 0.00000 0.00000 -0.13826 36 3PZ 0.04447 0.00000 0.01760 0.00470 0.00000 37 4S 0.10408 0.00000 0.12031 0.03718 0.00000 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY 0.00000 -0.03606 0.00000 0.00000 -0.05475 40 4PZ 0.00717 0.00000 -0.00756 0.00284 0.00000 41 5S 0.01393 0.00000 -0.09958 0.07525 0.00000 42 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 5PY 0.00000 0.03255 0.00000 0.00000 0.01970 44 5PZ -0.01081 0.00000 -0.02951 0.00236 0.00000 45 6D 0 0.00144 0.00000 0.00065 0.00017 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 -0.00642 0.00000 0.00000 -0.00766 48 6D+2 -0.00637 0.00000 -0.00767 -0.00197 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00292 0.00000 -0.00384 -0.00031 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00000 -0.00748 0.00000 0.00000 -0.00161 53 7D+2 -0.00458 0.00000 -0.00361 -0.00068 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S -0.05443 0.06340 -0.03058 -0.00757 0.04834 56 2S -0.08407 0.09859 -0.04757 -0.01180 0.07597 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY -0.02700 -0.00497 -0.02762 -0.00712 0.00319 59 2PZ 0.01331 -0.02742 -0.04193 -0.01109 0.05758 60 3S 0.21754 -0.26001 0.12562 0.03245 -0.20947 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY -0.03858 -0.00170 -0.04024 -0.01010 0.00893 63 3PZ 0.01932 -0.04062 -0.05608 -0.01491 0.07825 64 4S 0.09989 -0.12455 0.07348 0.00131 -0.09620 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY -0.00627 -0.00763 -0.02018 -0.00026 -0.00927 67 4PZ 0.00247 -0.01895 -0.02325 -0.01539 0.04417 68 5S 0.06196 -0.07691 0.10688 -0.02095 0.08819 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY 0.01107 0.00486 -0.01347 0.02304 -0.01670 71 5PZ 0.02071 0.01266 0.01439 0.01241 0.03162 72 6D 0 0.00369 -0.00673 -0.00225 -0.00057 0.00095 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00186 -0.00105 0.00420 0.00106 -0.00173 75 6D+2 -0.00489 0.00338 -0.00473 -0.00123 0.00521 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.00196 -0.00693 -0.00125 -0.00096 -0.00003 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 -0.00076 -0.00346 0.00891 0.00389 -0.00587 80 7D+2 -0.00513 -0.00148 -0.00225 0.00029 -0.00412 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S -0.05038 0.06172 0.04184 0.01103 -0.04986 83 2S -0.07777 0.09596 0.06509 0.01717 -0.07832 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY -0.02219 -0.00773 0.02639 0.00682 0.00400 86 2PZ -0.01740 0.02934 -0.03162 -0.00766 0.05204 87 3S 0.20109 -0.25373 -0.17256 -0.04638 0.21566 88 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 3PY -0.03157 -0.00493 0.03984 0.01028 -0.00013 90 3PZ -0.02445 0.04298 -0.04195 -0.01089 0.07029 91 4S 0.10183 -0.10986 -0.09623 -0.01161 0.09886 92 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 4PY -0.00844 -0.01197 0.01930 0.00353 0.01362 94 4PZ -0.00571 0.01309 -0.01982 -0.01371 0.04227 95 5S -0.06132 0.05697 -0.12523 0.01967 -0.05886 96 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PY -0.00600 -0.01871 0.01718 -0.02253 0.01426 98 5PZ 0.02600 -0.02083 0.00421 0.01839 0.04627 99 6D 0 0.00399 -0.00678 0.00096 0.00020 -0.00063 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 -0.00134 0.00091 0.00393 0.00096 -0.00152 102 6D+2 -0.00415 0.00312 0.00530 0.00138 -0.00502 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 0.00209 -0.00650 0.00047 -0.00053 0.00037 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 0.00116 0.00379 0.01015 0.00491 -0.00610 107 7D+2 -0.00458 -0.00180 0.00121 -0.00111 0.00395 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 5 C 1S -0.04375 0.00000 0.06593 0.01650 0.00000 110 2S -0.06739 0.00000 0.10245 0.02546 0.00000 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY 0.00000 -0.04695 0.00000 0.00000 0.08948 113 2PZ -0.03271 0.00000 0.03073 0.00890 0.00000 114 3S 0.17136 0.00000 -0.26615 -0.06211 0.00000 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY 0.00000 -0.06360 0.00000 0.00000 0.12289 117 3PZ -0.04716 0.00000 0.04470 0.01441 0.00000 118 4S 0.09166 0.00000 -0.13416 -0.06405 0.00000 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY 0.00000 -0.03779 0.00000 0.00000 0.05930 121 4PZ 0.00845 0.00000 -0.00710 -0.01974 0.00000 122 5S -0.06750 0.00000 0.25327 -0.19958 0.00000 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 5PY 0.00000 -0.01007 0.00000 0.00000 -0.03736 125 5PZ -0.00948 0.00000 0.01378 -0.05782 0.00000 126 6D 0 0.00083 0.00000 0.00080 0.00082 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00620 0.00000 0.00000 -0.00817 129 6D+2 -0.00510 0.00000 0.00759 0.00204 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00551 0.00000 -0.00548 -0.00790 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.00000 0.00716 0.00000 0.00000 -0.00179 134 7D+2 -0.00342 0.00000 0.00357 -0.00071 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S -0.05038 -0.06172 0.04184 0.01103 0.04986 137 2S -0.07777 -0.09596 0.06509 0.01717 0.07832 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY 0.02219 -0.00773 -0.02639 -0.00682 0.00400 140 2PZ -0.01740 -0.02934 -0.03162 -0.00766 -0.05204 141 3S 0.20109 0.25373 -0.17256 -0.04638 -0.21566 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY 0.03157 -0.00493 -0.03984 -0.01028 -0.00013 144 3PZ -0.02445 -0.04298 -0.04195 -0.01089 -0.07029 145 4S 0.10183 0.10986 -0.09623 -0.01161 -0.09886 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY 0.00844 -0.01197 -0.01930 -0.00353 0.01362 148 4PZ -0.00571 -0.01309 -0.01982 -0.01371 -0.04227 149 5S -0.06132 -0.05697 -0.12523 0.01967 0.05886 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY 0.00600 -0.01871 -0.01718 0.02253 0.01426 152 5PZ 0.02600 0.02083 0.00421 0.01839 -0.04627 153 6D 0 0.00399 0.00678 0.00096 0.00020 0.00063 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00134 0.00091 -0.00393 -0.00096 -0.00152 156 6D+2 -0.00415 -0.00312 0.00530 0.00138 0.00502 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.00209 0.00650 0.00047 -0.00053 -0.00037 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 -0.00116 0.00379 -0.01015 -0.00491 -0.00610 161 7D+2 -0.00458 0.00180 0.00121 -0.00111 -0.00395 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S 0.02160 0.04333 -0.02818 -0.00747 -0.06415 164 2S 0.02085 0.05845 -0.04182 -0.01292 -0.09300 165 3S -0.00239 -0.00745 0.00291 0.00352 -0.00058 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00392 0.00868 -0.00713 -0.00210 -0.01249 168 4PZ -0.00217 -0.00564 0.00190 0.00089 0.00423 169 8 Mg 1S 0.00069 0.00000 -0.00246 0.00292 0.00000 170 2S 0.00188 0.00000 -0.00662 0.00782 0.00000 171 3S -0.00489 0.00000 0.01678 -0.01934 0.00000 172 4S -0.00475 0.00000 0.02053 -0.02688 0.00000 173 5S 0.00421 0.00000 -0.03929 0.06241 0.00000 174 6S -0.03109 0.00000 -0.03512 0.11126 0.00000 175 7S -0.00328 0.00000 0.00551 -0.00470 0.00000 176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PY 0.00000 0.00178 0.00000 0.00000 -0.00164 178 7PZ 0.00147 0.00000 -0.00464 0.00289 0.00000 179 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY 0.00000 0.00152 0.00000 0.00000 -0.00391 181 8PZ 0.00452 0.00000 -0.00446 -0.02288 0.00000 182 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 9PY 0.00000 0.00215 0.00000 0.00000 -0.00534 184 9PZ 0.00603 0.00000 -0.00584 -0.03159 0.00000 185 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 186 10PY 0.00000 -0.00219 0.00000 0.00000 0.00481 187 10PZ -0.00198 0.00000 0.00071 0.02884 0.00000 188 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 11PY 0.00000 0.00194 0.00000 0.00000 0.00269 190 11PZ 0.01365 0.00000 0.00166 -0.03534 0.00000 191 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 192 12PY 0.00000 0.00617 0.00000 0.00000 -0.00289 193 12PZ -0.06565 0.00000 0.08414 -0.05168 0.00000 194 13D 0 0.00125 0.00000 -0.00976 0.01683 0.00000 195 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 196 13D-1 0.00000 0.00188 0.00000 0.00000 -0.00424 197 13D+2 -0.00011 0.00000 0.00031 -0.00002 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 -0.00585 0.00000 -0.00246 0.02303 0.00000 200 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 201 14D-1 0.00000 -0.00134 0.00000 0.00000 -0.00056 202 14D+2 0.00035 0.00000 -0.00062 0.00018 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S -0.00003 0.00000 0.00400 -0.01585 0.00000 205 2S -0.00010 0.00000 0.01294 -0.05125 0.00000 206 3S 0.00028 0.00000 -0.03489 0.13810 0.00000 207 4S 0.00032 0.00000 -0.04294 0.17024 0.00000 208 5S -0.00061 0.00000 0.08434 -0.33466 0.00000 209 6S -0.00096 0.00000 0.10597 -0.41848 0.00000 210 7S 0.00206 0.00000 -0.19678 0.77396 0.00000 211 8S 0.00029 0.00000 -0.09414 0.38595 0.00000 212 9S 0.06866 0.00000 -0.06557 0.02247 0.00000 213 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 214 9PY 0.00000 -0.00231 0.00000 0.00000 0.00149 215 9PZ -0.02191 0.00000 0.01976 -0.00196 0.00000 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 -0.00000 0.00000 0.00000 0.00001 218 10PZ -0.00001 0.00000 0.00022 -0.00079 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 -0.00001 0.00000 0.00000 0.00004 221 11PZ -0.00006 0.00000 0.00185 -0.00654 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00002 0.00000 0.00000 -0.00012 224 12PZ 0.00014 0.00000 -0.00473 0.01687 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 -0.00005 0.00000 0.00000 0.00002 227 13PZ 0.00031 0.00000 -0.00185 0.00503 0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 0.00011 0.00000 0.00000 -0.00003 230 14PZ -0.00065 0.00000 0.00342 -0.00894 0.00000 231 15PX 0.00000 0.00000 0.00000 0.00000 0.00000 232 15PY 0.00000 -0.00018 0.00000 0.00000 0.00027 233 15PZ 0.00051 0.00000 0.00855 -0.03362 0.00000 234 16PX 0.00000 0.00000 0.00000 0.00000 0.00000 235 16PY 0.00000 0.00038 0.00000 0.00000 0.00010 236 16PZ -0.00070 0.00000 0.00216 -0.01584 0.00000 237 17D 0 -0.00005 0.00000 0.00151 -0.00544 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 -0.00001 0.00000 0.00000 0.00004 240 17D+2 0.00000 0.00000 -0.00001 0.00003 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 -0.00013 0.00000 0.00124 -0.00389 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00004 0.00000 0.00000 -0.00007 245 18D+2 -0.00000 0.00000 0.00001 0.00001 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00023 0.00000 -0.00218 0.00668 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00000 -0.00008 0.00000 0.00000 0.00013 250 19D+2 0.00000 0.00000 -0.00001 -0.00002 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 -0.00062 0.00000 -0.00182 0.01197 0.00000 253 20D+1 0.00000 0.00000 0.00000 0.00000 0.00000 254 20D-1 0.00000 0.00015 0.00000 0.00000 -0.00034 255 20D+2 -0.00002 0.00000 0.00008 -0.00011 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.02160 -0.04333 -0.02818 -0.00747 0.06415 258 2S 0.02085 -0.05845 -0.04182 -0.01292 0.09300 259 3S -0.00239 0.00745 0.00291 0.00352 0.00058 260 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 261 4PY -0.00392 0.00868 0.00713 0.00210 -0.01249 262 4PZ -0.00217 0.00564 0.00190 0.00089 -0.00423 263 11 H 1S 0.02328 -0.04348 0.02196 0.00561 -0.06124 264 2S 0.02326 -0.05846 0.03148 0.00905 -0.08823 265 3S -0.00758 0.00540 -0.00238 -0.00458 -0.00028 266 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 267 4PY -0.00444 0.00854 -0.00562 -0.00163 0.01189 268 4PZ 0.00246 -0.00603 0.00104 0.00029 -0.00446 269 12 H 1S 0.02393 0.00000 0.05016 0.01298 0.00000 270 2S 0.02453 0.00000 0.06610 0.01744 0.00000 271 3S -0.00761 0.00000 -0.00572 -0.00077 0.00000 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 -0.00197 0.00000 0.00000 -0.00383 274 4PZ 0.00534 0.00000 0.01184 0.00304 0.00000 275 13 H 1S 0.02328 0.04348 0.02196 0.00561 0.06124 276 2S 0.02326 0.05846 0.03148 0.00905 0.08823 277 3S -0.00758 -0.00540 -0.00238 -0.00458 0.00028 278 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 4PY 0.00444 0.00854 0.00562 0.00163 0.01189 280 4PZ 0.00246 0.00603 0.00104 0.00029 0.00446 31 32 33 34 35 (A1)--O (A1)--O (A1)--O (B2)--O (B2)--O Eigenvalues -- -0.59639 -0.51989 -0.45421 -0.45116 -0.42520 1 1 C 1S -0.03344 -0.00725 -0.02455 -0.00137 -0.01124 2 2S -0.05250 -0.01198 -0.03857 -0.00221 -0.01849 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY -0.06365 0.07090 -0.08696 -0.06045 0.10504 5 2PZ 0.05642 0.05253 -0.05023 0.11681 0.07011 6 3S 0.14358 0.04012 0.10401 0.00684 0.05901 7 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 3PY -0.08605 0.09702 -0.11720 -0.08537 0.14559 9 3PZ 0.08031 0.07294 -0.06683 0.16507 0.09945 10 4S 0.09621 0.00778 0.02538 -0.00598 0.01043 11 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 12 4PY -0.03601 0.03949 -0.07819 -0.04032 0.07552 13 4PZ 0.03446 0.02839 -0.04970 0.06935 0.04851 14 5S 0.06567 0.15354 0.21872 0.00234 0.06099 15 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 5PY 0.02489 0.01940 0.01598 0.02591 0.02332 17 5PZ -0.01958 0.02120 0.02024 -0.03098 -0.01396 18 6D 0 0.00548 0.00019 -0.00155 0.00614 0.00640 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 0.00307 0.00086 0.00875 0.00419 -0.00338 21 6D+2 0.00020 -0.00129 -0.00218 0.00341 0.00222 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 7D 0 0.00372 -0.00538 -0.00484 -0.00438 0.00330 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 -0.00900 0.00799 0.01249 -0.00158 0.00526 26 7D+2 0.00435 -0.00250 0.00416 -0.00194 0.00491 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 C 1S 0.05271 0.01567 0.03134 0.00000 0.00000 29 2S 0.08292 0.02416 0.04986 0.00000 0.00000 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY 0.00000 0.00000 0.00000 0.12865 -0.05322 32 2PZ 0.02642 0.12025 -0.00879 0.00000 0.00000 33 3S -0.22932 -0.06039 -0.14164 0.00000 0.00000 34 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 35 3PY 0.00000 0.00000 0.00000 0.18226 -0.07771 36 3PZ 0.03195 0.16388 -0.01671 0.00000 0.00000 37 4S -0.13479 -0.05553 -0.03873 0.00000 0.00000 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY 0.00000 0.00000 0.00000 0.08423 -0.03957 40 4PZ 0.02007 0.07375 0.02140 0.00000 0.00000 41 5S -0.11766 -0.11698 -0.18918 0.00000 0.00000 42 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 5PY 0.00000 0.00000 0.00000 0.04544 0.03702 44 5PZ 0.00682 -0.01582 -0.03231 0.00000 0.00000 45 6D 0 -0.00302 -0.00147 -0.00566 0.00000 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00000 0.00000 0.00739 -0.01041 48 6D+2 0.00326 -0.00056 -0.00077 0.00000 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00936 0.01436 -0.01069 0.00000 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.00000 0.00000 -0.00497 -0.01380 53 7D+2 0.00185 0.00597 -0.01491 0.00000 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S -0.03344 -0.00725 -0.02455 0.00137 0.01124 56 2S -0.05250 -0.01198 -0.03857 0.00221 0.01849 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.06365 -0.07090 0.08696 -0.06045 0.10504 59 2PZ 0.05642 0.05253 -0.05023 -0.11681 -0.07011 60 3S 0.14358 0.04012 0.10401 -0.00684 -0.05901 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY 0.08605 -0.09702 0.11720 -0.08537 0.14559 63 3PZ 0.08031 0.07294 -0.06683 -0.16507 -0.09945 64 4S 0.09621 0.00778 0.02538 0.00598 -0.01043 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY 0.03601 -0.03949 0.07819 -0.04032 0.07552 67 4PZ 0.03446 0.02839 -0.04970 -0.06935 -0.04851 68 5S 0.06567 0.15354 0.21872 -0.00234 -0.06099 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY -0.02489 -0.01940 -0.01598 0.02591 0.02332 71 5PZ -0.01958 0.02120 0.02024 0.03098 0.01396 72 6D 0 0.00548 0.00019 -0.00155 -0.00614 -0.00640 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 -0.00307 -0.00086 -0.00875 0.00419 -0.00338 75 6D+2 0.00020 -0.00129 -0.00218 -0.00341 -0.00222 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.00372 -0.00538 -0.00484 0.00438 -0.00330 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.00900 -0.00799 -0.01249 -0.00158 0.00526 80 7D+2 0.00435 -0.00250 0.00416 0.00194 -0.00491 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S -0.02061 0.01033 0.02499 -0.00114 0.01306 83 2S -0.03228 0.01584 0.03938 -0.00179 0.02134 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY 0.07122 -0.06818 -0.07764 -0.05364 0.09521 86 2PZ -0.06798 -0.06590 -0.00407 0.11968 0.06796 87 3S 0.08754 -0.03835 -0.10788 0.00485 -0.06749 88 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 3PY 0.09808 -0.09090 -0.10590 -0.07803 0.13286 90 3PZ -0.09700 -0.09017 -0.00231 0.17008 0.09498 91 4S 0.03164 -0.03634 -0.03812 -0.00903 -0.01423 92 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 4PY 0.04858 -0.03665 -0.06368 -0.03244 0.06016 94 4PZ -0.02951 -0.04490 -0.02464 0.08416 0.06121 95 5S -0.13989 -0.18558 -0.18490 0.14640 0.05957 96 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PY 0.05115 0.02184 0.01041 -0.05271 -0.00904 98 5PZ -0.01585 0.01800 0.03123 0.07264 0.01408 99 6D 0 0.00652 0.00290 -0.00085 -0.00595 -0.00683 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 0.00347 0.00040 -0.00903 -0.00324 0.00238 102 6D+2 0.00196 0.00176 0.00102 -0.00327 -0.00245 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 0.00086 -0.00454 0.00550 0.00255 -0.00272 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 0.00287 0.01465 -0.01587 0.00210 -0.00581 107 7D+2 0.00098 -0.00507 -0.00167 0.00138 -0.00604 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 5 C 1S 0.05887 0.01062 -0.04084 0.00000 0.00000 110 2S 0.09253 0.01656 -0.06481 0.00000 0.00000 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY 0.00000 0.00000 0.00000 0.12431 -0.04305 113 2PZ 0.01467 -0.04569 -0.01217 0.00000 0.00000 114 3S -0.25031 -0.04059 0.17799 0.00000 0.00000 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY 0.00000 0.00000 0.00000 0.17376 -0.06397 117 3PZ 0.02042 -0.06767 -0.01643 0.00000 0.00000 118 4S -0.15304 -0.02548 0.12096 0.00000 0.00000 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY 0.00000 0.00000 0.00000 0.09457 -0.05415 121 4PZ -0.03128 -0.02724 0.02009 0.00000 0.00000 122 5S 0.33874 0.20949 0.09158 0.00000 0.00000 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 5PY 0.00000 0.00000 0.00000 -0.13323 -0.05643 125 5PZ -0.01714 -0.00389 -0.04519 0.00000 0.00000 126 6D 0 0.00059 0.00488 0.00179 0.00000 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00000 0.00000 -0.00869 0.00937 129 6D+2 0.00539 0.00222 -0.00134 0.00000 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 -0.00535 0.00657 0.01117 0.00000 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.00000 0.00000 0.00000 0.00564 0.01192 134 7D+2 -0.00207 0.00441 0.01068 0.00000 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S -0.02061 0.01033 0.02499 0.00114 -0.01306 137 2S -0.03228 0.01584 0.03938 0.00179 -0.02134 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY -0.07122 0.06818 0.07764 -0.05364 0.09521 140 2PZ -0.06798 -0.06590 -0.00407 -0.11968 -0.06796 141 3S 0.08754 -0.03835 -0.10788 -0.00485 0.06749 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY -0.09808 0.09090 0.10590 -0.07803 0.13286 144 3PZ -0.09700 -0.09017 -0.00231 -0.17008 -0.09498 145 4S 0.03164 -0.03634 -0.03812 0.00903 0.01423 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY -0.04858 0.03665 0.06368 -0.03244 0.06016 148 4PZ -0.02951 -0.04490 -0.02464 -0.08416 -0.06121 149 5S -0.13989 -0.18558 -0.18490 -0.14640 -0.05957 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY -0.05115 -0.02184 -0.01041 -0.05271 -0.00904 152 5PZ -0.01585 0.01800 0.03123 -0.07264 -0.01408 153 6D 0 0.00652 0.00290 -0.00085 0.00595 0.00683 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 -0.00347 -0.00040 0.00903 -0.00324 0.00238 156 6D+2 0.00196 0.00176 0.00102 0.00327 0.00245 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.00086 -0.00454 0.00550 -0.00255 0.00272 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 -0.00287 -0.01465 0.01587 0.00210 -0.00581 161 7D+2 0.00098 -0.00507 -0.00167 -0.00138 0.00604 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S 0.03834 -0.07588 -0.08747 -0.00929 -0.08334 164 2S 0.04885 -0.11870 -0.12473 -0.01394 -0.12185 165 3S 0.00506 -0.02544 -0.04337 -0.00505 -0.05530 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00376 -0.01154 -0.01010 -0.00400 -0.00772 168 4PZ -0.00623 0.00461 0.00626 -0.00479 0.00360 169 8 Mg 1S -0.00207 -0.00228 0.00166 0.00000 0.00000 170 2S -0.00562 -0.00615 0.00449 0.00000 0.00000 171 3S 0.01451 0.01564 -0.01165 0.00000 0.00000 172 4S 0.01759 0.02148 -0.01495 0.00000 0.00000 173 5S -0.03404 -0.05209 0.03076 0.00000 0.00000 174 6S -0.00633 -0.06181 0.00758 0.00000 0.00000 175 7S 0.00020 0.00252 -0.00188 0.00000 0.00000 176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PY 0.00000 0.00000 0.00000 -0.00099 -0.00037 178 7PZ -0.00305 -0.00442 0.00378 0.00000 0.00000 179 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY 0.00000 0.00000 0.00000 -0.00614 -0.00117 181 8PZ -0.01120 -0.00995 0.00767 0.00000 0.00000 182 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 9PY 0.00000 0.00000 0.00000 -0.00836 -0.00151 184 9PZ -0.01517 -0.01365 0.01041 0.00000 0.00000 185 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 186 10PY 0.00000 0.00000 0.00000 0.00880 0.00048 187 10PZ 0.01187 0.01574 -0.00967 0.00000 0.00000 188 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 11PY 0.00000 0.00000 0.00000 0.00772 0.01007 190 11PZ -0.01222 0.01582 0.00740 0.00000 0.00000 191 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 192 12PY 0.00000 0.00000 0.00000 0.00713 0.00847 193 12PZ 0.05288 0.01815 -0.03299 0.00000 0.00000 194 13D 0 -0.00744 -0.00849 0.00639 0.00000 0.00000 195 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 196 13D-1 0.00000 0.00000 0.00000 -0.00679 0.00011 197 13D+2 0.00006 0.00093 0.00091 0.00000 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00215 -0.01167 0.00462 0.00000 0.00000 200 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 201 14D-1 0.00000 0.00000 0.00000 -0.00187 -0.00684 202 14D+2 -0.00150 0.00128 0.00200 0.00000 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S -0.00013 -0.00014 0.00008 0.00000 0.00000 205 2S -0.00043 -0.00044 0.00025 0.00000 0.00000 206 3S 0.00115 0.00118 -0.00067 0.00000 0.00000 207 4S 0.00153 0.00155 -0.00093 0.00000 0.00000 208 5S -0.00313 -0.00316 0.00195 0.00000 0.00000 209 6S -0.00306 -0.00327 0.00162 0.00000 0.00000 210 7S 0.00421 0.00503 -0.00158 0.00000 0.00000 211 8S 0.01087 0.01309 -0.01193 0.00000 0.00000 212 9S -0.04140 0.00567 0.02406 0.00000 0.00000 213 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 214 9PY 0.00000 0.00000 0.00000 -0.00110 -0.00174 215 9PZ 0.01456 -0.00133 -0.00949 0.00000 0.00000 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00003 0.00002 218 10PZ 0.00005 0.00011 -0.00011 0.00000 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00000 0.00021 0.00018 221 11PZ 0.00041 0.00087 -0.00088 0.00000 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00000 0.00000 -0.00056 -0.00047 224 12PZ -0.00101 -0.00222 0.00226 0.00000 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 0.00000 0.00000 -0.00013 -0.00019 227 13PZ -0.00088 -0.00122 0.00130 0.00000 0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 0.00000 0.00000 0.00030 0.00042 230 14PZ 0.00181 0.00255 -0.00276 0.00000 0.00000 231 15PX 0.00000 0.00000 0.00000 0.00000 0.00000 232 15PY 0.00000 0.00000 0.00000 0.00107 0.00072 233 15PZ 0.00092 0.00325 -0.00311 0.00000 0.00000 234 16PX 0.00000 0.00000 0.00000 0.00000 0.00000 235 16PY 0.00000 0.00000 0.00000 0.00052 0.00193 236 16PZ -0.00474 -0.00364 0.00376 0.00000 0.00000 237 17D 0 0.00019 0.00032 -0.00027 0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00009 0.00007 240 17D+2 -0.00001 -0.00000 -0.00000 0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00035 0.00029 -0.00034 0.00000 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00000 0.00000 -0.00005 -0.00001 245 18D+2 0.00004 -0.00004 -0.00005 0.00000 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 -0.00069 -0.00057 0.00067 0.00000 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00000 0.00000 0.00009 0.00003 250 19D+2 -0.00006 0.00007 0.00009 0.00000 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00179 0.00061 -0.00122 0.00000 0.00000 253 20D+1 0.00000 0.00000 0.00000 0.00000 0.00000 254 20D-1 0.00000 0.00000 0.00000 -0.00042 -0.00051 255 20D+2 0.00016 -0.00015 -0.00018 0.00000 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.03834 -0.07588 -0.08747 0.00929 0.08334 258 2S 0.04885 -0.11870 -0.12473 0.01394 0.12185 259 3S 0.00506 -0.02544 -0.04337 0.00505 0.05530 260 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 261 4PY -0.00376 0.01154 0.01010 -0.00400 -0.00772 262 4PZ -0.00623 0.00461 0.00626 0.00479 -0.00360 263 11 H 1S 0.04889 -0.05306 0.11073 0.00272 0.09291 264 2S 0.07398 -0.07699 0.16273 0.00418 0.13637 265 3S 0.00198 -0.02372 0.04747 0.00285 0.05572 266 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 267 4PY -0.00709 0.00640 -0.01367 -0.00305 -0.00881 268 4PZ 0.00761 -0.00316 0.00760 -0.00488 0.00498 269 12 H 1S -0.06696 -0.10137 -0.03214 0.00000 0.00000 270 2S -0.09922 -0.15085 -0.04655 0.00000 0.00000 271 3S -0.00071 -0.03127 -0.00693 0.00000 0.00000 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 0.00000 0.00581 -0.00175 274 4PZ -0.01372 -0.01572 -0.00629 0.00000 0.00000 275 13 H 1S 0.04889 -0.05306 0.11073 -0.00272 -0.09291 276 2S 0.07398 -0.07699 0.16273 -0.00418 -0.13637 277 3S 0.00198 -0.02372 0.04747 -0.00285 -0.05572 278 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 4PY 0.00709 -0.00640 0.01367 -0.00305 -0.00881 280 4PZ 0.00761 -0.00316 0.00760 0.00488 -0.00498 36 37 38 39 40 (A1)--O (B1)--O (B2)--O (A1)--O (B2)--O Eigenvalues -- -0.39568 -0.37181 -0.34661 -0.33573 -0.28814 1 1 C 1S 0.01153 0.00000 0.00141 0.00134 0.00026 2 2S 0.01836 0.00000 0.00253 0.00221 0.00046 3 2PX 0.00000 0.10234 0.00000 0.00000 0.00000 4 2PY -0.04070 0.00000 -0.10392 0.00206 0.00001 5 2PZ 0.07853 0.00000 0.01027 -0.02914 -0.00091 6 3S -0.05143 0.00000 -0.01069 -0.00817 -0.00129 7 3PX 0.00000 0.15977 0.00000 0.00000 0.00000 8 3PY -0.06119 0.00000 -0.13962 0.00345 0.00056 9 3PZ 0.11036 0.00000 0.01871 -0.03968 -0.00455 10 4S -0.01639 0.00000 0.01434 0.04027 -0.02564 11 4PX 0.00000 0.10757 0.00000 0.00000 0.00000 12 4PY -0.02596 0.00000 -0.07770 0.01342 -0.00275 13 4PZ 0.06586 0.00000 0.01197 -0.00432 -0.01681 14 5S -0.11226 0.00000 0.05291 -0.01987 -0.10806 15 5PX 0.00000 0.00246 0.00000 0.00000 0.00000 16 5PY 0.02618 0.00000 0.00471 0.06870 0.05631 17 5PZ -0.04910 0.00000 -0.00386 -0.06398 -0.12725 18 6D 0 0.00983 0.00000 -0.00118 -0.00247 -0.00005 19 6D+1 0.00000 0.00274 0.00000 0.00000 0.00000 20 6D-1 0.00326 0.00000 0.01302 0.00021 -0.00004 21 6D+2 0.00645 0.00000 -0.00031 -0.00124 -0.00002 22 6D-2 0.00000 0.00519 0.00000 0.00000 0.00000 23 7D 0 0.01716 0.00000 -0.00256 0.00096 -0.00281 24 7D+1 0.00000 0.00404 0.00000 0.00000 0.00000 25 7D-1 -0.00325 0.00000 0.01648 -0.00078 0.00100 26 7D+2 0.00544 0.00000 -0.00025 -0.00182 -0.00044 27 7D-2 0.00000 0.00880 0.00000 0.00000 0.00000 28 2 C 1S 0.00532 0.00000 0.00000 -0.00110 0.00000 29 2S 0.00920 0.00000 0.00000 -0.00184 0.00000 30 2PX 0.00000 0.10394 0.00000 0.00000 0.00000 31 2PY 0.00000 0.00000 0.12008 0.00000 -0.00057 32 2PZ -0.16627 0.00000 0.00000 0.02260 0.00000 33 3S -0.03451 0.00000 0.00000 0.00666 0.00000 34 3PX 0.00000 0.16237 0.00000 0.00000 0.00000 35 3PY 0.00000 0.00000 0.16674 0.00000 -0.00156 36 3PZ -0.22692 0.00000 0.00000 0.02939 0.00000 37 4S -0.00935 0.00000 0.00000 -0.02465 0.00000 38 4PX 0.00000 0.11136 0.00000 0.00000 0.00000 39 4PY 0.00000 0.00000 0.09997 0.00000 0.00131 40 4PZ -0.12941 0.00000 0.00000 0.00271 0.00000 41 5S -0.07179 0.00000 0.00000 -0.24914 0.00000 42 5PX 0.00000 0.01039 0.00000 0.00000 0.00000 43 5PY 0.00000 0.00000 0.02201 0.00000 0.11976 44 5PZ -0.00460 0.00000 0.00000 -0.00976 0.00000 45 6D 0 0.01211 0.00000 0.00000 -0.00270 0.00000 46 6D+1 0.00000 0.00594 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00000 0.01030 0.00000 0.00009 48 6D+2 0.00807 0.00000 0.00000 -0.00174 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.01367 0.00000 0.00000 -0.00242 0.00000 51 7D+1 0.00000 0.01053 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.00000 0.00837 0.00000 0.00091 53 7D+2 0.00798 0.00000 0.00000 -0.00050 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.01153 0.00000 -0.00141 0.00134 -0.00026 56 2S 0.01836 0.00000 -0.00253 0.00221 -0.00046 57 2PX 0.00000 0.10234 0.00000 0.00000 0.00000 58 2PY 0.04070 0.00000 -0.10392 -0.00206 0.00001 59 2PZ 0.07853 0.00000 -0.01027 -0.02914 0.00091 60 3S -0.05143 0.00000 0.01069 -0.00817 0.00129 61 3PX 0.00000 0.15977 0.00000 0.00000 0.00000 62 3PY 0.06119 0.00000 -0.13962 -0.00345 0.00056 63 3PZ 0.11036 0.00000 -0.01871 -0.03968 0.00455 64 4S -0.01639 0.00000 -0.01434 0.04027 0.02564 65 4PX 0.00000 0.10757 0.00000 0.00000 0.00000 66 4PY 0.02596 0.00000 -0.07770 -0.01342 -0.00275 67 4PZ 0.06586 0.00000 -0.01197 -0.00432 0.01681 68 5S -0.11226 0.00000 -0.05291 -0.01987 0.10806 69 5PX 0.00000 0.00246 0.00000 0.00000 0.00000 70 5PY -0.02618 0.00000 0.00471 -0.06870 0.05631 71 5PZ -0.04910 0.00000 0.00386 -0.06398 0.12725 72 6D 0 0.00983 0.00000 0.00118 -0.00247 0.00005 73 6D+1 0.00000 0.00274 0.00000 0.00000 0.00000 74 6D-1 -0.00326 0.00000 0.01302 -0.00021 -0.00004 75 6D+2 0.00645 0.00000 0.00031 -0.00124 0.00002 76 6D-2 0.00000 -0.00519 0.00000 0.00000 0.00000 77 7D 0 0.01716 0.00000 0.00256 0.00096 0.00281 78 7D+1 0.00000 0.00404 0.00000 0.00000 0.00000 79 7D-1 0.00325 0.00000 0.01648 0.00078 0.00100 80 7D+2 0.00544 0.00000 0.00025 -0.00182 0.00044 81 7D-2 0.00000 -0.00880 0.00000 0.00000 0.00000 82 4 C 1S -0.01601 0.00000 0.00451 -0.00134 0.00048 83 2S -0.02588 0.00000 0.00763 -0.00210 0.00067 84 2PX 0.00000 0.09873 0.00000 0.00000 0.00000 85 2PY -0.04607 0.00000 0.11477 -0.00150 -0.00032 86 2PZ -0.07189 0.00000 -0.01046 0.03052 -0.00189 87 3S 0.07762 0.00000 -0.02712 0.00610 0.00061 88 3PX 0.00000 0.15382 0.00000 0.00000 0.00000 89 3PY -0.06414 0.00000 0.15672 -0.00302 -0.00143 90 3PZ -0.09765 0.00000 -0.01962 0.04306 -0.00076 91 4S 0.01800 0.00000 0.01451 -0.01866 -0.04772 92 4PX 0.00000 0.10914 0.00000 0.00000 0.00000 93 4PY -0.02491 0.00000 0.08217 -0.00363 0.00622 94 4PZ -0.04806 0.00000 -0.00404 0.04483 0.00932 95 5S 0.05230 0.00000 0.18152 0.00516 -0.24075 96 5PX 0.00000 0.02369 0.00000 0.00000 0.00000 97 5PY 0.03841 0.00000 -0.02393 0.07207 -0.04398 98 5PZ -0.07242 0.00000 0.02682 -0.09407 0.12386 99 6D 0 0.00184 0.00000 -0.00236 -0.00280 0.00033 100 6D+1 0.00000 -0.00304 0.00000 0.00000 0.00000 101 6D-1 -0.00339 0.00000 0.01325 0.00036 -0.00022 102 6D+2 -0.00038 0.00000 -0.00096 -0.00162 0.00005 103 6D-2 0.00000 -0.00440 0.00000 0.00000 0.00000 104 7D 0 -0.01006 0.00000 -0.00259 -0.00648 -0.00502 105 7D+1 0.00000 -0.00581 0.00000 0.00000 0.00000 106 7D-1 0.00576 0.00000 0.01540 0.00290 0.00178 107 7D+2 -0.00273 0.00000 -0.00113 -0.00285 -0.00105 108 7D-2 0.00000 -0.00826 0.00000 0.00000 0.00000 109 5 C 1S 0.01272 0.00000 0.00000 0.00011 0.00000 110 2S 0.01990 0.00000 0.00000 0.00030 0.00000 111 2PX 0.00000 0.09166 0.00000 0.00000 0.00000 112 2PY 0.00000 0.00000 -0.12743 0.00000 -0.00063 113 2PZ -0.08433 0.00000 0.00000 -0.03021 0.00000 114 3S -0.04893 0.00000 0.00000 -0.00188 0.00000 115 3PX 0.00000 0.14266 0.00000 0.00000 0.00000 116 3PY 0.00000 0.00000 -0.17597 0.00000 -0.00379 117 3PZ -0.12746 0.00000 0.00000 -0.04556 0.00000 118 4S -0.04214 0.00000 0.00000 0.02196 0.00000 119 4PX 0.00000 0.09925 0.00000 0.00000 0.00000 120 4PY 0.00000 0.00000 -0.13246 0.00000 0.02990 121 4PZ -0.08504 0.00000 0.00000 0.00495 0.00000 122 5S 0.28644 0.00000 0.00000 0.63945 0.00000 123 5PX 0.00000 -0.03867 0.00000 0.00000 0.00000 124 5PY 0.00000 0.00000 -0.11876 0.00000 -0.00496 125 5PZ 0.02965 0.00000 0.00000 0.15355 0.00000 126 6D 0 0.00390 0.00000 0.00000 -0.00220 0.00000 127 6D+1 0.00000 -0.00632 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00000 0.01273 0.00000 -0.00021 129 6D+2 0.00043 0.00000 0.00000 -0.00209 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00368 0.00000 0.00000 -0.00338 0.00000 132 7D+1 0.00000 -0.00772 0.00000 0.00000 0.00000 133 7D-1 0.00000 0.00000 0.00663 0.00000 0.00493 134 7D+2 0.00256 0.00000 0.00000 -0.00352 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S -0.01601 0.00000 -0.00451 -0.00134 -0.00048 137 2S -0.02588 0.00000 -0.00763 -0.00210 -0.00067 138 2PX 0.00000 0.09873 0.00000 0.00000 0.00000 139 2PY 0.04607 0.00000 0.11477 0.00150 -0.00032 140 2PZ -0.07189 0.00000 0.01046 0.03052 0.00189 141 3S 0.07762 0.00000 0.02712 0.00610 -0.00061 142 3PX 0.00000 0.15382 0.00000 0.00000 0.00000 143 3PY 0.06414 0.00000 0.15672 0.00302 -0.00143 144 3PZ -0.09765 0.00000 0.01962 0.04306 0.00076 145 4S 0.01800 0.00000 -0.01451 -0.01866 0.04772 146 4PX 0.00000 0.10914 0.00000 0.00000 0.00000 147 4PY 0.02491 0.00000 0.08217 0.00363 0.00622 148 4PZ -0.04806 0.00000 0.00404 0.04483 -0.00932 149 5S 0.05230 0.00000 -0.18152 0.00516 0.24075 150 5PX 0.00000 0.02369 0.00000 0.00000 0.00000 151 5PY -0.03841 0.00000 -0.02393 -0.07207 -0.04398 152 5PZ -0.07242 0.00000 -0.02682 -0.09407 -0.12386 153 6D 0 0.00184 0.00000 0.00236 -0.00280 -0.00033 154 6D+1 0.00000 -0.00304 0.00000 0.00000 0.00000 155 6D-1 0.00339 0.00000 0.01325 -0.00036 -0.00022 156 6D+2 -0.00038 0.00000 0.00096 -0.00162 -0.00005 157 6D-2 0.00000 0.00440 0.00000 0.00000 0.00000 158 7D 0 -0.01006 0.00000 0.00259 -0.00648 0.00502 159 7D+1 0.00000 -0.00581 0.00000 0.00000 0.00000 160 7D-1 -0.00576 0.00000 0.01540 -0.00290 0.00178 161 7D+2 -0.00273 0.00000 0.00113 -0.00285 0.00105 162 7D-2 0.00000 0.00826 0.00000 0.00000 0.00000 163 7 H 1S -0.04678 0.00000 -0.09321 0.01502 0.00118 164 2S -0.07719 0.00000 -0.14731 0.02147 0.00385 165 3S -0.03787 0.00000 -0.08882 0.01219 -0.00622 166 4PX 0.00000 0.00771 0.00000 0.00000 0.00000 167 4PY -0.00592 0.00000 -0.00724 0.00182 0.00008 168 4PZ -0.00031 0.00000 0.00721 0.00005 -0.00072 169 8 Mg 1S -0.00568 0.00000 0.00000 -0.01300 0.00000 170 2S -0.01537 0.00000 0.00000 -0.03519 0.00000 171 3S 0.03976 0.00000 0.00000 0.09124 0.00000 172 4S 0.05394 0.00000 0.00000 0.12622 0.00000 173 5S -0.13287 0.00000 0.00000 -0.33265 0.00000 174 6S -0.06935 0.00000 0.00000 -0.29886 0.00000 175 7S 0.00366 0.00000 0.00000 0.01511 0.00000 176 7PX 0.00000 -0.00072 0.00000 0.00000 0.00000 177 7PY 0.00000 0.00000 0.00016 0.00000 0.00512 178 7PZ -0.00600 0.00000 0.00000 -0.01338 0.00000 179 8PX 0.00000 -0.00616 0.00000 0.00000 0.00000 180 8PY 0.00000 0.00000 0.00306 0.00000 -0.01918 181 8PZ -0.01606 0.00000 0.00000 0.03454 0.00000 182 9PX 0.00000 -0.00857 0.00000 0.00000 0.00000 183 9PY 0.00000 0.00000 0.00435 0.00000 -0.02680 184 9PZ -0.02179 0.00000 0.00000 0.04793 0.00000 185 10PX 0.00000 0.01026 0.00000 0.00000 0.00000 186 10PY 0.00000 0.00000 -0.00760 0.00000 0.03744 187 10PZ 0.02524 0.00000 0.00000 -0.07271 0.00000 188 11PX 0.00000 0.01341 0.00000 0.00000 0.00000 189 11PY 0.00000 0.00000 0.00916 0.00000 0.03554 190 11PZ 0.01724 0.00000 0.00000 0.03545 0.00000 191 12PX 0.00000 0.01961 0.00000 0.00000 0.00000 192 12PY 0.00000 0.00000 0.01064 0.00000 -0.01398 193 12PZ 0.06728 0.00000 0.00000 0.18889 0.00000 194 13D 0 -0.01619 0.00000 0.00000 -0.03559 0.00000 195 13D+1 0.00000 -0.00740 0.00000 0.00000 0.00000 196 13D-1 0.00000 0.00000 0.00567 0.00000 0.02534 197 13D+2 0.00119 0.00000 0.00000 0.00014 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 -0.01871 0.00000 0.00000 -0.05568 0.00000 200 14D+1 0.00000 -0.01532 0.00000 0.00000 0.00000 201 14D-1 0.00000 0.00000 -0.00691 0.00000 0.04593 202 14D+2 0.00045 0.00000 0.00000 -0.00210 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S -0.00041 0.00000 0.00000 -0.00227 0.00000 205 2S -0.00133 0.00000 0.00000 -0.00733 0.00000 206 3S 0.00355 0.00000 0.00000 0.01973 0.00000 207 4S 0.00459 0.00000 0.00000 0.02491 0.00000 208 5S -0.00934 0.00000 0.00000 -0.05016 0.00000 209 6S -0.01031 0.00000 0.00000 -0.06073 0.00000 210 7S 0.01844 0.00000 0.00000 0.12629 0.00000 211 8S 0.03164 0.00000 0.00000 0.10654 0.00000 212 9S -0.03492 0.00000 0.00000 -0.07943 0.00000 213 9PX 0.00000 -0.00629 0.00000 0.00000 0.00000 214 9PY 0.00000 0.00000 -0.00214 0.00000 0.02637 215 9PZ 0.01273 0.00000 0.00000 0.03416 0.00000 216 10PX 0.00000 0.00007 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00001 0.00000 0.01349 218 10PZ 0.00098 0.00000 0.00000 0.01209 0.00000 219 11PX 0.00000 0.00058 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00011 0.00000 0.11130 221 11PZ 0.00806 0.00000 0.00000 0.09971 0.00000 222 12PX 0.00000 -0.00150 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00000 -0.00029 0.00000 -0.29077 224 12PZ -0.02090 0.00000 0.00000 -0.25991 0.00000 225 13PX 0.00000 -0.00071 0.00000 0.00000 0.00000 226 13PY 0.00000 0.00000 -0.00019 0.00000 -0.10561 227 13PZ -0.00845 0.00000 0.00000 -0.09540 0.00000 228 14PX 0.00000 0.00162 0.00000 0.00000 0.00000 229 14PY 0.00000 0.00000 0.00040 0.00000 0.23667 230 14PZ 0.01827 0.00000 0.00000 0.20988 0.00000 231 15PX 0.00000 0.00158 0.00000 0.00000 0.00000 232 15PY 0.00000 0.00000 0.00034 0.00000 0.54746 233 15PZ 0.03666 0.00000 0.00000 0.48523 0.00000 234 16PX 0.00000 0.00787 0.00000 0.00000 0.00000 235 16PY 0.00000 0.00000 0.00200 0.00000 0.35819 236 16PZ 0.01065 0.00000 0.00000 0.27175 0.00000 237 17D 0 0.00166 0.00000 0.00000 0.01271 0.00000 238 17D+1 0.00000 0.00023 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.00002 0.00000 0.00758 240 17D+2 -0.00001 0.00000 0.00000 -0.00001 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00116 0.00000 0.00000 0.00705 0.00000 243 18D+1 0.00000 -0.00035 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00000 0.00003 0.00000 0.00264 245 18D+2 -0.00003 0.00000 0.00000 0.00004 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 -0.00224 0.00000 0.00000 -0.01369 0.00000 248 19D+1 0.00000 0.00064 0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00000 -0.00006 0.00000 -0.00541 250 19D+2 0.00005 0.00000 0.00000 -0.00007 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 -0.00082 0.00000 0.00000 -0.02755 0.00000 253 20D+1 0.00000 -0.00268 0.00000 0.00000 0.00000 254 20D-1 0.00000 0.00000 -0.00026 0.00000 -0.02970 255 20D+2 -0.00007 0.00000 0.00000 0.00020 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S -0.04678 0.00000 0.09321 0.01502 -0.00118 258 2S -0.07719 0.00000 0.14731 0.02147 -0.00385 259 3S -0.03787 0.00000 0.08882 0.01219 0.00622 260 4PX 0.00000 0.00771 0.00000 0.00000 0.00000 261 4PY 0.00592 0.00000 -0.00724 -0.00182 0.00008 262 4PZ -0.00031 0.00000 -0.00721 0.00005 0.00072 263 11 H 1S -0.01923 0.00000 -0.08588 0.01146 -0.00011 264 2S -0.02875 0.00000 -0.13561 0.01889 0.00119 265 3S -0.01155 0.00000 -0.07686 0.01837 0.00148 266 4PX 0.00000 0.00780 0.00000 0.00000 0.00000 267 4PY 0.00446 0.00000 0.00674 -0.00166 -0.00019 268 4PZ 0.00149 0.00000 -0.00737 -0.00056 0.00010 269 12 H 1S 0.14479 0.00000 0.00000 -0.02229 0.00000 270 2S 0.21607 0.00000 0.00000 -0.03761 0.00000 271 3S 0.10080 0.00000 0.00000 -0.02185 0.00000 272 4PX 0.00000 0.00802 0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 0.00589 0.00000 0.00023 274 4PZ 0.01610 0.00000 0.00000 -0.00241 0.00000 275 13 H 1S -0.01923 0.00000 0.08588 0.01146 0.00011 276 2S -0.02875 0.00000 0.13561 0.01889 -0.00119 277 3S -0.01155 0.00000 0.07686 0.01837 -0.00148 278 4PX 0.00000 0.00780 0.00000 0.00000 0.00000 279 4PY -0.00446 0.00000 0.00674 0.00166 -0.00019 280 4PZ 0.00149 0.00000 0.00737 -0.00056 -0.00010 41 42 43 44 45 (B1)--O (A1)--O (A2)--O (B1)--O (A1)--V Eigenvalues -- -0.28793 -0.27205 -0.26001 -0.25946 -0.05728 1 1 C 1S 0.00000 -0.01029 0.00000 0.00000 -0.00526 2 2S 0.00000 -0.01661 0.00000 0.00000 -0.00863 3 2PX -0.00514 0.00000 0.13291 0.07362 0.00000 4 2PY 0.00000 0.00075 0.00000 0.00000 -0.00292 5 2PZ 0.00000 0.07670 0.00000 0.00000 0.00950 6 3S 0.00000 0.04679 0.00000 0.00000 0.02856 7 3PX -0.00793 0.00000 0.20317 0.11221 0.00000 8 3PY 0.00000 0.00160 0.00000 0.00000 -0.00550 9 3PZ 0.00000 0.10368 0.00000 0.00000 0.01110 10 4S 0.00000 -0.01192 0.00000 0.00000 -0.02583 11 4PX -0.00715 0.00000 0.17287 0.09822 0.00000 12 4PY 0.00000 -0.00710 0.00000 0.00000 -0.01306 13 4PZ 0.00000 0.06070 0.00000 0.00000 -0.01408 14 5S 0.00000 0.20782 0.00000 0.00000 -1.21342 15 5PX -0.00216 0.00000 0.03408 0.03070 0.00000 16 5PY 0.00000 -0.01515 0.00000 0.00000 -0.06210 17 5PZ 0.00000 0.09118 0.00000 0.00000 -0.15850 18 6D 0 0.00000 0.00487 0.00000 0.00000 0.00059 19 6D+1 0.00029 0.00000 0.00619 -0.00673 0.00000 20 6D-1 0.00000 -0.00275 0.00000 0.00000 -0.00342 21 6D+2 0.00000 0.00243 0.00000 0.00000 0.00019 22 6D-2 -0.00032 0.00000 0.00057 0.00610 0.00000 23 7D 0 0.00000 -0.00435 0.00000 0.00000 -0.00387 24 7D+1 0.00066 0.00000 0.01513 -0.02329 0.00000 25 7D-1 0.00000 0.00973 0.00000 0.00000 -0.00415 26 7D+2 0.00000 0.00139 0.00000 0.00000 0.00158 27 7D-2 -0.00123 0.00000 -0.00620 0.01552 0.00000 28 2 C 1S 0.00000 0.00087 0.00000 0.00000 -0.00478 29 2S 0.00000 0.00143 0.00000 0.00000 -0.00788 30 2PX -0.00851 0.00000 0.00000 0.15030 0.00000 31 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 32 2PZ 0.00000 -0.02791 0.00000 0.00000 0.00217 33 3S 0.00000 -0.00406 0.00000 0.00000 0.02419 34 3PX -0.01294 0.00000 0.00000 0.22932 0.00000 35 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 36 3PZ 0.00000 -0.03498 0.00000 0.00000 0.00467 37 4S 0.00000 0.04794 0.00000 0.00000 0.06039 38 4PX -0.00995 0.00000 0.00000 0.19543 0.00000 39 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 40 4PZ 0.00000 -0.00323 0.00000 0.00000 0.01785 41 5S 0.00000 0.06845 0.00000 0.00000 0.56688 42 5PX -0.00099 0.00000 0.00000 0.03055 0.00000 43 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 44 5PZ 0.00000 -0.02523 0.00000 0.00000 0.12581 45 6D 0 0.00000 0.00544 0.00000 0.00000 -0.00074 46 6D+1 -0.00029 0.00000 0.00000 0.00409 0.00000 47 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 48 6D+2 0.00000 0.00339 0.00000 0.00000 -0.00039 49 6D-2 0.00000 0.00000 -0.01026 0.00000 0.00000 50 7D 0 0.00000 -0.00075 0.00000 0.00000 -0.00378 51 7D+1 -0.00013 0.00000 0.00000 0.00210 0.00000 52 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 53 7D+2 0.00000 -0.00101 0.00000 0.00000 -0.00240 54 7D-2 0.00000 0.00000 -0.03279 0.00000 0.00000 55 3 C 1S 0.00000 -0.01029 0.00000 0.00000 -0.00526 56 2S 0.00000 -0.01661 0.00000 0.00000 -0.00863 57 2PX -0.00514 0.00000 -0.13291 0.07362 0.00000 58 2PY 0.00000 -0.00075 0.00000 0.00000 0.00292 59 2PZ 0.00000 0.07670 0.00000 0.00000 0.00950 60 3S 0.00000 0.04679 0.00000 0.00000 0.02856 61 3PX -0.00793 0.00000 -0.20317 0.11221 0.00000 62 3PY 0.00000 -0.00160 0.00000 0.00000 0.00550 63 3PZ 0.00000 0.10368 0.00000 0.00000 0.01110 64 4S 0.00000 -0.01192 0.00000 0.00000 -0.02583 65 4PX -0.00715 0.00000 -0.17287 0.09822 0.00000 66 4PY 0.00000 0.00710 0.00000 0.00000 0.01306 67 4PZ 0.00000 0.06070 0.00000 0.00000 -0.01408 68 5S 0.00000 0.20782 0.00000 0.00000 -1.21342 69 5PX -0.00216 0.00000 -0.03408 0.03070 0.00000 70 5PY 0.00000 0.01515 0.00000 0.00000 0.06210 71 5PZ 0.00000 0.09118 0.00000 0.00000 -0.15850 72 6D 0 0.00000 0.00487 0.00000 0.00000 0.00059 73 6D+1 0.00029 0.00000 -0.00619 -0.00673 0.00000 74 6D-1 0.00000 0.00275 0.00000 0.00000 0.00342 75 6D+2 0.00000 0.00243 0.00000 0.00000 0.00019 76 6D-2 0.00032 0.00000 0.00057 -0.00610 0.00000 77 7D 0 0.00000 -0.00435 0.00000 0.00000 -0.00387 78 7D+1 0.00066 0.00000 -0.01513 -0.02329 0.00000 79 7D-1 0.00000 -0.00973 0.00000 0.00000 0.00415 80 7D+2 0.00000 0.00139 0.00000 0.00000 0.00158 81 7D-2 0.00123 0.00000 -0.00620 -0.01552 0.00000 82 4 C 1S 0.00000 0.01235 0.00000 0.00000 -0.00251 83 2S 0.00000 0.01985 0.00000 0.00000 -0.00393 84 2PX 0.00221 0.00000 -0.13270 -0.07798 0.00000 85 2PY 0.00000 0.02844 0.00000 0.00000 0.02944 86 2PZ 0.00000 -0.08094 0.00000 0.00000 0.00150 87 3S 0.00000 -0.05649 0.00000 0.00000 0.01005 88 3PX 0.00371 0.00000 -0.20191 -0.11903 0.00000 89 3PY 0.00000 0.04461 0.00000 0.00000 0.04641 90 3PZ 0.00000 -0.11182 0.00000 0.00000 0.00003 91 4S 0.00000 -0.04585 0.00000 0.00000 0.06621 92 4PX 0.00276 0.00000 -0.17567 -0.10722 0.00000 93 4PY 0.00000 0.04221 0.00000 0.00000 0.08296 94 4PZ 0.00000 -0.09097 0.00000 0.00000 -0.03573 95 5S 0.00000 -0.08207 0.00000 0.00000 1.72078 96 5PX -0.00106 0.00000 -0.03899 -0.04627 0.00000 97 5PY 0.00000 -0.04928 0.00000 0.00000 -0.23497 98 5PZ 0.00000 0.08340 0.00000 0.00000 -0.41298 99 6D 0 0.00000 0.01112 0.00000 0.00000 0.00380 100 6D+1 0.00047 0.00000 0.00631 -0.00657 0.00000 101 6D-1 0.00000 -0.00166 0.00000 0.00000 -0.00326 102 6D+2 0.00000 0.00713 0.00000 0.00000 0.00189 103 6D-2 -0.00029 0.00000 0.00021 0.00562 0.00000 104 7D 0 0.00000 0.03235 0.00000 0.00000 0.01217 105 7D+1 0.00102 0.00000 0.01479 -0.02362 0.00000 106 7D-1 0.00000 -0.02690 0.00000 0.00000 -0.00944 107 7D+2 0.00000 0.01768 0.00000 0.00000 0.00290 108 7D-2 -0.00106 0.00000 -0.00714 0.01626 0.00000 109 5 C 1S 0.00000 -0.02359 0.00000 0.00000 -0.02619 110 2S 0.00000 -0.03713 0.00000 0.00000 -0.04252 111 2PX 0.00724 0.00000 0.00000 -0.14811 0.00000 112 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 113 2PZ 0.00000 0.18537 0.00000 0.00000 0.08991 114 3S 0.00000 0.08367 0.00000 0.00000 0.12307 115 3PX 0.00910 0.00000 0.00000 -0.22539 0.00000 116 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 3PZ 0.00000 0.27152 0.00000 0.00000 0.13629 118 4S 0.00000 0.24671 0.00000 0.00000 0.29654 119 4PX 0.01831 0.00000 0.00000 -0.19249 0.00000 120 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4PZ 0.00000 0.20413 0.00000 0.00000 0.10488 122 5S 0.00000 -0.18745 0.00000 0.00000 -1.41072 123 5PX 0.00813 0.00000 0.00000 0.00494 0.00000 124 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 125 5PZ 0.00000 0.11721 0.00000 0.00000 0.78135 126 6D 0 0.00000 0.00250 0.00000 0.00000 -0.00230 127 6D+1 -0.00058 0.00000 0.00000 0.00534 0.00000 128 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 129 6D+2 0.00000 0.00715 0.00000 0.00000 -0.00004 130 6D-2 0.00000 0.00000 -0.00941 0.00000 0.00000 131 7D 0 0.00000 0.03221 0.00000 0.00000 -0.01513 132 7D+1 0.00429 0.00000 0.00000 -0.00117 0.00000 133 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 134 7D+2 0.00000 0.01754 0.00000 0.00000 -0.00784 135 7D-2 0.00000 0.00000 -0.03182 0.00000 0.00000 136 6 C 1S 0.00000 0.01235 0.00000 0.00000 -0.00251 137 2S 0.00000 0.01985 0.00000 0.00000 -0.00393 138 2PX 0.00221 0.00000 0.13270 -0.07798 0.00000 139 2PY 0.00000 -0.02844 0.00000 0.00000 -0.02944 140 2PZ 0.00000 -0.08094 0.00000 0.00000 0.00150 141 3S 0.00000 -0.05649 0.00000 0.00000 0.01005 142 3PX 0.00371 0.00000 0.20191 -0.11903 0.00000 143 3PY 0.00000 -0.04461 0.00000 0.00000 -0.04641 144 3PZ 0.00000 -0.11182 0.00000 0.00000 0.00003 145 4S 0.00000 -0.04585 0.00000 0.00000 0.06621 146 4PX 0.00276 0.00000 0.17567 -0.10722 0.00000 147 4PY 0.00000 -0.04221 0.00000 0.00000 -0.08296 148 4PZ 0.00000 -0.09097 0.00000 0.00000 -0.03573 149 5S 0.00000 -0.08207 0.00000 0.00000 1.72078 150 5PX -0.00106 0.00000 0.03899 -0.04627 0.00000 151 5PY 0.00000 0.04928 0.00000 0.00000 0.23497 152 5PZ 0.00000 0.08340 0.00000 0.00000 -0.41298 153 6D 0 0.00000 0.01112 0.00000 0.00000 0.00380 154 6D+1 0.00047 0.00000 -0.00631 -0.00657 0.00000 155 6D-1 0.00000 0.00166 0.00000 0.00000 0.00326 156 6D+2 0.00000 0.00713 0.00000 0.00000 0.00189 157 6D-2 0.00029 0.00000 0.00021 -0.00562 0.00000 158 7D 0 0.00000 0.03235 0.00000 0.00000 0.01217 159 7D+1 0.00102 0.00000 -0.01479 -0.02362 0.00000 160 7D-1 0.00000 0.02690 0.00000 0.00000 0.00944 161 7D+2 0.00000 0.01768 0.00000 0.00000 0.00290 162 7D-2 0.00106 0.00000 -0.00714 -0.01626 0.00000 163 7 H 1S 0.00000 -0.04076 0.00000 0.00000 -0.00523 164 2S 0.00000 -0.05025 0.00000 0.00000 -0.01832 165 3S 0.00000 -0.07118 0.00000 0.00000 -0.09490 166 4PX 0.00043 0.00000 0.01178 -0.00745 0.00000 167 4PY 0.00000 -0.00366 0.00000 0.00000 0.00271 168 4PZ 0.00000 -0.00216 0.00000 0.00000 -0.00471 169 8 Mg 1S 0.00000 0.01036 0.00000 0.00000 -0.01329 170 2S 0.00000 0.02812 0.00000 0.00000 -0.03605 171 3S 0.00000 -0.07358 0.00000 0.00000 0.09456 172 4S 0.00000 -0.10102 0.00000 0.00000 0.14060 173 5S 0.00000 0.25498 0.00000 0.00000 -0.37261 174 6S 0.00000 -0.03842 0.00000 0.00000 -0.94043 175 7S 0.00000 -0.00173 0.00000 0.00000 -0.39833 176 7PX 0.00071 0.00000 0.00000 0.00246 0.00000 177 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 7PZ 0.00000 0.00792 0.00000 0.00000 0.01492 179 8PX -0.01976 0.00000 0.00000 0.01305 0.00000 180 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 8PZ 0.00000 0.06127 0.00000 0.00000 0.01504 182 9PX -0.02755 0.00000 0.00000 0.01810 0.00000 183 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 9PZ 0.00000 0.08330 0.00000 0.00000 0.02084 185 10PX 0.03731 0.00000 0.00000 -0.02309 0.00000 186 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 187 10PZ 0.00000 -0.10957 0.00000 0.00000 -0.03129 188 11PX 0.04637 0.00000 0.00000 -0.03789 0.00000 189 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 11PZ 0.00000 -0.04263 0.00000 0.00000 -0.05632 191 12PX 0.00932 0.00000 0.00000 -0.01169 0.00000 192 12PY 0.00000 0.00000 0.00000 0.00000 0.00000 193 12PZ 0.00000 -0.00473 0.00000 0.00000 -0.23793 194 13D 0 0.00000 0.01653 0.00000 0.00000 0.08131 195 13D+1 0.02415 0.00000 0.00000 0.01850 0.00000 196 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 197 13D+2 0.00000 0.00108 0.00000 0.00000 0.00201 198 13D-2 0.00000 0.00000 -0.00170 0.00000 0.00000 199 14D 0 0.00000 0.02299 0.00000 0.00000 0.13329 200 14D+1 0.03039 0.00000 0.00000 0.02767 0.00000 201 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000 202 14D+2 0.00000 0.00454 0.00000 0.00000 -0.00127 203 14D-2 0.00000 0.00000 -0.00566 0.00000 0.00000 204 9 Br 1S 0.00000 0.00003 0.00000 0.00000 -0.00301 205 2S 0.00000 0.00009 0.00000 0.00000 -0.00975 206 3S 0.00000 -0.00019 0.00000 0.00000 0.02640 207 4S 0.00000 -0.00049 0.00000 0.00000 0.03268 208 5S 0.00000 0.00122 0.00000 0.00000 -0.06540 209 6S 0.00000 -0.00066 0.00000 0.00000 -0.08738 210 7S 0.00000 0.00828 0.00000 0.00000 0.19681 211 8S 0.00000 -0.03744 0.00000 0.00000 0.16598 212 9S 0.00000 0.00804 0.00000 0.00000 0.32085 213 9PX 0.02225 0.00000 0.00000 0.00375 0.00000 214 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 215 9PZ 0.00000 -0.00184 0.00000 0.00000 -0.17621 216 10PX 0.01347 0.00000 0.00000 0.00093 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00429 0.00000 0.00000 -0.00413 219 11PX 0.11112 0.00000 0.00000 0.00770 0.00000 220 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.03539 0.00000 0.00000 -0.03405 222 12PX -0.29030 0.00000 0.00000 -0.02012 0.00000 223 12PY 0.00000 0.00000 0.00000 0.00000 0.00000 224 12PZ 0.00000 -0.09258 0.00000 0.00000 0.08940 225 13PX -0.10547 0.00000 0.00000 -0.00729 0.00000 226 13PY 0.00000 0.00000 0.00000 0.00000 0.00000 227 13PZ 0.00000 -0.03227 0.00000 0.00000 0.03461 228 14PX 0.23640 0.00000 0.00000 0.01634 0.00000 229 14PY 0.00000 0.00000 0.00000 0.00000 0.00000 230 14PZ 0.00000 0.07220 0.00000 0.00000 -0.07970 231 15PX 0.54619 0.00000 0.00000 0.03916 0.00000 232 15PY 0.00000 0.00000 0.00000 0.00000 0.00000 233 15PZ 0.00000 0.18064 0.00000 0.00000 -0.18508 234 16PX 0.36183 0.00000 0.00000 0.01912 0.00000 235 16PY 0.00000 0.00000 0.00000 0.00000 0.00000 236 16PZ 0.00000 0.13430 0.00000 0.00000 -0.15502 237 17D 0 0.00000 0.00144 0.00000 0.00000 0.00586 238 17D+1 0.00759 0.00000 0.00000 -0.00010 0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00000 0.00000 240 17D+2 0.00000 -0.00002 0.00000 0.00000 -0.00018 241 17D-2 0.00000 0.00000 0.00003 0.00000 0.00000 242 18D 0 0.00000 0.00035 0.00000 0.00000 0.00099 243 18D+1 0.00236 0.00000 0.00000 0.00051 0.00000 244 18D-1 0.00000 0.00000 0.00000 0.00000 0.00000 245 18D+2 0.00000 -0.00006 0.00000 0.00000 0.00004 246 18D-2 0.00000 0.00000 0.00012 0.00000 0.00000 247 19D 0 0.00000 -0.00073 0.00000 0.00000 -0.00211 248 19D+1 -0.00488 0.00000 0.00000 -0.00096 0.00000 249 19D-1 0.00000 0.00000 0.00000 0.00000 0.00000 250 19D+2 0.00000 0.00011 0.00000 0.00000 -0.00005 251 19D-2 0.00000 0.00000 -0.00022 0.00000 0.00000 252 20D 0 0.00000 -0.01017 0.00000 0.00000 -0.01579 253 20D+1 -0.03135 0.00000 0.00000 0.00211 0.00000 254 20D-1 0.00000 0.00000 0.00000 0.00000 0.00000 255 20D+2 0.00000 -0.00016 0.00000 0.00000 0.00101 256 20D-2 0.00000 0.00000 0.00038 0.00000 0.00000 257 10 H 1S 0.00000 -0.04076 0.00000 0.00000 -0.00523 258 2S 0.00000 -0.05025 0.00000 0.00000 -0.01832 259 3S 0.00000 -0.07118 0.00000 0.00000 -0.09490 260 4PX 0.00043 0.00000 -0.01178 -0.00745 0.00000 261 4PY 0.00000 0.00366 0.00000 0.00000 -0.00271 262 4PZ 0.00000 -0.00216 0.00000 0.00000 -0.00471 263 11 H 1S 0.00000 -0.03205 0.00000 0.00000 -0.00953 264 2S 0.00000 -0.05899 0.00000 0.00000 -0.02052 265 3S 0.00000 -0.03802 0.00000 0.00000 -0.03346 266 4PX -0.00052 0.00000 -0.01188 0.00665 0.00000 267 4PY 0.00000 0.00483 0.00000 0.00000 -0.00062 268 4PZ 0.00000 0.00220 0.00000 0.00000 0.00157 269 12 H 1S 0.00000 0.03469 0.00000 0.00000 -0.00216 270 2S 0.00000 0.06597 0.00000 0.00000 -0.00190 271 3S 0.00000 0.04080 0.00000 0.00000 -0.01006 272 4PX -0.00071 0.00000 0.00000 0.01337 0.00000 273 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4PZ 0.00000 0.00425 0.00000 0.00000 0.00153 275 13 H 1S 0.00000 -0.03205 0.00000 0.00000 -0.00953 276 2S 0.00000 -0.05899 0.00000 0.00000 -0.02052 277 3S 0.00000 -0.03802 0.00000 0.00000 -0.03346 278 4PX -0.00052 0.00000 0.01188 0.00665 0.00000 279 4PY 0.00000 -0.00483 0.00000 0.00000 0.00062 280 4PZ 0.00000 0.00220 0.00000 0.00000 0.00157 46 47 48 49 50 (B1)--V (B2)--V (A2)--V (B1)--V (A1)--V Eigenvalues -- -0.03813 -0.02439 -0.01983 -0.00205 -0.00137 1 1 C 1S 0.00000 -0.00451 0.00000 0.00000 0.01147 2 2S 0.00000 -0.00736 0.00000 0.00000 0.01888 3 2PX -0.05014 0.00000 0.13692 -0.04709 0.00000 4 2PY 0.00000 0.00454 0.00000 0.00000 0.02541 5 2PZ 0.00000 0.01642 0.00000 0.00000 0.01872 6 3S 0.00000 0.01913 0.00000 0.00000 -0.05948 7 3PX -0.07344 0.00000 0.20351 -0.07182 0.00000 8 3PY 0.00000 0.00920 0.00000 0.00000 0.03887 9 3PZ 0.00000 0.02646 0.00000 0.00000 0.03515 10 4S 0.00000 0.13286 0.00000 0.00000 -0.19656 11 4PX -0.11496 0.00000 0.31436 -0.10675 0.00000 12 4PY 0.00000 -0.01845 0.00000 0.00000 -0.02971 13 4PZ 0.00000 0.09068 0.00000 0.00000 0.04120 14 5S 0.00000 0.85065 0.00000 0.00000 1.35534 15 5PX -0.15357 0.00000 0.48538 -0.19927 0.00000 16 5PY 0.00000 0.18169 0.00000 0.00000 -0.85423 17 5PZ 0.00000 -0.13051 0.00000 0.00000 0.82211 18 6D 0 0.00000 -0.00044 0.00000 0.00000 -0.00274 19 6D+1 -0.00882 0.00000 -0.00831 -0.00529 0.00000 20 6D-1 0.00000 0.00130 0.00000 0.00000 0.00221 21 6D+2 0.00000 0.00020 0.00000 0.00000 -0.00038 22 6D-2 0.00608 0.00000 0.00079 0.00534 0.00000 23 7D 0 0.00000 0.00041 0.00000 0.00000 -0.00167 24 7D+1 -0.02273 0.00000 -0.02755 -0.00864 0.00000 25 7D-1 0.00000 0.00168 0.00000 0.00000 0.00467 26 7D+2 0.00000 0.00059 0.00000 0.00000 0.01039 27 7D-2 0.01708 0.00000 -0.00767 0.02040 0.00000 28 2 C 1S 0.00000 0.00000 0.00000 0.00000 0.01047 29 2S 0.00000 0.00000 0.00000 0.00000 0.01744 30 2PX 0.12027 0.00000 0.00000 0.09517 0.00000 31 2PY 0.00000 0.00862 0.00000 0.00000 0.00000 32 2PZ 0.00000 0.00000 0.00000 0.00000 0.03180 33 3S 0.00000 0.00000 0.00000 0.00000 -0.06336 34 3PX 0.18018 0.00000 0.00000 0.14123 0.00000 35 3PY 0.00000 0.01422 0.00000 0.00000 0.00000 36 3PZ 0.00000 0.00000 0.00000 0.00000 0.06097 37 4S 0.00000 0.00000 0.00000 0.00000 0.09895 38 4PX 0.26405 0.00000 0.00000 0.22396 0.00000 39 4PY 0.00000 -0.00384 0.00000 0.00000 0.00000 40 4PZ 0.00000 0.00000 0.00000 0.00000 0.13400 41 5S 0.00000 0.00000 0.00000 0.00000 2.75900 42 5PX 0.33479 0.00000 0.00000 0.37099 0.00000 43 5PY 0.00000 0.39754 0.00000 0.00000 0.00000 44 5PZ 0.00000 0.00000 0.00000 0.00000 -0.18786 45 6D 0 0.00000 0.00000 0.00000 0.00000 0.00321 46 6D+1 -0.00270 0.00000 0.00000 -0.00236 0.00000 47 6D-1 0.00000 -0.00154 0.00000 0.00000 0.00000 48 6D+2 0.00000 0.00000 0.00000 0.00000 0.00315 49 6D-2 0.00000 0.00000 -0.01546 0.00000 0.00000 50 7D 0 0.00000 0.00000 0.00000 0.00000 0.00322 51 7D+1 -0.01703 0.00000 0.00000 -0.01329 0.00000 52 7D-1 0.00000 -0.00253 0.00000 0.00000 0.00000 53 7D+2 0.00000 0.00000 0.00000 0.00000 0.01010 54 7D-2 0.00000 0.00000 -0.03973 0.00000 0.00000 55 3 C 1S 0.00000 0.00451 0.00000 0.00000 0.01147 56 2S 0.00000 0.00736 0.00000 0.00000 0.01888 57 2PX -0.05014 0.00000 -0.13692 -0.04709 0.00000 58 2PY 0.00000 0.00454 0.00000 0.00000 -0.02541 59 2PZ 0.00000 -0.01642 0.00000 0.00000 0.01872 60 3S 0.00000 -0.01913 0.00000 0.00000 -0.05948 61 3PX -0.07344 0.00000 -0.20351 -0.07182 0.00000 62 3PY 0.00000 0.00920 0.00000 0.00000 -0.03887 63 3PZ 0.00000 -0.02646 0.00000 0.00000 0.03515 64 4S 0.00000 -0.13286 0.00000 0.00000 -0.19656 65 4PX -0.11496 0.00000 -0.31436 -0.10675 0.00000 66 4PY 0.00000 -0.01845 0.00000 0.00000 0.02971 67 4PZ 0.00000 -0.09068 0.00000 0.00000 0.04120 68 5S 0.00000 -0.85065 0.00000 0.00000 1.35534 69 5PX -0.15357 0.00000 -0.48538 -0.19927 0.00000 70 5PY 0.00000 0.18169 0.00000 0.00000 0.85423 71 5PZ 0.00000 0.13051 0.00000 0.00000 0.82211 72 6D 0 0.00000 0.00044 0.00000 0.00000 -0.00274 73 6D+1 -0.00882 0.00000 0.00831 -0.00529 0.00000 74 6D-1 0.00000 0.00130 0.00000 0.00000 -0.00221 75 6D+2 0.00000 -0.00020 0.00000 0.00000 -0.00038 76 6D-2 -0.00608 0.00000 0.00079 -0.00534 0.00000 77 7D 0 0.00000 -0.00041 0.00000 0.00000 -0.00167 78 7D+1 -0.02273 0.00000 0.02755 -0.00864 0.00000 79 7D-1 0.00000 0.00168 0.00000 0.00000 -0.00467 80 7D+2 0.00000 -0.00059 0.00000 0.00000 0.01039 81 7D-2 -0.01708 0.00000 -0.00767 -0.02040 0.00000 82 4 C 1S 0.00000 -0.01411 0.00000 0.00000 0.01082 83 2S 0.00000 -0.02296 0.00000 0.00000 0.01777 84 2PX -0.08073 0.00000 0.13352 -0.02207 0.00000 85 2PY 0.00000 0.01800 0.00000 0.00000 -0.00919 86 2PZ 0.00000 0.02524 0.00000 0.00000 -0.01152 87 3S 0.00000 0.06858 0.00000 0.00000 -0.05656 88 3PX -0.12153 0.00000 0.19823 -0.02866 0.00000 89 3PY 0.00000 0.02893 0.00000 0.00000 -0.01183 90 3PZ 0.00000 0.03754 0.00000 0.00000 -0.00963 91 4S 0.00000 0.13688 0.00000 0.00000 -0.08917 92 4PX -0.16112 0.00000 0.30666 -0.07806 0.00000 93 4PY 0.00000 0.12909 0.00000 0.00000 -0.12337 94 4PZ 0.00000 -0.08395 0.00000 0.00000 -0.07339 95 5S 0.00000 0.98915 0.00000 0.00000 -2.29703 96 5PX -0.14163 0.00000 0.51312 -0.27462 0.00000 97 5PY 0.00000 -0.25051 0.00000 0.00000 -0.41577 98 5PZ 0.00000 0.04930 0.00000 0.00000 1.29262 99 6D 0 0.00000 -0.00292 0.00000 0.00000 -0.00068 100 6D+1 0.00715 0.00000 0.00836 0.00681 0.00000 101 6D-1 0.00000 -0.00092 0.00000 0.00000 0.00191 102 6D+2 0.00000 -0.00161 0.00000 0.00000 0.00148 103 6D-2 -0.00432 0.00000 -0.00042 -0.00666 0.00000 104 7D 0 0.00000 -0.00034 0.00000 0.00000 -0.01353 105 7D+1 0.01811 0.00000 0.02896 0.01336 0.00000 106 7D-1 0.00000 0.00344 0.00000 0.00000 0.00915 107 7D+2 0.00000 0.00250 0.00000 0.00000 -0.00542 108 7D-2 -0.01564 0.00000 0.00907 -0.02514 0.00000 109 5 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00191 110 2S 0.00000 0.00000 0.00000 0.00000 -0.00312 111 2PX 0.08841 0.00000 0.00000 0.12122 0.00000 112 2PY 0.00000 0.00506 0.00000 0.00000 0.00000 113 2PZ 0.00000 0.00000 0.00000 0.00000 0.02231 114 3S 0.00000 0.00000 0.00000 0.00000 0.01041 115 3PX 0.12951 0.00000 0.00000 0.18209 0.00000 116 3PY 0.00000 0.01180 0.00000 0.00000 0.00000 117 3PZ 0.00000 0.00000 0.00000 0.00000 0.03039 118 4S 0.00000 0.00000 0.00000 0.00000 -0.06786 119 4PX 0.20453 0.00000 0.00000 0.27969 0.00000 120 4PY 0.00000 0.13774 0.00000 0.00000 0.00000 121 4PZ 0.00000 0.00000 0.00000 0.00000 0.21138 122 5S 0.00000 0.00000 0.00000 0.00000 1.91934 123 5PX 0.21587 0.00000 0.00000 0.64438 0.00000 124 5PY 0.00000 -0.37978 0.00000 0.00000 0.00000 125 5PZ 0.00000 0.00000 0.00000 0.00000 -0.20010 126 6D 0 0.00000 0.00000 0.00000 0.00000 0.00161 127 6D+1 0.00602 0.00000 0.00000 -0.00218 0.00000 128 6D-1 0.00000 -0.00498 0.00000 0.00000 0.00000 129 6D+2 0.00000 0.00000 0.00000 0.00000 0.00359 130 6D-2 0.00000 0.00000 0.01427 0.00000 0.00000 131 7D 0 0.00000 0.00000 0.00000 0.00000 -0.01152 132 7D+1 0.03101 0.00000 0.00000 0.00658 0.00000 133 7D-1 0.00000 -0.02571 0.00000 0.00000 0.00000 134 7D+2 0.00000 0.00000 0.00000 0.00000 0.00039 135 7D-2 0.00000 0.00000 0.03996 0.00000 0.00000 136 6 C 1S 0.00000 0.01411 0.00000 0.00000 0.01082 137 2S 0.00000 0.02296 0.00000 0.00000 0.01777 138 2PX -0.08073 0.00000 -0.13352 -0.02207 0.00000 139 2PY 0.00000 0.01800 0.00000 0.00000 0.00919 140 2PZ 0.00000 -0.02524 0.00000 0.00000 -0.01152 141 3S 0.00000 -0.06858 0.00000 0.00000 -0.05656 142 3PX -0.12153 0.00000 -0.19823 -0.02866 0.00000 143 3PY 0.00000 0.02893 0.00000 0.00000 0.01183 144 3PZ 0.00000 -0.03754 0.00000 0.00000 -0.00963 145 4S 0.00000 -0.13688 0.00000 0.00000 -0.08917 146 4PX -0.16112 0.00000 -0.30666 -0.07806 0.00000 147 4PY 0.00000 0.12909 0.00000 0.00000 0.12337 148 4PZ 0.00000 0.08395 0.00000 0.00000 -0.07339 149 5S 0.00000 -0.98915 0.00000 0.00000 -2.29703 150 5PX -0.14163 0.00000 -0.51312 -0.27462 0.00000 151 5PY 0.00000 -0.25051 0.00000 0.00000 0.41577 152 5PZ 0.00000 -0.04930 0.00000 0.00000 1.29262 153 6D 0 0.00000 0.00292 0.00000 0.00000 -0.00068 154 6D+1 0.00715 0.00000 -0.00836 0.00681 0.00000 155 6D-1 0.00000 -0.00092 0.00000 0.00000 -0.00191 156 6D+2 0.00000 0.00161 0.00000 0.00000 0.00148 157 6D-2 0.00432 0.00000 -0.00042 0.00666 0.00000 158 7D 0 0.00000 0.00034 0.00000 0.00000 -0.01353 159 7D+1 0.01811 0.00000 -0.02896 0.01336 0.00000 160 7D-1 0.00000 0.00344 0.00000 0.00000 -0.00915 161 7D+2 0.00000 -0.00250 0.00000 0.00000 -0.00542 162 7D-2 0.01564 0.00000 0.00907 0.02514 0.00000 163 7 H 1S 0.00000 -0.01359 0.00000 0.00000 -0.00190 164 2S 0.00000 -0.01497 0.00000 0.00000 0.00689 165 3S 0.00000 0.10319 0.00000 0.00000 0.14593 166 4PX -0.00753 0.00000 -0.01683 -0.00592 0.00000 167 4PY 0.00000 -0.00578 0.00000 0.00000 -0.00647 168 4PZ 0.00000 0.00761 0.00000 0.00000 0.00196 169 8 Mg 1S 0.00000 0.00000 0.00000 0.00000 -0.00366 170 2S 0.00000 0.00000 0.00000 0.00000 -0.00984 171 3S 0.00000 0.00000 0.00000 0.00000 0.02489 172 4S 0.00000 0.00000 0.00000 0.00000 0.04428 173 5S 0.00000 0.00000 0.00000 0.00000 -0.04335 174 6S 0.00000 0.00000 0.00000 0.00000 -1.47686 175 7S 0.00000 0.00000 0.00000 0.00000 0.95222 176 7PX 0.09858 0.00000 0.00000 -0.58583 0.00000 177 7PY 0.00000 -0.34237 0.00000 0.00000 0.00000 178 7PZ 0.00000 0.00000 0.00000 0.00000 -1.20338 179 8PX -0.06144 0.00000 0.00000 0.02775 0.00000 180 8PY 0.00000 0.07056 0.00000 0.00000 0.00000 181 8PZ 0.00000 0.00000 0.00000 0.00000 0.00944 182 9PX -0.08401 0.00000 0.00000 0.03641 0.00000 183 9PY 0.00000 0.09677 0.00000 0.00000 0.00000 184 9PZ 0.00000 0.00000 0.00000 0.00000 0.01302 185 10PX 0.11654 0.00000 0.00000 -0.03199 0.00000 186 10PY 0.00000 -0.13746 0.00000 0.00000 0.00000 187 10PZ 0.00000 0.00000 0.00000 0.00000 -0.01642 188 11PX 0.30631 0.00000 0.00000 -0.24198 0.00000 189 11PY 0.00000 -0.37730 0.00000 0.00000 0.00000 190 11PZ 0.00000 0.00000 0.00000 0.00000 0.05490 191 12PX 0.32366 0.00000 0.00000 -0.38855 0.00000 192 12PY 0.00000 -0.46655 0.00000 0.00000 0.00000 193 12PZ 0.00000 0.00000 0.00000 0.00000 2.47562 194 13D 0 0.00000 0.00000 0.00000 0.00000 0.01883 195 13D+1 -0.01896 0.00000 0.00000 -0.02208 0.00000 196 13D-1 0.00000 0.00682 0.00000 0.00000 0.00000 197 13D+2 0.00000 0.00000 0.00000 0.00000 -0.00074 198 13D-2 0.00000 0.00000 0.01275 0.00000 0.00000 199 14D 0 0.00000 0.00000 0.00000 0.00000 -0.18213 200 14D+1 -0.03161 0.00000 0.00000 -0.01071 0.00000 201 14D-1 0.00000 -0.01575 0.00000 0.00000 0.00000 202 14D+2 0.00000 0.00000 0.00000 0.00000 0.03350 203 14D-2 0.00000 0.00000 0.05422 0.00000 0.00000 204 9 Br 1S 0.00000 0.00000 0.00000 0.00000 -0.00151 205 2S 0.00000 0.00000 0.00000 0.00000 -0.00488 206 3S 0.00000 0.00000 0.00000 0.00000 0.01311 207 4S 0.00000 0.00000 0.00000 0.00000 0.01696 208 5S 0.00000 0.00000 0.00000 0.00000 -0.03479 209 6S 0.00000 0.00000 0.00000 0.00000 -0.04022 210 7S 0.00000 0.00000 0.00000 0.00000 0.07748 211 8S 0.00000 0.00000 0.00000 0.00000 0.24002 212 9S 0.00000 0.00000 0.00000 0.00000 -1.67147 213 9PX -0.09380 0.00000 0.00000 0.18007 0.00000 214 9PY 0.00000 0.17482 0.00000 0.00000 0.00000 215 9PZ 0.00000 0.00000 0.00000 0.00000 0.65231 216 10PX -0.00225 0.00000 0.00000 0.00232 0.00000 217 10PY 0.00000 0.00328 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00000 0.00000 -0.00073 219 11PX -0.01854 0.00000 0.00000 0.01920 0.00000 220 11PY 0.00000 0.02708 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00000 0.00000 0.00000 -0.00603 222 12PX 0.04877 0.00000 0.00000 -0.05070 0.00000 223 12PY 0.00000 -0.07131 0.00000 0.00000 0.00000 224 12PZ 0.00000 0.00000 0.00000 0.00000 0.01593 225 13PX 0.01830 0.00000 0.00000 -0.01749 0.00000 226 13PY 0.00000 -0.02619 0.00000 0.00000 0.00000 227 13PZ 0.00000 0.00000 0.00000 0.00000 0.00538 228 14PX -0.04302 0.00000 0.00000 0.04173 0.00000 229 14PY 0.00000 0.06191 0.00000 0.00000 0.00000 230 14PZ 0.00000 0.00000 0.00000 0.00000 -0.01246 231 15PX -0.09853 0.00000 0.00000 0.10967 0.00000 232 15PY 0.00000 0.14627 0.00000 0.00000 0.00000 233 15PZ 0.00000 0.00000 0.00000 0.00000 -0.03669 234 16PX -0.09239 0.00000 0.00000 0.09133 0.00000 235 16PY 0.00000 0.14446 0.00000 0.00000 0.00000 236 16PZ 0.00000 0.00000 0.00000 0.00000 -0.11358 237 17D 0 0.00000 0.00000 0.00000 0.00000 0.00245 238 17D+1 0.01142 0.00000 0.00000 -0.01102 0.00000 239 17D-1 0.00000 -0.01687 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00000 0.00000 -0.00007 241 17D-2 0.00000 0.00000 -0.00122 0.00000 0.00000 242 18D 0 0.00000 0.00000 0.00000 0.00000 0.00102 243 18D+1 0.00465 0.00000 0.00000 -0.00504 0.00000 244 18D-1 0.00000 -0.00770 0.00000 0.00000 0.00000 245 18D+2 0.00000 0.00000 0.00000 0.00000 -0.00034 246 18D-2 0.00000 0.00000 -0.00065 0.00000 0.00000 247 19D 0 0.00000 0.00000 0.00000 0.00000 -0.00223 248 19D+1 -0.01008 0.00000 0.00000 0.01093 0.00000 249 19D-1 0.00000 0.01656 0.00000 0.00000 0.00000 250 19D+2 0.00000 0.00000 0.00000 0.00000 0.00064 251 19D-2 0.00000 0.00000 0.00137 0.00000 0.00000 252 20D 0 0.00000 0.00000 0.00000 0.00000 -0.00024 253 20D+1 -0.03164 0.00000 0.00000 0.02880 0.00000 254 20D-1 0.00000 0.04263 0.00000 0.00000 0.00000 255 20D+2 0.00000 0.00000 0.00000 0.00000 -0.00135 256 20D-2 0.00000 0.00000 0.00294 0.00000 0.00000 257 10 H 1S 0.00000 0.01359 0.00000 0.00000 -0.00190 258 2S 0.00000 0.01497 0.00000 0.00000 0.00689 259 3S 0.00000 -0.10319 0.00000 0.00000 0.14593 260 4PX -0.00753 0.00000 0.01683 -0.00592 0.00000 261 4PY 0.00000 -0.00578 0.00000 0.00000 0.00647 262 4PZ 0.00000 -0.00761 0.00000 0.00000 0.00196 263 11 H 1S 0.00000 0.00106 0.00000 0.00000 -0.00440 264 2S 0.00000 0.00180 0.00000 0.00000 0.01976 265 3S 0.00000 0.01794 0.00000 0.00000 -0.05746 266 4PX -0.00579 0.00000 -0.01656 -0.00702 0.00000 267 4PY 0.00000 -0.00082 0.00000 0.00000 0.00764 268 4PZ 0.00000 -0.00077 0.00000 0.00000 -0.00327 269 12 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00268 270 2S 0.00000 0.00000 0.00000 0.00000 0.04688 271 3S 0.00000 0.00000 0.00000 0.00000 -0.09470 272 4PX 0.01429 0.00000 0.00000 0.01148 0.00000 273 4PY 0.00000 0.00150 0.00000 0.00000 0.00000 274 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00740 275 13 H 1S 0.00000 -0.00106 0.00000 0.00000 -0.00440 276 2S 0.00000 -0.00180 0.00000 0.00000 0.01976 277 3S 0.00000 -0.01794 0.00000 0.00000 -0.05746 278 4PX -0.00579 0.00000 0.01656 -0.00702 0.00000 279 4PY 0.00000 -0.00082 0.00000 0.00000 -0.00764 280 4PZ 0.00000 0.00077 0.00000 0.00000 -0.00327 51 52 53 54 55 (B2)--V (A1)--V (A1)--V (B1)--V (B2)--V Eigenvalues -- 0.01526 0.01813 0.02686 0.03124 0.03707 1 1 C 1S -0.01138 0.00098 0.00436 0.00000 -0.01120 2 2S -0.01870 0.00173 0.00734 0.00000 -0.01860 3 2PX 0.00000 0.00000 0.00000 -0.04457 0.00000 4 2PY -0.02915 0.00181 0.02500 0.00000 -0.03534 5 2PZ -0.00710 -0.00591 0.00883 0.00000 -0.02137 6 3S 0.05621 -0.00958 -0.02929 0.00000 0.06228 7 3PX 0.00000 0.00000 0.00000 -0.06762 0.00000 8 3PY -0.05698 0.00234 0.04293 0.00000 -0.07260 9 3PZ -0.01399 -0.00938 0.02806 0.00000 -0.04471 10 4S 0.19560 0.10954 0.15554 0.00000 0.04081 11 4PX 0.00000 0.00000 0.00000 -0.11504 0.00000 12 4PY -0.01607 0.07530 0.07911 0.00000 0.00797 13 4PZ 0.08157 0.02175 0.07150 0.00000 0.01223 14 5S 1.54408 3.78688 3.47953 0.00000 4.59508 15 5PX 0.00000 0.00000 0.00000 -0.06083 0.00000 16 5PY 0.50643 0.25354 -0.76446 0.00000 2.04121 17 5PZ 0.99809 0.60781 0.86047 0.00000 1.60543 18 6D 0 -0.00060 0.00017 -0.00159 0.00000 -0.00116 19 6D+1 0.00000 0.00000 0.00000 -0.00220 0.00000 20 6D-1 -0.00112 0.00192 0.00240 0.00000 -0.00119 21 6D+2 0.00046 -0.00040 -0.00134 0.00000 0.00011 22 6D-2 0.00000 0.00000 0.00000 0.00242 0.00000 23 7D 0 0.00615 -0.00040 0.00923 0.00000 0.00441 24 7D+1 0.00000 0.00000 0.00000 -0.00769 0.00000 25 7D-1 0.01087 0.00978 0.00833 0.00000 0.00747 26 7D+2 -0.00767 -0.00531 -0.00293 0.00000 -0.00603 27 7D-2 0.00000 0.00000 0.00000 0.00901 0.00000 28 2 C 1S 0.00000 0.00396 0.01634 0.00000 0.00000 29 2S 0.00000 0.00648 0.02715 0.00000 0.00000 30 2PX 0.00000 0.00000 0.00000 0.04045 0.00000 31 2PY 0.00693 0.00000 0.00000 0.00000 0.00440 32 2PZ 0.00000 0.00300 0.05794 0.00000 0.00000 33 3S 0.00000 -0.01802 -0.08914 0.00000 0.00000 34 3PX 0.00000 0.00000 0.00000 0.06072 0.00000 35 3PY 0.00414 0.00000 0.00000 0.00000 -0.00649 36 3PZ 0.00000 0.00302 0.11101 0.00000 0.00000 37 4S 0.00000 -0.13909 -0.16066 0.00000 0.00000 38 4PX 0.00000 0.00000 0.00000 0.10895 0.00000 39 4PY -0.00446 0.00000 0.00000 0.00000 0.04080 40 4PZ 0.00000 -0.06449 0.00506 0.00000 0.00000 41 5S 0.00000 -2.51556 -0.68537 0.00000 0.00000 42 5PX 0.00000 0.00000 0.00000 0.28268 0.00000 43 5PY -0.61961 0.00000 0.00000 0.00000 -0.16165 44 5PZ 0.00000 -0.75677 -1.91380 0.00000 0.00000 45 6D 0 0.00000 0.00066 0.00298 0.00000 0.00000 46 6D+1 0.00000 0.00000 0.00000 -0.00260 0.00000 47 6D-1 0.00036 0.00000 0.00000 0.00000 0.00015 48 6D+2 0.00000 -0.00048 0.00010 0.00000 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00000 -0.00110 0.00046 0.00000 0.00000 51 7D+1 0.00000 0.00000 0.00000 -0.01146 0.00000 52 7D-1 -0.00556 0.00000 0.00000 0.00000 -0.00507 53 7D+2 0.00000 -0.00159 0.00821 0.00000 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.01138 0.00098 0.00436 0.00000 0.01120 56 2S 0.01870 0.00173 0.00734 0.00000 0.01860 57 2PX 0.00000 0.00000 0.00000 -0.04457 0.00000 58 2PY -0.02915 -0.00181 -0.02500 0.00000 -0.03534 59 2PZ 0.00710 -0.00591 0.00883 0.00000 0.02137 60 3S -0.05621 -0.00958 -0.02929 0.00000 -0.06228 61 3PX 0.00000 0.00000 0.00000 -0.06762 0.00000 62 3PY -0.05698 -0.00234 -0.04293 0.00000 -0.07260 63 3PZ 0.01399 -0.00938 0.02806 0.00000 0.04471 64 4S -0.19560 0.10954 0.15554 0.00000 -0.04081 65 4PX 0.00000 0.00000 0.00000 -0.11504 0.00000 66 4PY -0.01607 -0.07530 -0.07911 0.00000 0.00797 67 4PZ -0.08157 0.02175 0.07150 0.00000 -0.01223 68 5S -1.54408 3.78688 3.47953 0.00000 -4.59508 69 5PX 0.00000 0.00000 0.00000 -0.06083 0.00000 70 5PY 0.50643 -0.25354 0.76446 0.00000 2.04121 71 5PZ -0.99809 0.60781 0.86047 0.00000 -1.60543 72 6D 0 0.00060 0.00017 -0.00159 0.00000 0.00116 73 6D+1 0.00000 0.00000 0.00000 -0.00220 0.00000 74 6D-1 -0.00112 -0.00192 -0.00240 0.00000 -0.00119 75 6D+2 -0.00046 -0.00040 -0.00134 0.00000 -0.00011 76 6D-2 0.00000 0.00000 0.00000 -0.00242 0.00000 77 7D 0 -0.00615 -0.00040 0.00923 0.00000 -0.00441 78 7D+1 0.00000 0.00000 0.00000 -0.00769 0.00000 79 7D-1 0.01087 -0.00978 -0.00833 0.00000 0.00747 80 7D+2 0.00767 -0.00531 -0.00293 0.00000 0.00603 81 7D-2 0.00000 0.00000 0.00000 -0.00901 0.00000 82 4 C 1S -0.00249 -0.00200 -0.00522 0.00000 0.00249 83 2S -0.00415 -0.00332 -0.00850 0.00000 0.00417 84 2PX 0.00000 0.00000 0.00000 -0.00780 0.00000 85 2PY -0.02465 -0.01096 0.00936 0.00000 -0.01346 86 2PZ -0.00268 0.00231 0.01001 0.00000 -0.01690 87 3S 0.01009 0.01192 0.02656 0.00000 -0.01634 88 3PX 0.00000 0.00000 0.00000 -0.01400 0.00000 89 3PY -0.03558 -0.01656 0.01759 0.00000 -0.03492 90 3PZ -0.00072 0.00066 0.02196 0.00000 -0.03043 91 4S 0.06376 -0.08200 -0.00012 0.00000 0.15907 92 4PX 0.00000 0.00000 0.00000 0.00133 0.00000 93 4PY -0.05788 0.07238 -0.04525 0.00000 -0.11083 94 4PZ -0.15904 0.06551 0.12731 0.00000 0.03658 95 5S -2.52752 -3.41774 -2.28270 0.00000 13.80769 96 5PX 0.00000 0.00000 0.00000 -0.33096 0.00000 97 5PY 0.75791 0.14380 -0.82486 0.00000 -2.16636 98 5PZ -1.27243 1.19410 1.55365 0.00000 1.44471 99 6D 0 -0.00224 -0.00161 0.00111 0.00000 0.00015 100 6D+1 0.00000 0.00000 0.00000 0.00438 0.00000 101 6D-1 0.00039 0.00248 0.00263 0.00000 0.00201 102 6D+2 -0.00066 -0.00172 0.00023 0.00000 0.00065 103 6D-2 0.00000 0.00000 0.00000 -0.00334 0.00000 104 7D 0 -0.00588 0.00312 -0.01090 0.00000 -0.00698 105 7D+1 0.00000 0.00000 0.00000 0.00745 0.00000 106 7D-1 0.01473 0.00312 0.00540 0.00000 0.00068 107 7D+2 -0.00091 0.00528 -0.01653 0.00000 -0.00380 108 7D-2 0.00000 0.00000 0.00000 -0.01409 0.00000 109 5 C 1S 0.00000 0.01630 0.00212 0.00000 0.00000 110 2S 0.00000 0.02677 0.00379 0.00000 0.00000 111 2PX 0.00000 0.00000 0.00000 0.06007 0.00000 112 2PY 0.00406 0.00000 0.00000 0.00000 -0.00797 113 2PZ 0.00000 -0.04710 0.01254 0.00000 0.00000 114 3S 0.00000 -0.08500 -0.01375 0.00000 0.00000 115 3PX 0.00000 0.00000 0.00000 0.09399 0.00000 116 3PY 0.00994 0.00000 0.00000 0.00000 -0.01970 117 3PZ 0.00000 -0.06926 0.02509 0.00000 0.00000 118 4S 0.00000 -0.04347 -0.12859 0.00000 0.00000 119 4PX 0.00000 0.00000 0.00000 0.10422 0.00000 120 4PY 0.07717 0.00000 0.00000 0.00000 -0.17853 121 4PZ 0.00000 -0.25873 0.11305 0.00000 0.00000 122 5S 0.00000 -1.81123 -3.33844 0.00000 0.00000 123 5PX 0.00000 0.00000 0.00000 0.65914 0.00000 124 5PY 3.16091 0.00000 0.00000 0.00000 -6.65301 125 5PZ 0.00000 -2.52418 -3.21568 0.00000 0.00000 126 6D 0 0.00000 0.00131 0.00014 0.00000 0.00000 127 6D+1 0.00000 0.00000 0.00000 -0.00255 0.00000 128 6D-1 -0.00587 0.00000 0.00000 0.00000 -0.00008 129 6D+2 0.00000 -0.00109 -0.00164 0.00000 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00000 0.01864 -0.00397 0.00000 0.00000 132 7D+1 0.00000 0.00000 0.00000 -0.00469 0.00000 133 7D-1 -0.01242 0.00000 0.00000 0.00000 0.01828 134 7D+2 0.00000 0.00269 -0.00756 0.00000 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S 0.00249 -0.00200 -0.00522 0.00000 -0.00249 137 2S 0.00415 -0.00332 -0.00850 0.00000 -0.00417 138 2PX 0.00000 0.00000 0.00000 -0.00780 0.00000 139 2PY -0.02465 0.01096 -0.00936 0.00000 -0.01346 140 2PZ 0.00268 0.00231 0.01001 0.00000 0.01690 141 3S -0.01009 0.01192 0.02656 0.00000 0.01634 142 3PX 0.00000 0.00000 0.00000 -0.01400 0.00000 143 3PY -0.03558 0.01656 -0.01759 0.00000 -0.03492 144 3PZ 0.00072 0.00066 0.02196 0.00000 0.03043 145 4S -0.06376 -0.08200 -0.00012 0.00000 -0.15907 146 4PX 0.00000 0.00000 0.00000 0.00133 0.00000 147 4PY -0.05788 -0.07238 0.04525 0.00000 -0.11083 148 4PZ 0.15904 0.06551 0.12731 0.00000 -0.03658 149 5S 2.52752 -3.41774 -2.28270 0.00000 -13.80769 150 5PX 0.00000 0.00000 0.00000 -0.33096 0.00000 151 5PY 0.75791 -0.14380 0.82486 0.00000 -2.16636 152 5PZ 1.27243 1.19410 1.55365 0.00000 -1.44471 153 6D 0 0.00224 -0.00161 0.00111 0.00000 -0.00015 154 6D+1 0.00000 0.00000 0.00000 0.00438 0.00000 155 6D-1 0.00039 -0.00248 -0.00263 0.00000 0.00201 156 6D+2 0.00066 -0.00172 0.00023 0.00000 -0.00065 157 6D-2 0.00000 0.00000 0.00000 0.00334 0.00000 158 7D 0 0.00588 0.00312 -0.01090 0.00000 0.00698 159 7D+1 0.00000 0.00000 0.00000 0.00745 0.00000 160 7D-1 0.01473 -0.00312 -0.00540 0.00000 0.00068 161 7D+2 0.00091 0.00528 -0.01653 0.00000 0.00380 162 7D-2 0.00000 0.00000 0.00000 0.01409 0.00000 163 7 H 1S -0.00013 0.00770 0.01055 0.00000 0.00457 164 2S -0.00826 0.00849 0.00337 0.00000 -0.03686 165 3S -0.08624 0.00359 0.08270 0.00000 0.20298 166 4PX 0.00000 0.00000 0.00000 -0.00220 0.00000 167 4PY 0.00637 0.00127 0.00354 0.00000 0.00295 168 4PZ 0.00245 0.00221 0.00053 0.00000 -0.00009 169 8 Mg 1S 0.00000 0.00964 0.00267 0.00000 0.00000 170 2S 0.00000 0.02614 0.00722 0.00000 0.00000 171 3S 0.00000 -0.06834 -0.01888 0.00000 0.00000 172 4S 0.00000 -0.10788 -0.03035 0.00000 0.00000 173 5S 0.00000 0.38713 0.25715 0.00000 0.00000 174 6S 0.00000 3.06431 3.23641 0.00000 0.00000 175 7S 0.00000 -2.01925 -0.84602 0.00000 0.00000 176 7PX 0.00000 0.00000 0.00000 1.37335 0.00000 177 7PY 1.12572 0.00000 0.00000 0.00000 -1.13074 178 7PZ 0.00000 -0.51623 0.88969 0.00000 0.00000 179 8PX 0.00000 0.00000 0.00000 0.05043 0.00000 180 8PY 0.04375 0.00000 0.00000 0.00000 -0.02113 181 8PZ 0.00000 -0.00537 -0.00474 0.00000 0.00000 182 9PX 0.00000 0.00000 0.00000 0.07171 0.00000 183 9PY 0.06071 0.00000 0.00000 0.00000 -0.02876 184 9PZ 0.00000 -0.00896 -0.00760 0.00000 0.00000 185 10PX 0.00000 0.00000 0.00000 -0.13627 0.00000 186 10PY -0.09654 0.00000 0.00000 0.00000 0.03909 187 10PZ 0.00000 0.04039 0.03021 0.00000 0.00000 188 11PX 0.00000 0.00000 0.00000 -0.16869 0.00000 189 11PY -0.26791 0.00000 0.00000 0.00000 0.22017 190 11PZ 0.00000 -0.30875 -0.21044 0.00000 0.00000 191 12PX 0.00000 0.00000 0.00000 -1.33894 0.00000 192 12PY -1.10488 0.00000 0.00000 0.00000 1.24083 193 12PZ 0.00000 -2.35138 -1.21307 0.00000 0.00000 194 13D 0 0.00000 -0.04721 0.00200 0.00000 0.00000 195 13D+1 0.00000 0.00000 0.00000 -0.02018 0.00000 196 13D-1 -0.00396 0.00000 0.00000 0.00000 0.00859 197 13D+2 0.00000 -0.00474 -0.00436 0.00000 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00000 -0.00746 -0.09665 0.00000 0.00000 200 14D+1 0.00000 0.00000 0.00000 -0.05410 0.00000 201 14D-1 0.07676 0.00000 0.00000 0.00000 -0.07784 202 14D+2 0.00000 0.00158 -0.00154 0.00000 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 -0.00048 0.00144 0.00000 0.00000 205 2S 0.00000 -0.00156 0.00468 0.00000 0.00000 206 3S 0.00000 0.00433 -0.01275 0.00000 0.00000 207 4S 0.00000 0.00470 -0.01534 0.00000 0.00000 208 5S 0.00000 -0.00876 0.03031 0.00000 0.00000 209 6S 0.00000 -0.01740 0.04484 0.00000 0.00000 210 7S 0.00000 0.04887 -0.11441 0.00000 0.00000 211 8S 0.00000 -0.01684 -0.01575 0.00000 0.00000 212 9S 0.00000 2.11713 0.33795 0.00000 0.00000 213 9PX 0.00000 0.00000 0.00000 0.21746 0.00000 214 9PY 0.04297 0.00000 0.00000 0.00000 -0.39371 215 9PZ 0.00000 -0.51531 0.19087 0.00000 0.00000 216 10PX 0.00000 0.00000 0.00000 0.00104 0.00000 217 10PY 0.00091 0.00000 0.00000 0.00000 0.00075 218 10PZ 0.00000 0.00295 -0.00032 0.00000 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00856 0.00000 220 11PY 0.00749 0.00000 0.00000 0.00000 0.00615 221 11PZ 0.00000 0.02433 -0.00265 0.00000 0.00000 222 12PX 0.00000 0.00000 0.00000 -0.02228 0.00000 223 12PY -0.01937 0.00000 0.00000 0.00000 -0.01609 224 12PZ 0.00000 -0.06397 0.00687 0.00000 0.00000 225 13PX 0.00000 0.00000 0.00000 -0.01188 0.00000 226 13PY -0.01188 0.00000 0.00000 0.00000 -0.00761 227 13PZ 0.00000 -0.02594 0.00393 0.00000 0.00000 228 14PX 0.00000 0.00000 0.00000 0.02806 0.00000 229 14PY 0.02774 0.00000 0.00000 0.00000 0.01807 230 14PZ 0.00000 0.06096 -0.00933 0.00000 0.00000 231 15PX 0.00000 0.00000 0.00000 0.03041 0.00000 232 15PY 0.02107 0.00000 0.00000 0.00000 0.02689 233 15PZ 0.00000 0.13179 -0.00824 0.00000 0.00000 234 16PX 0.00000 0.00000 0.00000 0.10323 0.00000 235 16PY 0.08769 0.00000 0.00000 0.00000 0.07008 236 16PZ 0.00000 0.08560 -0.10291 0.00000 0.00000 237 17D 0 0.00000 -0.01144 -0.00408 0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 -0.02083 0.00000 239 17D-1 -0.01322 0.00000 0.00000 0.00000 0.01016 240 17D+2 0.00000 0.00046 0.00041 0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 -0.00166 -0.00061 0.00000 0.00000 243 18D+1 0.00000 0.00000 0.00000 -0.00849 0.00000 244 18D-1 -0.00433 0.00000 0.00000 0.00000 0.00320 245 18D+2 0.00000 0.00003 0.00008 0.00000 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00452 0.00170 0.00000 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.01898 0.00000 249 19D-1 0.00997 0.00000 0.00000 0.00000 -0.00750 250 19D+2 0.00000 -0.00012 -0.00020 0.00000 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00000 0.05191 0.02136 0.00000 0.00000 253 20D+1 0.00000 0.00000 0.00000 0.06537 0.00000 254 20D-1 0.04736 0.00000 0.00000 0.00000 -0.03956 255 20D+2 0.00000 -0.00224 -0.00173 0.00000 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.00013 0.00770 0.01055 0.00000 -0.00457 258 2S 0.00826 0.00849 0.00337 0.00000 0.03686 259 3S 0.08624 0.00359 0.08270 0.00000 -0.20298 260 4PX 0.00000 0.00000 0.00000 -0.00220 0.00000 261 4PY 0.00637 -0.00127 -0.00354 0.00000 0.00295 262 4PZ -0.00245 0.00221 0.00053 0.00000 0.00009 263 11 H 1S -0.00743 0.00698 0.00189 0.00000 -0.01128 264 2S 0.03341 0.01236 0.04935 0.00000 0.03760 265 3S -0.16040 0.07476 -0.12008 0.00000 -0.29226 266 4PX 0.00000 0.00000 0.00000 -0.00464 0.00000 267 4PY 0.00580 -0.00001 0.00297 0.00000 0.00796 268 4PZ -0.00376 -0.00213 -0.00636 0.00000 -0.00673 269 12 H 1S 0.00000 0.00172 -0.00909 0.00000 0.00000 270 2S 0.00000 -0.00226 0.06945 0.00000 0.00000 271 3S 0.00000 0.01003 -0.33999 0.00000 0.00000 272 4PX 0.00000 0.00000 0.00000 0.00752 0.00000 273 4PY 0.00329 0.00000 0.00000 0.00000 0.00558 274 4PZ 0.00000 -0.00241 -0.01463 0.00000 0.00000 275 13 H 1S 0.00743 0.00698 0.00189 0.00000 0.01128 276 2S -0.03341 0.01236 0.04935 0.00000 -0.03760 277 3S 0.16040 0.07476 -0.12008 0.00000 0.29226 278 4PX 0.00000 0.00000 0.00000 -0.00464 0.00000 279 4PY 0.00580 0.00001 -0.00297 0.00000 0.00796 280 4PZ 0.00376 -0.00213 -0.00636 0.00000 0.00673 56 57 58 59 60 (A1)--V (A1)--V (B1)--V (B2)--V (A1)--V Eigenvalues -- 0.04048 0.05852 0.06199 0.06452 0.07556 1 1 C 1S 0.00448 -0.01258 0.00000 -0.00855 0.00863 2 2S 0.00766 -0.02027 0.00000 -0.01418 0.01420 3 2PX 0.00000 0.00000 0.04380 0.00000 0.00000 4 2PY 0.01534 -0.00478 0.00000 -0.00332 0.02129 5 2PZ 0.02260 -0.00312 0.00000 -0.00973 0.01590 6 3S -0.03327 0.04424 0.00000 0.04199 -0.03368 7 3PX 0.00000 0.00000 0.04817 0.00000 0.00000 8 3PY 0.02599 -0.01862 0.00000 -0.00895 0.03349 9 3PZ 0.03728 -0.00466 0.00000 -0.01905 0.02675 10 4S 0.11326 0.55970 0.00000 0.24428 -0.46725 11 4PX 0.00000 0.00000 0.16707 0.00000 0.00000 12 4PY -0.03528 0.26690 0.00000 0.12186 -0.26450 13 4PZ 0.19327 0.18647 0.00000 0.05555 -0.06714 14 5S 12.23783 33.37648 0.00000 8.78990 -26.65048 15 5PX 0.00000 0.00000 -0.24634 0.00000 0.00000 16 5PY -0.20713 5.66324 0.00000 3.45056 -5.93493 17 5PZ 2.57092 3.95247 0.00000 -0.49506 -2.73123 18 6D 0 -0.00103 0.00050 0.00000 -0.00307 0.00067 19 6D+1 0.00000 0.00000 0.00078 0.00000 0.00000 20 6D-1 0.00137 0.00137 0.00000 0.00033 0.00005 21 6D+2 -0.00428 -0.00041 0.00000 -0.00007 -0.00454 22 6D-2 0.00000 0.00000 0.00221 0.00000 0.00000 23 7D 0 0.02114 -0.00041 0.00000 -0.01334 0.02155 24 7D+1 0.00000 0.00000 0.01329 0.00000 0.00000 25 7D-1 0.00391 0.03733 0.00000 0.01349 -0.03555 26 7D+2 -0.00349 -0.02189 0.00000 -0.01536 0.02064 27 7D-2 0.00000 0.00000 0.00847 0.00000 0.00000 28 2 C 1S -0.00839 0.01416 0.00000 0.00000 -0.01251 29 2S -0.01376 0.02323 0.00000 0.00000 -0.02014 30 2PX 0.00000 0.00000 0.03100 0.00000 0.00000 31 2PY 0.00000 0.00000 0.00000 0.00095 0.00000 32 2PZ -0.00492 0.02741 0.00000 0.00000 0.00082 33 3S 0.03737 -0.06143 0.00000 0.00000 0.03998 34 3PX 0.00000 0.00000 0.02947 0.00000 0.00000 35 3PY 0.00000 0.00000 0.00000 0.00224 0.00000 36 3PZ -0.01928 0.05149 0.00000 0.00000 -0.00494 37 4S 0.26632 -0.47652 0.00000 0.00000 0.70221 38 4PX 0.00000 0.00000 0.10944 0.00000 0.00000 39 4PY 0.00000 0.00000 0.00000 0.11373 0.00000 40 4PZ 0.12499 -0.25137 0.00000 0.00000 0.41723 41 5S 0.78036 -31.08036 0.00000 0.00000 28.93340 42 5PX 0.00000 0.00000 -0.35306 0.00000 0.00000 43 5PY 0.00000 0.00000 0.00000 3.77505 0.00000 44 5PZ 0.43755 -7.39454 0.00000 0.00000 6.44223 45 6D 0 0.00471 0.00322 0.00000 0.00000 0.00142 46 6D+1 0.00000 0.00000 0.00367 0.00000 0.00000 47 6D-1 0.00000 0.00000 0.00000 -0.00425 0.00000 48 6D+2 0.00047 -0.00291 0.00000 0.00000 -0.00026 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.03634 -0.04325 0.00000 0.00000 0.05447 51 7D+1 0.00000 0.00000 0.01420 0.00000 0.00000 52 7D-1 0.00000 0.00000 0.00000 0.00134 0.00000 53 7D+2 -0.00012 -0.01565 0.00000 0.00000 0.00588 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.00448 -0.01258 0.00000 0.00855 0.00863 56 2S 0.00766 -0.02027 0.00000 0.01418 0.01420 57 2PX 0.00000 0.00000 0.04380 0.00000 0.00000 58 2PY -0.01534 0.00478 0.00000 -0.00332 -0.02129 59 2PZ 0.02260 -0.00312 0.00000 0.00973 0.01590 60 3S -0.03327 0.04424 0.00000 -0.04199 -0.03368 61 3PX 0.00000 0.00000 0.04817 0.00000 0.00000 62 3PY -0.02599 0.01862 0.00000 -0.00895 -0.03349 63 3PZ 0.03728 -0.00466 0.00000 0.01905 0.02675 64 4S 0.11326 0.55970 0.00000 -0.24428 -0.46725 65 4PX 0.00000 0.00000 0.16707 0.00000 0.00000 66 4PY 0.03528 -0.26690 0.00000 0.12186 0.26450 67 4PZ 0.19327 0.18647 0.00000 -0.05555 -0.06714 68 5S 12.23783 33.37648 0.00000 -8.78990 -26.65048 69 5PX 0.00000 0.00000 -0.24634 0.00000 0.00000 70 5PY 0.20713 -5.66324 0.00000 3.45056 5.93493 71 5PZ 2.57092 3.95247 0.00000 0.49506 -2.73123 72 6D 0 -0.00103 0.00050 0.00000 0.00307 0.00067 73 6D+1 0.00000 0.00000 0.00078 0.00000 0.00000 74 6D-1 -0.00137 -0.00137 0.00000 0.00033 -0.00005 75 6D+2 -0.00428 -0.00041 0.00000 0.00007 -0.00454 76 6D-2 0.00000 0.00000 -0.00221 0.00000 0.00000 77 7D 0 0.02114 -0.00041 0.00000 0.01334 0.02155 78 7D+1 0.00000 0.00000 0.01329 0.00000 0.00000 79 7D-1 -0.00391 -0.03733 0.00000 0.01349 0.03555 80 7D+2 -0.00349 -0.02189 0.00000 0.01536 0.02064 81 7D-2 0.00000 0.00000 -0.00847 0.00000 0.00000 82 4 C 1S 0.01172 0.00311 0.00000 -0.01301 -0.01037 83 2S 0.01934 0.00509 0.00000 -0.02147 -0.01654 84 2PX 0.00000 0.00000 0.02493 0.00000 0.00000 85 2PY -0.02845 -0.01210 0.00000 0.03808 0.01620 86 2PZ -0.02694 -0.00474 0.00000 -0.00141 0.00386 87 3S -0.05640 -0.00824 0.00000 0.06540 0.03337 88 3PX 0.00000 0.00000 0.03028 0.00000 0.00000 89 3PY -0.05305 -0.01250 0.00000 0.07202 0.02659 90 3PZ -0.03609 -0.00305 0.00000 0.00959 0.01442 91 4S -0.39051 -0.36282 0.00000 0.21771 0.53673 92 4PX 0.00000 0.00000 0.06108 0.00000 0.00000 93 4PY 0.07258 0.12039 0.00000 -0.03195 -0.25336 94 4PZ 0.04064 0.12849 0.00000 -0.08754 -0.11440 95 5S -27.76858 -28.95511 0.00000 13.97961 23.32821 96 5PX 0.00000 0.00000 -0.47377 0.00000 0.00000 97 5PY 5.04747 4.36629 0.00000 -5.18533 -4.88519 98 5PZ 5.04734 5.15629 0.00000 2.02456 -2.57922 99 6D 0 0.00075 0.00286 0.00000 -0.00042 0.00121 100 6D+1 0.00000 0.00000 -0.00278 0.00000 0.00000 101 6D-1 0.00106 0.00170 0.00000 0.00054 -0.00068 102 6D+2 -0.00378 -0.00120 0.00000 0.00141 -0.00068 103 6D-2 0.00000 0.00000 -0.00051 0.00000 0.00000 104 7D 0 -0.00852 0.00279 0.00000 0.00578 -0.01016 105 7D+1 0.00000 0.00000 0.00026 0.00000 0.00000 106 7D-1 0.01070 -0.01368 0.00000 0.02374 0.02706 107 7D+2 -0.01120 -0.00024 0.00000 -0.01017 -0.02274 108 7D-2 0.00000 0.00000 -0.00951 0.00000 0.00000 109 5 C 1S -0.01243 -0.00438 0.00000 0.00000 -0.00183 110 2S -0.02029 -0.00680 0.00000 0.00000 -0.00280 111 2PX 0.00000 0.00000 0.00458 0.00000 0.00000 112 2PY 0.00000 0.00000 0.00000 -0.02330 0.00000 113 2PZ 0.00786 0.01098 0.00000 0.00000 0.00921 114 3S 0.05350 0.00762 0.00000 0.00000 0.01194 115 3PX 0.00000 0.00000 0.00483 0.00000 0.00000 116 3PY 0.00000 0.00000 0.00000 -0.02238 0.00000 117 3PZ 0.00548 0.00835 0.00000 0.00000 0.01795 118 4S 0.43082 0.34674 0.00000 0.00000 -0.20945 119 4PX 0.00000 0.00000 0.00115 0.00000 0.00000 120 4PY 0.00000 0.00000 0.00000 -0.09554 0.00000 121 4PZ -0.04997 -0.06718 0.00000 0.00000 0.40057 122 5S 29.60286 24.08116 0.00000 0.00000 -21.93098 123 5PX 0.00000 0.00000 1.00367 0.00000 0.00000 124 5PY 0.00000 0.00000 0.00000 -6.26098 0.00000 125 5PZ -12.41187 -5.73641 0.00000 0.00000 5.78061 126 6D 0 0.00382 0.00087 0.00000 0.00000 0.00043 127 6D+1 0.00000 0.00000 -0.00168 0.00000 0.00000 128 6D-1 0.00000 0.00000 0.00000 0.00174 0.00000 129 6D+2 0.00126 -0.00098 0.00000 0.00000 -0.00218 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.02580 0.01200 0.00000 0.00000 -0.02703 132 7D+1 0.00000 0.00000 -0.00079 0.00000 0.00000 133 7D-1 0.00000 0.00000 0.00000 0.00572 0.00000 134 7D+2 -0.01265 -0.00885 0.00000 0.00000 -0.00884 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S 0.01172 0.00311 0.00000 0.01301 -0.01037 137 2S 0.01934 0.00509 0.00000 0.02147 -0.01654 138 2PX 0.00000 0.00000 0.02493 0.00000 0.00000 139 2PY 0.02845 0.01210 0.00000 0.03808 -0.01620 140 2PZ -0.02694 -0.00474 0.00000 0.00141 0.00386 141 3S -0.05640 -0.00824 0.00000 -0.06540 0.03337 142 3PX 0.00000 0.00000 0.03028 0.00000 0.00000 143 3PY 0.05305 0.01250 0.00000 0.07202 -0.02659 144 3PZ -0.03609 -0.00305 0.00000 -0.00959 0.01442 145 4S -0.39051 -0.36282 0.00000 -0.21771 0.53673 146 4PX 0.00000 0.00000 0.06108 0.00000 0.00000 147 4PY -0.07258 -0.12039 0.00000 -0.03195 0.25336 148 4PZ 0.04064 0.12849 0.00000 0.08754 -0.11440 149 5S -27.76858 -28.95511 0.00000 -13.97961 23.32821 150 5PX 0.00000 0.00000 -0.47377 0.00000 0.00000 151 5PY -5.04747 -4.36629 0.00000 -5.18533 4.88519 152 5PZ 5.04734 5.15629 0.00000 -2.02456 -2.57922 153 6D 0 0.00075 0.00286 0.00000 0.00042 0.00121 154 6D+1 0.00000 0.00000 -0.00278 0.00000 0.00000 155 6D-1 -0.00106 -0.00170 0.00000 0.00054 0.00068 156 6D+2 -0.00378 -0.00120 0.00000 -0.00141 -0.00068 157 6D-2 0.00000 0.00000 0.00051 0.00000 0.00000 158 7D 0 -0.00852 0.00279 0.00000 -0.00578 -0.01016 159 7D+1 0.00000 0.00000 0.00026 0.00000 0.00000 160 7D-1 -0.01070 0.01368 0.00000 0.02374 -0.02706 161 7D+2 -0.01120 -0.00024 0.00000 0.01017 -0.02274 162 7D-2 0.00000 0.00000 0.00951 0.00000 0.00000 163 7 H 1S 0.00547 0.00671 0.00000 -0.00743 0.00141 164 2S 0.03487 0.00705 0.00000 0.04290 -0.01945 165 3S -0.01826 0.05389 0.00000 -0.24899 0.20247 166 4PX 0.00000 0.00000 -0.00149 0.00000 0.00000 167 4PY -0.01364 -0.00085 0.00000 -0.00805 0.00220 168 4PZ 0.00326 0.00779 0.00000 0.00342 -0.00464 169 8 Mg 1S 0.00102 -0.00478 0.00000 0.00000 -0.00116 170 2S 0.00271 -0.01310 0.00000 0.00000 -0.00312 171 3S -0.00643 0.03580 0.00000 0.00000 0.00810 172 4S -0.01466 0.04778 0.00000 0.00000 0.01355 173 5S 0.46430 0.06477 0.00000 0.00000 0.00761 174 6S 4.20877 -2.84120 0.00000 0.00000 -4.78792 175 7S -0.91873 0.41077 0.00000 0.00000 0.08721 176 7PX 0.00000 0.00000 0.04919 0.00000 0.00000 177 7PY 0.00000 0.00000 0.00000 0.12885 0.00000 178 7PZ 0.69130 0.31415 0.00000 0.00000 0.26593 179 8PX 0.00000 0.00000 -0.00410 0.00000 0.00000 180 8PY 0.00000 0.00000 0.00000 -0.01538 0.00000 181 8PZ 0.00647 0.01589 0.00000 0.00000 0.00904 182 9PX 0.00000 0.00000 -0.00589 0.00000 0.00000 183 9PY 0.00000 0.00000 0.00000 -0.01939 0.00000 184 9PZ 0.00796 0.02263 0.00000 0.00000 0.01178 185 10PX 0.00000 0.00000 0.00996 0.00000 0.00000 186 10PY 0.00000 0.00000 0.00000 0.00725 0.00000 187 10PZ 0.00218 -0.05658 0.00000 0.00000 -0.01311 188 11PX 0.00000 0.00000 0.01573 0.00000 0.00000 189 11PY 0.00000 0.00000 0.00000 0.24663 0.00000 190 11PZ -0.18382 0.13045 0.00000 0.00000 0.05995 191 12PX 0.00000 0.00000 -0.67809 0.00000 0.00000 192 12PY 0.00000 0.00000 0.00000 0.23707 0.00000 193 12PZ 1.39775 1.23401 0.00000 0.00000 -1.13224 194 13D 0 0.01466 0.00677 0.00000 0.00000 -0.01026 195 13D+1 0.00000 0.00000 -0.00262 0.00000 0.00000 196 13D-1 0.00000 0.00000 0.00000 0.00642 0.00000 197 13D+2 -0.02040 -0.01755 0.00000 0.00000 0.00969 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 -0.24498 -0.14414 0.00000 0.00000 -0.24911 200 14D+1 0.00000 0.00000 0.10513 0.00000 0.00000 201 14D-1 0.00000 0.00000 0.00000 0.01783 0.00000 202 14D+2 -0.06658 -0.07701 0.00000 0.00000 0.07426 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S -0.00017 -0.00160 0.00000 0.00000 0.00031 205 2S -0.00052 -0.00517 0.00000 0.00000 0.00100 206 3S 0.00124 0.01399 0.00000 0.00000 -0.00263 207 4S 0.00253 0.01753 0.00000 0.00000 -0.00381 208 5S -0.00612 -0.03541 0.00000 0.00000 0.00822 209 6S 0.00051 -0.04616 0.00000 0.00000 0.00633 210 7S -0.02222 0.10547 0.00000 0.00000 -0.00669 211 8S 0.20863 0.16170 0.00000 0.00000 -0.06104 212 9S -2.19358 -0.20390 0.00000 0.00000 3.26390 213 9PX 0.00000 0.00000 1.07754 0.00000 0.00000 214 9PY 0.00000 0.00000 0.00000 0.60972 0.00000 215 9PZ 0.75783 -1.16819 0.00000 0.00000 -2.41374 216 10PX 0.00000 0.00000 -0.00278 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 -0.00267 0.00000 218 10PZ -0.00038 0.00059 0.00000 0.00000 0.00170 219 11PX 0.00000 0.00000 -0.02279 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00000 -0.02190 0.00000 221 11PZ -0.00320 0.00477 0.00000 0.00000 0.01397 222 12PX 0.00000 0.00000 0.05908 0.00000 0.00000 223 12PY 0.00000 0.00000 0.00000 0.05708 0.00000 224 12PZ 0.00884 -0.01193 0.00000 0.00000 -0.03653 225 13PX 0.00000 0.00000 0.03601 0.00000 0.00000 226 13PY 0.00000 0.00000 0.00000 0.03098 0.00000 227 13PZ -0.00199 -0.01308 0.00000 0.00000 -0.01847 228 14PX 0.00000 0.00000 -0.08505 0.00000 0.00000 229 14PY 0.00000 0.00000 0.00000 -0.07346 0.00000 230 14PZ 0.00461 0.03078 0.00000 0.00000 0.04362 231 15PX 0.00000 0.00000 -0.06484 0.00000 0.00000 232 15PY 0.00000 0.00000 0.00000 -0.07959 0.00000 233 15PZ -0.04468 -0.01393 0.00000 0.00000 0.06039 234 16PX 0.00000 0.00000 -0.36011 0.00000 0.00000 235 16PY 0.00000 0.00000 0.00000 -0.28262 0.00000 236 16PZ -0.06241 0.12236 0.00000 0.00000 0.07360 237 17D 0 -0.00208 0.01695 0.00000 0.00000 0.01980 238 17D+1 0.00000 0.00000 -0.00387 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00266 0.00000 240 17D+2 0.00435 0.00420 0.00000 0.00000 -0.00342 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 -0.00052 0.00599 0.00000 0.00000 0.00943 243 18D+1 0.00000 0.00000 -0.00011 0.00000 0.00000 244 18D-1 0.00000 0.00000 0.00000 0.00184 0.00000 245 18D+2 0.00055 0.00067 0.00000 0.00000 -0.00054 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00123 -0.01387 0.00000 0.00000 -0.02095 248 19D+1 0.00000 0.00000 0.00077 0.00000 0.00000 249 19D-1 0.00000 0.00000 0.00000 -0.00391 0.00000 250 19D+2 -0.00173 -0.00195 0.00000 0.00000 0.00162 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.01685 -0.05728 0.00000 0.00000 -0.05844 253 20D+1 0.00000 0.00000 0.02592 0.00000 0.00000 254 20D-1 0.00000 0.00000 0.00000 -0.00034 0.00000 255 20D+2 -0.01935 -0.01821 0.00000 0.00000 0.01492 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.00547 0.00671 0.00000 0.00743 0.00141 258 2S 0.03487 0.00705 0.00000 -0.04290 -0.01945 259 3S -0.01826 0.05389 0.00000 0.24899 0.20247 260 4PX 0.00000 0.00000 -0.00149 0.00000 0.00000 261 4PY 0.01364 0.00085 0.00000 -0.00805 -0.00220 262 4PZ 0.00326 0.00779 0.00000 -0.00342 -0.00464 263 11 H 1S 0.00876 0.00597 0.00000 -0.00447 0.00697 264 2S 0.03768 -0.00571 0.00000 0.00368 0.03818 265 3S 0.00371 0.20069 0.00000 -0.10173 -0.05111 266 4PX 0.00000 0.00000 -0.00258 0.00000 0.00000 267 4PY 0.00969 -0.00423 0.00000 -0.00052 0.00559 268 4PZ 0.00260 -0.00216 0.00000 -0.00906 -0.00115 269 12 H 1S 0.02228 0.00564 0.00000 0.00000 0.00423 270 2S 0.00685 0.04465 0.00000 0.00000 -0.00991 271 3S 0.29971 -0.06807 0.00000 0.00000 0.27985 272 4PX 0.00000 0.00000 -0.00543 0.00000 0.00000 273 4PY 0.00000 0.00000 0.00000 0.01168 0.00000 274 4PZ 0.00127 -0.00645 0.00000 0.00000 0.00102 275 13 H 1S 0.00876 0.00597 0.00000 0.00447 0.00697 276 2S 0.03768 -0.00571 0.00000 -0.00368 0.03818 277 3S 0.00371 0.20069 0.00000 0.10173 -0.05111 278 4PX 0.00000 0.00000 -0.00258 0.00000 0.00000 279 4PY -0.00969 0.00423 0.00000 -0.00052 -0.00559 280 4PZ 0.00260 -0.00216 0.00000 0.00906 -0.00115 61 62 63 64 65 (A1)--V (A2)--V (B1)--V (B2)--V (A1)--V Eigenvalues -- 0.07875 0.07895 0.08906 0.09086 0.09380 1 1 C 1S -0.00877 0.00000 0.00000 -0.00064 -0.00204 2 2S -0.01409 0.00000 0.00000 -0.00101 -0.00340 3 2PX 0.00000 0.02678 -0.01385 0.00000 0.00000 4 2PY -0.00820 0.00000 0.00000 0.01686 0.01401 5 2PZ -0.00294 0.00000 0.00000 0.00495 -0.00039 6 3S 0.03947 0.00000 0.00000 -0.00000 0.01077 7 3PX 0.00000 0.02677 -0.00719 0.00000 0.00000 8 3PY -0.02501 0.00000 0.00000 0.02888 0.01582 9 3PZ -0.01774 0.00000 0.00000 -0.00105 0.00628 10 4S -0.17405 0.00000 0.00000 0.02721 0.08230 11 4PX 0.00000 0.11056 -0.06732 0.00000 0.00000 12 4PY -0.11176 0.00000 0.00000 0.12687 -0.00314 13 4PZ -0.07824 0.00000 0.00000 -0.01624 0.00042 14 5S 9.46508 0.00000 0.00000 12.10172 -22.69888 15 5PX 0.00000 -0.40302 0.57899 0.00000 0.00000 16 5PY 0.70235 0.00000 0.00000 -1.85550 -1.66445 17 5PZ 2.19530 0.00000 0.00000 5.83454 -4.70811 18 6D 0 0.00283 0.00000 0.00000 -0.00149 0.00205 19 6D+1 0.00000 0.00485 0.00169 0.00000 0.00000 20 6D-1 -0.00233 0.00000 0.00000 0.00093 0.00269 21 6D+2 -0.00157 0.00000 0.00000 -0.00062 -0.00553 22 6D-2 0.00000 0.00140 -0.00434 0.00000 0.00000 23 7D 0 -0.00869 0.00000 0.00000 -0.01524 0.02356 24 7D+1 0.00000 0.00267 -0.01219 0.00000 0.00000 25 7D-1 0.02311 0.00000 0.00000 0.00724 -0.01142 26 7D+2 -0.00081 0.00000 0.00000 -0.00984 -0.00425 27 7D-2 0.00000 0.01462 -0.01164 0.00000 0.00000 28 2 C 1S -0.00454 0.00000 0.00000 0.00000 -0.00259 29 2S -0.00726 0.00000 0.00000 0.00000 -0.00405 30 2PX 0.00000 0.00000 -0.07471 0.00000 0.00000 31 2PY 0.00000 0.00000 0.00000 -0.00182 0.00000 32 2PZ -0.00681 0.00000 0.00000 0.00000 0.01422 33 3S 0.01425 0.00000 0.00000 0.00000 0.00897 34 3PX 0.00000 0.00000 -0.08991 0.00000 0.00000 35 3PY 0.00000 0.00000 0.00000 0.00042 0.00000 36 3PZ -0.00994 0.00000 0.00000 0.00000 0.01636 37 4S 0.40424 0.00000 0.00000 0.00000 0.12925 38 4PX 0.00000 0.00000 -0.28056 0.00000 0.00000 39 4PY 0.00000 0.00000 0.00000 0.09844 0.00000 40 4PZ 0.13604 0.00000 0.00000 0.00000 0.13638 41 5S -3.40548 0.00000 0.00000 0.00000 9.16926 42 5PX 0.00000 0.00000 0.47304 0.00000 0.00000 43 5PY 0.00000 0.00000 0.00000 -2.99772 0.00000 44 5PZ -0.79476 0.00000 0.00000 0.00000 2.76095 45 6D 0 -0.00112 0.00000 0.00000 0.00000 0.00430 46 6D+1 0.00000 0.00000 -0.00216 0.00000 0.00000 47 6D-1 0.00000 0.00000 0.00000 -0.00344 0.00000 48 6D+2 -0.00314 0.00000 0.00000 0.00000 -0.00510 49 6D-2 0.00000 -0.00223 0.00000 0.00000 0.00000 50 7D 0 -0.02499 0.00000 0.00000 0.00000 0.02299 51 7D+1 0.00000 0.00000 -0.01405 0.00000 0.00000 52 7D-1 0.00000 0.00000 0.00000 0.00440 0.00000 53 7D+2 -0.02432 0.00000 0.00000 0.00000 0.00169 54 7D-2 0.00000 0.01733 0.00000 0.00000 0.00000 55 3 C 1S -0.00877 0.00000 0.00000 0.00064 -0.00204 56 2S -0.01409 0.00000 0.00000 0.00101 -0.00340 57 2PX 0.00000 -0.02678 -0.01385 0.00000 0.00000 58 2PY 0.00820 0.00000 0.00000 0.01686 -0.01401 59 2PZ -0.00294 0.00000 0.00000 -0.00495 -0.00039 60 3S 0.03947 0.00000 0.00000 0.00000 0.01077 61 3PX 0.00000 -0.02677 -0.00719 0.00000 0.00000 62 3PY 0.02501 0.00000 0.00000 0.02888 -0.01582 63 3PZ -0.01774 0.00000 0.00000 0.00105 0.00628 64 4S -0.17405 0.00000 0.00000 -0.02721 0.08230 65 4PX 0.00000 -0.11056 -0.06732 0.00000 0.00000 66 4PY 0.11176 0.00000 0.00000 0.12687 0.00314 67 4PZ -0.07824 0.00000 0.00000 0.01624 0.00042 68 5S 9.46508 0.00000 0.00000 -12.10172 -22.69888 69 5PX 0.00000 0.40302 0.57899 0.00000 0.00000 70 5PY -0.70235 0.00000 0.00000 -1.85550 1.66445 71 5PZ 2.19530 0.00000 0.00000 -5.83454 -4.70811 72 6D 0 0.00283 0.00000 0.00000 0.00149 0.00205 73 6D+1 0.00000 -0.00485 0.00169 0.00000 0.00000 74 6D-1 0.00233 0.00000 0.00000 0.00093 -0.00269 75 6D+2 -0.00157 0.00000 0.00000 0.00062 -0.00553 76 6D-2 0.00000 0.00140 0.00434 0.00000 0.00000 77 7D 0 -0.00869 0.00000 0.00000 0.01524 0.02356 78 7D+1 0.00000 -0.00267 -0.01219 0.00000 0.00000 79 7D-1 -0.02311 0.00000 0.00000 0.00724 0.01142 80 7D+2 -0.00081 0.00000 0.00000 0.00984 -0.00425 81 7D-2 0.00000 0.01462 0.01164 0.00000 0.00000 82 4 C 1S -0.01287 0.00000 0.00000 -0.00836 -0.00752 83 2S -0.02109 0.00000 0.00000 -0.01391 -0.01235 84 2PX 0.00000 -0.06772 -0.00474 0.00000 0.00000 85 2PY 0.00845 0.00000 0.00000 0.02939 -0.00135 86 2PZ 0.01082 0.00000 0.00000 0.00560 -0.00254 87 3S 0.06613 0.00000 0.00000 0.04391 0.03295 88 3PX 0.00000 -0.08113 -0.00396 0.00000 0.00000 89 3PY 0.01999 0.00000 0.00000 0.05552 -0.00177 90 3PZ 0.01915 0.00000 0.00000 0.01733 0.01207 91 4S 0.27905 0.00000 0.00000 0.13922 0.24905 92 4PX 0.00000 -0.26649 0.00899 0.00000 0.00000 93 4PY 0.00275 0.00000 0.00000 -0.07300 -0.28760 94 4PZ -0.20450 0.00000 0.00000 0.10269 0.01200 95 5S -1.75000 0.00000 0.00000 4.90600 23.08660 96 5PX 0.00000 0.91549 -0.55085 0.00000 0.00000 97 5PY -1.54374 0.00000 0.00000 1.51180 -2.17952 98 5PZ 3.69709 0.00000 0.00000 -9.12590 -5.87019 99 6D 0 0.00235 0.00000 0.00000 -0.00010 0.00133 100 6D+1 0.00000 0.00263 0.00035 0.00000 0.00000 101 6D-1 -0.00191 0.00000 0.00000 -0.00089 0.00295 102 6D+2 -0.00219 0.00000 0.00000 0.00133 -0.00177 103 6D-2 0.00000 0.00142 0.00008 0.00000 0.00000 104 7D 0 0.03430 0.00000 0.00000 -0.00670 -0.02207 105 7D+1 0.00000 0.00279 -0.00664 0.00000 0.00000 106 7D-1 -0.01395 0.00000 0.00000 0.00436 0.00650 107 7D+2 0.00201 0.00000 0.00000 -0.01232 -0.03185 108 7D-2 0.00000 0.01517 -0.00003 0.00000 0.00000 109 5 C 1S -0.00719 0.00000 0.00000 0.00000 0.00921 110 2S -0.01191 0.00000 0.00000 0.00000 0.01431 111 2PX 0.00000 0.00000 0.00069 0.00000 0.00000 112 2PY 0.00000 0.00000 0.00000 -0.00930 0.00000 113 2PZ 0.00413 0.00000 0.00000 0.00000 -0.02709 114 3S 0.03398 0.00000 0.00000 0.00000 -0.01204 115 3PX 0.00000 0.00000 0.01045 0.00000 0.00000 116 3PY 0.00000 0.00000 0.00000 -0.01369 0.00000 117 3PZ -0.00714 0.00000 0.00000 0.00000 -0.02277 118 4S 0.26751 0.00000 0.00000 0.00000 -0.85685 119 4PX 0.00000 0.00000 -0.04759 0.00000 0.00000 120 4PY 0.00000 0.00000 0.00000 -0.18720 0.00000 121 4PZ 0.15256 0.00000 0.00000 0.00000 0.11471 122 5S 2.19923 0.00000 0.00000 0.00000 -10.23678 123 5PX 0.00000 0.00000 0.39129 0.00000 0.00000 124 5PY 0.00000 0.00000 0.00000 8.07322 0.00000 125 5PZ 7.20042 0.00000 0.00000 0.00000 5.48715 126 6D 0 -0.00136 0.00000 0.00000 0.00000 0.00427 127 6D+1 0.00000 0.00000 0.00024 0.00000 0.00000 128 6D-1 0.00000 0.00000 0.00000 0.00087 0.00000 129 6D+2 -0.00438 0.00000 0.00000 0.00000 -0.00080 130 6D-2 0.00000 -0.00532 0.00000 0.00000 0.00000 131 7D 0 0.02531 0.00000 0.00000 0.00000 -0.02791 132 7D+1 0.00000 0.00000 0.00212 0.00000 0.00000 133 7D-1 0.00000 0.00000 0.00000 0.01680 0.00000 134 7D+2 -0.03029 0.00000 0.00000 0.00000 -0.00474 135 7D-2 0.00000 0.00955 0.00000 0.00000 0.00000 136 6 C 1S -0.01287 0.00000 0.00000 0.00836 -0.00752 137 2S -0.02109 0.00000 0.00000 0.01391 -0.01235 138 2PX 0.00000 0.06772 -0.00474 0.00000 0.00000 139 2PY -0.00845 0.00000 0.00000 0.02939 0.00135 140 2PZ 0.01082 0.00000 0.00000 -0.00560 -0.00254 141 3S 0.06613 0.00000 0.00000 -0.04391 0.03295 142 3PX 0.00000 0.08113 -0.00396 0.00000 0.00000 143 3PY -0.01999 0.00000 0.00000 0.05552 0.00177 144 3PZ 0.01915 0.00000 0.00000 -0.01733 0.01207 145 4S 0.27905 0.00000 0.00000 -0.13922 0.24905 146 4PX 0.00000 0.26649 0.00899 0.00000 0.00000 147 4PY -0.00275 0.00000 0.00000 -0.07300 0.28760 148 4PZ -0.20450 0.00000 0.00000 -0.10269 0.01200 149 5S -1.75000 0.00000 0.00000 -4.90600 23.08660 150 5PX 0.00000 -0.91549 -0.55085 0.00000 0.00000 151 5PY 1.54374 0.00000 0.00000 1.51180 2.17952 152 5PZ 3.69709 0.00000 0.00000 9.12590 -5.87019 153 6D 0 0.00235 0.00000 0.00000 0.00010 0.00133 154 6D+1 0.00000 -0.00263 0.00035 0.00000 0.00000 155 6D-1 0.00191 0.00000 0.00000 -0.00089 -0.00295 156 6D+2 -0.00219 0.00000 0.00000 -0.00133 -0.00177 157 6D-2 0.00000 0.00142 -0.00008 0.00000 0.00000 158 7D 0 0.03430 0.00000 0.00000 0.00670 -0.02207 159 7D+1 0.00000 -0.00279 -0.00664 0.00000 0.00000 160 7D-1 0.01395 0.00000 0.00000 0.00436 -0.00650 161 7D+2 0.00201 0.00000 0.00000 0.01232 -0.03185 162 7D-2 0.00000 0.01517 0.00003 0.00000 0.00000 163 7 H 1S 0.00282 0.00000 0.00000 -0.00148 0.01061 164 2S 0.01909 0.00000 0.00000 0.05826 0.00902 165 3S 0.03031 0.00000 0.00000 -0.27805 0.33371 166 4PX 0.00000 -0.00525 -0.00167 0.00000 0.00000 167 4PY 0.00942 0.00000 0.00000 -0.00583 0.00298 168 4PZ -0.00135 0.00000 0.00000 0.00227 0.00138 169 8 Mg 1S 0.00439 0.00000 0.00000 0.00000 0.00683 170 2S 0.01229 0.00000 0.00000 0.00000 0.01831 171 3S -0.03621 0.00000 0.00000 0.00000 -0.04592 172 4S -0.03266 0.00000 0.00000 0.00000 -0.08943 173 5S 0.10342 0.00000 0.00000 0.00000 0.08324 174 6S -6.92324 0.00000 0.00000 0.00000 3.68105 175 7S 2.22897 0.00000 0.00000 0.00000 2.23132 176 7PX 0.00000 0.00000 -0.82638 0.00000 0.00000 177 7PY 0.00000 0.00000 0.00000 1.36542 0.00000 178 7PZ -2.89116 0.00000 0.00000 0.00000 0.26219 179 8PX 0.00000 0.00000 -0.00645 0.00000 0.00000 180 8PY 0.00000 0.00000 0.00000 -0.01341 0.00000 181 8PZ -0.01200 0.00000 0.00000 0.00000 -0.00434 182 9PX 0.00000 0.00000 -0.00913 0.00000 0.00000 183 9PY 0.00000 0.00000 0.00000 -0.01774 0.00000 184 9PZ -0.01620 0.00000 0.00000 0.00000 -0.00496 185 10PX 0.00000 0.00000 0.01675 0.00000 0.00000 186 10PY 0.00000 0.00000 0.00000 0.02647 0.00000 187 10PZ 0.00779 0.00000 0.00000 0.00000 0.00269 188 11PX 0.00000 0.00000 0.02134 0.00000 0.00000 189 11PY 0.00000 0.00000 0.00000 0.10154 0.00000 190 11PZ 0.46800 0.00000 0.00000 0.00000 0.34186 191 12PX 0.00000 0.00000 -0.13206 0.00000 0.00000 192 12PY 0.00000 0.00000 0.00000 1.02660 0.00000 193 12PZ 14.69498 0.00000 0.00000 0.00000 3.16779 194 13D 0 -0.00325 0.00000 0.00000 0.00000 -0.00092 195 13D+1 0.00000 0.00000 0.00361 0.00000 0.00000 196 13D-1 0.00000 0.00000 0.00000 0.01505 0.00000 197 13D+2 -0.02322 0.00000 0.00000 0.00000 0.01434 198 13D-2 0.00000 0.02294 0.00000 0.00000 0.00000 199 14D 0 -0.38320 0.00000 0.00000 0.00000 0.36598 200 14D+1 0.00000 0.00000 -0.09567 0.00000 0.00000 201 14D-1 0.00000 0.00000 0.00000 0.04675 0.00000 202 14D+2 -0.07367 0.00000 0.00000 0.00000 0.04394 203 14D-2 0.00000 0.21108 0.00000 0.00000 0.00000 204 9 Br 1S 0.00204 0.00000 0.00000 0.00000 -0.00255 205 2S 0.00659 0.00000 0.00000 0.00000 -0.00823 206 3S -0.01786 0.00000 0.00000 0.00000 0.02208 207 4S -0.02220 0.00000 0.00000 0.00000 0.02889 208 5S 0.04470 0.00000 0.00000 0.00000 -0.05966 209 6S 0.05994 0.00000 0.00000 0.00000 -0.06778 210 7S -0.14351 0.00000 0.00000 0.00000 0.14443 211 8S -0.08494 0.00000 0.00000 0.00000 0.36734 212 9S -10.07390 0.00000 0.00000 0.00000 -7.58359 213 9PX 0.00000 0.00000 1.32695 0.00000 0.00000 214 9PY 0.00000 0.00000 0.00000 -2.01852 0.00000 215 9PZ 3.96623 0.00000 0.00000 0.00000 2.51620 216 10PX 0.00000 0.00000 -0.00294 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00251 0.00000 218 10PZ 0.00063 0.00000 0.00000 0.00000 0.00110 219 11PX 0.00000 0.00000 -0.02414 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00000 0.02056 0.00000 221 11PZ 0.00519 0.00000 0.00000 0.00000 0.00890 222 12PX 0.00000 0.00000 0.06276 0.00000 0.00000 223 12PY 0.00000 0.00000 0.00000 -0.05296 0.00000 224 12PZ -0.01373 0.00000 0.00000 0.00000 -0.02246 225 13PX 0.00000 0.00000 0.03687 0.00000 0.00000 226 13PY 0.00000 0.00000 0.00000 -0.03738 0.00000 227 13PZ -0.00485 0.00000 0.00000 0.00000 -0.02208 228 14PX 0.00000 0.00000 -0.08748 0.00000 0.00000 229 14PY 0.00000 0.00000 0.00000 0.08832 0.00000 230 14PZ 0.01123 0.00000 0.00000 0.00000 0.05321 231 15PX 0.00000 0.00000 -0.07812 0.00000 0.00000 232 15PY 0.00000 0.00000 0.00000 0.03741 0.00000 233 15PZ 0.03268 0.00000 0.00000 0.00000 -0.02868 234 16PX 0.00000 0.00000 -0.34013 0.00000 0.00000 235 16PY 0.00000 0.00000 0.00000 0.40412 0.00000 236 16PZ -0.02587 0.00000 0.00000 0.00000 0.57644 237 17D 0 -0.00859 0.00000 0.00000 0.00000 -0.02461 238 17D+1 0.00000 0.00000 -0.00689 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.00000 0.02232 0.00000 240 17D+2 0.00475 0.00000 0.00000 0.00000 -0.00475 241 17D-2 0.00000 -0.00703 0.00000 0.00000 0.00000 242 18D 0 -0.00197 0.00000 0.00000 0.00000 -0.01917 243 18D+1 0.00000 0.00000 -0.00378 0.00000 0.00000 244 18D-1 0.00000 0.00000 0.00000 0.00836 0.00000 245 18D+2 0.00058 0.00000 0.00000 0.00000 -0.00025 246 18D-2 0.00000 -0.00160 0.00000 0.00000 0.00000 247 19D 0 0.00513 0.00000 0.00000 0.00000 0.04043 248 19D+1 0.00000 0.00000 0.00828 0.00000 0.00000 249 19D-1 0.00000 0.00000 0.00000 -0.01949 0.00000 250 19D+2 -0.00193 0.00000 0.00000 0.00000 0.00133 251 19D-2 0.00000 0.00423 0.00000 0.00000 0.00000 252 20D 0 0.03173 0.00000 0.00000 0.00000 0.02179 253 20D+1 0.00000 0.00000 0.01887 0.00000 0.00000 254 20D-1 0.00000 0.00000 0.00000 -0.08032 0.00000 255 20D+2 -0.02177 0.00000 0.00000 0.00000 0.02358 256 20D-2 0.00000 0.02819 0.00000 0.00000 0.00000 257 10 H 1S 0.00282 0.00000 0.00000 0.00148 0.01061 258 2S 0.01909 0.00000 0.00000 -0.05826 0.00902 259 3S 0.03031 0.00000 0.00000 0.27805 0.33371 260 4PX 0.00000 0.00525 -0.00167 0.00000 0.00000 261 4PY -0.00942 0.00000 0.00000 -0.00583 -0.00298 262 4PZ -0.00135 0.00000 0.00000 -0.00227 0.00138 263 11 H 1S -0.00023 0.00000 0.00000 -0.00184 0.02011 264 2S -0.05727 0.00000 0.00000 -0.01980 0.01813 265 3S 0.10559 0.00000 0.00000 -0.00230 0.38977 266 4PX 0.00000 0.00725 0.00560 0.00000 0.00000 267 4PY -0.00102 0.00000 0.00000 -0.00532 0.00020 268 4PZ -0.00087 0.00000 0.00000 -0.00221 -0.00174 269 12 H 1S -0.00418 0.00000 0.00000 0.00000 0.01498 270 2S -0.00356 0.00000 0.00000 0.00000 0.01970 271 3S 0.08029 0.00000 0.00000 0.00000 0.36290 272 4PX 0.00000 0.00000 0.00259 0.00000 0.00000 273 4PY 0.00000 0.00000 0.00000 0.00613 0.00000 274 4PZ 0.00415 0.00000 0.00000 0.00000 -0.00254 275 13 H 1S -0.00023 0.00000 0.00000 0.00184 0.02011 276 2S -0.05727 0.00000 0.00000 0.01980 0.01813 277 3S 0.10559 0.00000 0.00000 0.00230 0.38977 278 4PX 0.00000 -0.00725 0.00560 0.00000 0.00000 279 4PY 0.00102 0.00000 0.00000 -0.00532 -0.00020 280 4PZ -0.00087 0.00000 0.00000 0.00221 -0.00174 66 67 68 69 70 (B1)--V (A1)--V (B2)--V (A2)--V (B1)--V Eigenvalues -- 0.11090 0.11216 0.11432 0.11884 0.12184 1 1 C 1S 0.00000 -0.00568 -0.00349 0.00000 0.00000 2 2S 0.00000 -0.00901 -0.00549 0.00000 0.00000 3 2PX 0.07483 0.00000 0.00000 -0.07879 -0.04625 4 2PY 0.00000 0.00754 0.01282 0.00000 0.00000 5 2PZ 0.00000 -0.00664 -0.00389 0.00000 0.00000 6 3S 0.00000 0.00852 0.01892 0.00000 0.00000 7 3PX 0.10951 0.00000 0.00000 -0.09858 -0.07558 8 3PY 0.00000 0.00127 0.02547 0.00000 0.00000 9 3PZ 0.00000 -0.00858 -0.00579 0.00000 0.00000 10 4S 0.00000 0.56957 -0.16222 0.00000 0.00000 11 4PX 0.22749 0.00000 0.00000 -0.37100 -0.10240 12 4PY 0.00000 0.32103 -0.04507 0.00000 0.00000 13 4PZ 0.00000 0.10369 -0.16048 0.00000 0.00000 14 5S 0.00000 -2.62188 7.09521 0.00000 0.00000 15 5PX 2.28595 0.00000 0.00000 1.91339 -2.32464 16 5PY 0.00000 1.67938 0.88241 0.00000 0.00000 17 5PZ 0.00000 -0.39572 0.33950 0.00000 0.00000 18 6D 0 0.00000 -0.00005 -0.00291 0.00000 0.00000 19 6D+1 0.00145 0.00000 0.00000 0.00319 0.00571 20 6D-1 0.00000 -0.00135 -0.00383 0.00000 0.00000 21 6D+2 0.00000 -0.00677 -0.00170 0.00000 0.00000 22 6D-2 -0.00464 0.00000 0.00000 -0.00100 0.00006 23 7D 0 0.00000 -0.01640 -0.01826 0.00000 0.00000 24 7D+1 -0.01059 0.00000 0.00000 -0.00395 0.00764 25 7D-1 0.00000 0.03130 -0.03989 0.00000 0.00000 26 7D+2 0.00000 -0.04458 0.01517 0.00000 0.00000 27 7D-2 -0.01653 0.00000 0.00000 -0.01605 0.02784 28 2 C 1S 0.00000 -0.00576 0.00000 0.00000 0.00000 29 2S 0.00000 -0.00933 0.00000 0.00000 0.00000 30 2PX -0.09345 0.00000 0.00000 0.00000 0.01127 31 2PY 0.00000 0.00000 -0.02401 0.00000 0.00000 32 2PZ 0.00000 0.03865 0.00000 0.00000 0.00000 33 3S 0.00000 0.03455 0.00000 0.00000 0.00000 34 3PX -0.13524 0.00000 0.00000 0.00000 0.03121 35 3PY 0.00000 0.00000 -0.02966 0.00000 0.00000 36 3PZ 0.00000 0.04538 0.00000 0.00000 0.00000 37 4S 0.00000 -0.26591 0.00000 0.00000 0.00000 38 4PX -0.31535 0.00000 0.00000 0.00000 -0.07187 39 4PY 0.00000 0.00000 -0.02602 0.00000 0.00000 40 4PZ 0.00000 -0.17763 0.00000 0.00000 0.00000 41 5S 0.00000 -7.02437 0.00000 0.00000 0.00000 42 5PX -1.63625 0.00000 0.00000 0.00000 3.44773 43 5PY 0.00000 0.00000 4.00741 0.00000 0.00000 44 5PZ 0.00000 -2.78671 0.00000 0.00000 0.00000 45 6D 0 0.00000 0.00696 0.00000 0.00000 0.00000 46 6D+1 0.00366 0.00000 0.00000 0.00000 -0.00385 47 6D-1 0.00000 0.00000 -0.00440 0.00000 0.00000 48 6D+2 0.00000 -0.00680 0.00000 0.00000 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00876 0.00000 50 7D 0 0.00000 -0.02730 0.00000 0.00000 0.00000 51 7D+1 0.01890 0.00000 0.00000 0.00000 -0.03839 52 7D-1 0.00000 0.00000 -0.02739 0.00000 0.00000 53 7D+2 0.00000 -0.01025 0.00000 0.00000 0.00000 54 7D-2 0.00000 0.00000 0.00000 -0.00185 0.00000 55 3 C 1S 0.00000 -0.00568 0.00349 0.00000 0.00000 56 2S 0.00000 -0.00901 0.00549 0.00000 0.00000 57 2PX 0.07483 0.00000 0.00000 0.07879 -0.04625 58 2PY 0.00000 -0.00754 0.01282 0.00000 0.00000 59 2PZ 0.00000 -0.00664 0.00389 0.00000 0.00000 60 3S 0.00000 0.00852 -0.01892 0.00000 0.00000 61 3PX 0.10951 0.00000 0.00000 0.09858 -0.07558 62 3PY 0.00000 -0.00127 0.02547 0.00000 0.00000 63 3PZ 0.00000 -0.00858 0.00579 0.00000 0.00000 64 4S 0.00000 0.56957 0.16222 0.00000 0.00000 65 4PX 0.22749 0.00000 0.00000 0.37100 -0.10240 66 4PY 0.00000 -0.32103 -0.04507 0.00000 0.00000 67 4PZ 0.00000 0.10369 0.16048 0.00000 0.00000 68 5S 0.00000 -2.62188 -7.09521 0.00000 0.00000 69 5PX 2.28595 0.00000 0.00000 -1.91339 -2.32464 70 5PY 0.00000 -1.67938 0.88241 0.00000 0.00000 71 5PZ 0.00000 -0.39572 -0.33950 0.00000 0.00000 72 6D 0 0.00000 -0.00005 0.00291 0.00000 0.00000 73 6D+1 0.00145 0.00000 0.00000 -0.00319 0.00571 74 6D-1 0.00000 0.00135 -0.00383 0.00000 0.00000 75 6D+2 0.00000 -0.00677 0.00170 0.00000 0.00000 76 6D-2 0.00464 0.00000 0.00000 -0.00100 -0.00006 77 7D 0 0.00000 -0.01640 0.01826 0.00000 0.00000 78 7D+1 -0.01059 0.00000 0.00000 0.00395 0.00764 79 7D-1 0.00000 -0.03130 -0.03989 0.00000 0.00000 80 7D+2 0.00000 -0.04458 -0.01517 0.00000 0.00000 81 7D-2 0.01653 0.00000 0.00000 -0.01605 -0.02784 82 4 C 1S 0.00000 0.00457 -0.00422 0.00000 0.00000 83 2S 0.00000 0.00742 -0.00706 0.00000 0.00000 84 2PX -0.02134 0.00000 0.00000 -0.05229 0.10759 85 2PY 0.00000 0.00187 -0.03271 0.00000 0.00000 86 2PZ 0.00000 -0.00495 -0.01365 0.00000 0.00000 87 3S 0.00000 -0.01507 0.02629 0.00000 0.00000 88 3PX -0.04293 0.00000 0.00000 -0.06753 0.14694 89 3PY 0.00000 0.00486 -0.05963 0.00000 0.00000 90 3PZ 0.00000 -0.00235 -0.02150 0.00000 0.00000 91 4S 0.00000 -0.24614 0.06824 0.00000 0.00000 92 4PX -0.02125 0.00000 0.00000 -0.24883 0.37081 93 4PY 0.00000 0.12722 -0.17101 0.00000 0.00000 94 4PZ 0.00000 0.15496 0.26038 0.00000 0.00000 95 5S 0.00000 -9.13210 41.93579 0.00000 0.00000 96 5PX -3.45227 0.00000 0.00000 1.37761 0.94197 97 5PY 0.00000 4.00320 -6.61208 0.00000 0.00000 98 5PZ 0.00000 -4.20453 8.16072 0.00000 0.00000 99 6D 0 0.00000 -0.00010 -0.00030 0.00000 0.00000 100 6D+1 -0.00313 0.00000 0.00000 -0.00439 0.00011 101 6D-1 0.00000 0.00018 0.00285 0.00000 0.00000 102 6D+2 0.00000 -0.00474 -0.00150 0.00000 0.00000 103 6D-2 -0.00399 0.00000 0.00000 -0.00038 0.00180 104 7D 0 0.00000 -0.00083 -0.01574 0.00000 0.00000 105 7D+1 -0.02140 0.00000 0.00000 0.01004 0.00046 106 7D-1 0.00000 -0.04814 -0.03585 0.00000 0.00000 107 7D+2 0.00000 0.00055 0.00986 0.00000 0.00000 108 7D-2 -0.02542 0.00000 0.00000 0.00127 0.01456 109 5 C 1S 0.00000 -0.01399 0.00000 0.00000 0.00000 110 2S 0.00000 -0.02248 0.00000 0.00000 0.00000 111 2PX 0.06409 0.00000 0.00000 0.00000 -0.05507 112 2PY 0.00000 0.00000 -0.00257 0.00000 0.00000 113 2PZ 0.00000 0.00278 0.00000 0.00000 0.00000 114 3S 0.00000 0.05526 0.00000 0.00000 0.00000 115 3PX 0.08983 0.00000 0.00000 0.00000 -0.09676 116 3PY 0.00000 0.00000 -0.01105 0.00000 0.00000 117 3PZ 0.00000 0.02448 0.00000 0.00000 0.00000 118 4S 0.00000 0.25393 0.00000 0.00000 0.00000 119 4PX 0.20269 0.00000 0.00000 0.00000 -0.12448 120 4PY 0.00000 0.00000 -0.38985 0.00000 0.00000 121 4PZ 0.00000 -0.29306 0.00000 0.00000 0.00000 122 5S 0.00000 18.59913 0.00000 0.00000 0.00000 123 5PX 3.68251 0.00000 0.00000 0.00000 -1.48979 124 5PY 0.00000 0.00000 -27.65607 0.00000 0.00000 125 5PZ 0.00000 -7.24593 0.00000 0.00000 0.00000 126 6D 0 0.00000 -0.00059 0.00000 0.00000 0.00000 127 6D+1 -0.00080 0.00000 0.00000 0.00000 -0.00806 128 6D-1 0.00000 0.00000 -0.00658 0.00000 0.00000 129 6D+2 0.00000 0.00068 0.00000 0.00000 0.00000 130 6D-2 0.00000 0.00000 0.00000 -0.00367 0.00000 131 7D 0 0.00000 0.02774 0.00000 0.00000 0.00000 132 7D+1 0.02545 0.00000 0.00000 0.00000 -0.02597 133 7D-1 0.00000 0.00000 -0.01342 0.00000 0.00000 134 7D+2 0.00000 0.03160 0.00000 0.00000 0.00000 135 7D-2 0.00000 0.00000 0.00000 -0.00696 0.00000 136 6 C 1S 0.00000 0.00457 0.00422 0.00000 0.00000 137 2S 0.00000 0.00742 0.00706 0.00000 0.00000 138 2PX -0.02134 0.00000 0.00000 0.05229 0.10759 139 2PY 0.00000 -0.00187 -0.03271 0.00000 0.00000 140 2PZ 0.00000 -0.00495 0.01365 0.00000 0.00000 141 3S 0.00000 -0.01507 -0.02629 0.00000 0.00000 142 3PX -0.04293 0.00000 0.00000 0.06753 0.14694 143 3PY 0.00000 -0.00486 -0.05963 0.00000 0.00000 144 3PZ 0.00000 -0.00235 0.02150 0.00000 0.00000 145 4S 0.00000 -0.24614 -0.06824 0.00000 0.00000 146 4PX -0.02125 0.00000 0.00000 0.24883 0.37081 147 4PY 0.00000 -0.12722 -0.17101 0.00000 0.00000 148 4PZ 0.00000 0.15496 -0.26038 0.00000 0.00000 149 5S 0.00000 -9.13210 -41.93579 0.00000 0.00000 150 5PX -3.45227 0.00000 0.00000 -1.37761 0.94197 151 5PY 0.00000 -4.00320 -6.61208 0.00000 0.00000 152 5PZ 0.00000 -4.20453 -8.16072 0.00000 0.00000 153 6D 0 0.00000 -0.00010 0.00030 0.00000 0.00000 154 6D+1 -0.00313 0.00000 0.00000 0.00439 0.00011 155 6D-1 0.00000 -0.00018 0.00285 0.00000 0.00000 156 6D+2 0.00000 -0.00474 0.00150 0.00000 0.00000 157 6D-2 0.00399 0.00000 0.00000 -0.00038 -0.00180 158 7D 0 0.00000 -0.00083 0.01574 0.00000 0.00000 159 7D+1 -0.02140 0.00000 0.00000 -0.01004 0.00046 160 7D-1 0.00000 0.04814 -0.03585 0.00000 0.00000 161 7D+2 0.00000 0.00055 -0.00986 0.00000 0.00000 162 7D-2 0.02542 0.00000 0.00000 0.00127 -0.01456 163 7 H 1S 0.00000 0.01285 -0.00655 0.00000 0.00000 164 2S 0.00000 0.00397 -0.08580 0.00000 0.00000 165 3S 0.00000 0.27101 0.20328 0.00000 0.00000 166 4PX -0.01365 0.00000 0.00000 0.00282 0.00773 167 4PY 0.00000 -0.00285 0.00044 0.00000 0.00000 168 4PZ 0.00000 -0.00733 -0.00385 0.00000 0.00000 169 8 Mg 1S 0.00000 -0.00433 0.00000 0.00000 0.00000 170 2S 0.00000 -0.01168 0.00000 0.00000 0.00000 171 3S 0.00000 0.02987 0.00000 0.00000 0.00000 172 4S 0.00000 0.05407 0.00000 0.00000 0.00000 173 5S 0.00000 -0.32462 0.00000 0.00000 0.00000 174 6S 0.00000 5.43074 0.00000 0.00000 0.00000 175 7S 0.00000 -0.93291 0.00000 0.00000 0.00000 176 7PX 1.00488 0.00000 0.00000 0.00000 0.15134 177 7PY 0.00000 0.00000 -0.83412 0.00000 0.00000 178 7PZ 0.00000 -0.74241 0.00000 0.00000 0.00000 179 8PX -0.03839 0.00000 0.00000 0.00000 0.00385 180 8PY 0.00000 0.00000 0.05164 0.00000 0.00000 181 8PZ 0.00000 -0.00079 0.00000 0.00000 0.00000 182 9PX -0.04987 0.00000 0.00000 0.00000 0.00499 183 9PY 0.00000 0.00000 0.07269 0.00000 0.00000 184 9PZ 0.00000 -0.00360 0.00000 0.00000 0.00000 185 10PX 0.05514 0.00000 0.00000 0.00000 -0.00448 186 10PY 0.00000 0.00000 -0.15527 0.00000 0.00000 187 10PZ 0.00000 0.04649 0.00000 0.00000 0.00000 188 11PX 0.40254 0.00000 0.00000 0.00000 -0.04358 189 11PY 0.00000 0.00000 0.06706 0.00000 0.00000 190 11PZ 0.00000 -0.73315 0.00000 0.00000 0.00000 191 12PX -1.12068 0.00000 0.00000 0.00000 0.96530 192 12PY 0.00000 0.00000 3.38609 0.00000 0.00000 193 12PZ 0.00000 -6.16904 0.00000 0.00000 0.00000 194 13D 0 0.00000 0.01262 0.00000 0.00000 0.00000 195 13D+1 0.00017 0.00000 0.00000 0.00000 0.04521 196 13D-1 0.00000 0.00000 0.01119 0.00000 0.00000 197 13D+2 0.00000 0.03707 0.00000 0.00000 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.04189 0.00000 199 14D 0 0.00000 0.12368 0.00000 0.00000 0.00000 200 14D+1 0.26572 0.00000 0.00000 0.00000 0.24057 201 14D-1 0.00000 0.00000 -0.45802 0.00000 0.00000 202 14D+2 0.00000 0.24807 0.00000 0.00000 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.43234 0.00000 204 9 Br 1S 0.00000 0.00156 0.00000 0.00000 0.00000 205 2S 0.00000 0.00503 0.00000 0.00000 0.00000 206 3S 0.00000 -0.01342 0.00000 0.00000 0.00000 207 4S 0.00000 -0.01791 0.00000 0.00000 0.00000 208 5S 0.00000 0.03738 0.00000 0.00000 0.00000 209 6S 0.00000 0.03959 0.00000 0.00000 0.00000 210 7S 0.00000 -0.07791 0.00000 0.00000 0.00000 211 8S 0.00000 -0.31954 0.00000 0.00000 0.00000 212 9S 0.00000 5.64680 0.00000 0.00000 0.00000 213 9PX -0.50892 0.00000 0.00000 0.00000 -0.62752 214 9PY 0.00000 0.00000 -0.55557 0.00000 0.00000 215 9PZ 0.00000 -1.00964 0.00000 0.00000 0.00000 216 10PX 0.00029 0.00000 0.00000 0.00000 -0.00043 217 10PY 0.00000 0.00000 0.00078 0.00000 0.00000 218 10PZ 0.00000 -0.00119 0.00000 0.00000 0.00000 219 11PX 0.00237 0.00000 0.00000 0.00000 -0.00361 220 11PY 0.00000 0.00000 0.00643 0.00000 0.00000 221 11PZ 0.00000 -0.00974 0.00000 0.00000 0.00000 222 12PX -0.00586 0.00000 0.00000 0.00000 0.00967 223 12PY 0.00000 0.00000 -0.01697 0.00000 0.00000 224 12PZ 0.00000 0.02520 0.00000 0.00000 0.00000 225 13PX -0.00737 0.00000 0.00000 0.00000 0.00219 226 13PY 0.00000 0.00000 -0.00677 0.00000 0.00000 227 13PZ 0.00000 0.01683 0.00000 0.00000 0.00000 228 14PX 0.01713 0.00000 0.00000 0.00000 -0.00565 229 14PY 0.00000 0.00000 0.01660 0.00000 0.00000 230 14PZ 0.00000 -0.04045 0.00000 0.00000 0.00000 231 15PX -0.00767 0.00000 0.00000 0.00000 -0.02589 232 15PY 0.00000 0.00000 0.03190 0.00000 0.00000 233 15PZ 0.00000 -0.01635 0.00000 0.00000 0.00000 234 16PX 0.05363 0.00000 0.00000 0.00000 -0.03309 235 16PY 0.00000 0.00000 0.11320 0.00000 0.00000 236 16PZ 0.00000 -0.29186 0.00000 0.00000 0.00000 237 17D 0 0.00000 0.00831 0.00000 0.00000 0.00000 238 17D+1 0.02095 0.00000 0.00000 0.00000 0.02131 239 17D-1 0.00000 0.00000 -0.01380 0.00000 0.00000 240 17D+2 0.00000 -0.01267 0.00000 0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 -0.01686 0.00000 242 18D 0 0.00000 0.00798 0.00000 0.00000 0.00000 243 18D+1 0.00944 0.00000 0.00000 0.00000 0.00852 244 18D-1 0.00000 0.00000 -0.00808 0.00000 0.00000 245 18D+2 0.00000 -0.00178 0.00000 0.00000 0.00000 246 18D-2 0.00000 0.00000 0.00000 -0.00297 0.00000 247 19D 0 0.00000 -0.01654 0.00000 0.00000 0.00000 248 19D+1 -0.02163 0.00000 0.00000 0.00000 -0.01999 249 19D-1 0.00000 0.00000 0.01784 0.00000 0.00000 250 19D+2 0.00000 0.00573 0.00000 0.00000 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00880 0.00000 252 20D 0 0.00000 0.00539 0.00000 0.00000 0.00000 253 20D+1 -0.05897 0.00000 0.00000 0.00000 -0.06950 254 20D-1 0.00000 0.00000 0.02485 0.00000 0.00000 255 20D+2 0.00000 0.05797 0.00000 0.00000 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.07406 0.00000 257 10 H 1S 0.00000 0.01285 0.00655 0.00000 0.00000 258 2S 0.00000 0.00397 0.08580 0.00000 0.00000 259 3S 0.00000 0.27101 -0.20328 0.00000 0.00000 260 4PX -0.01365 0.00000 0.00000 -0.00282 0.00773 261 4PY 0.00000 0.00285 0.00044 0.00000 0.00000 262 4PZ 0.00000 -0.00733 0.00385 0.00000 0.00000 263 11 H 1S 0.00000 0.01542 0.01107 0.00000 0.00000 264 2S 0.00000 -0.03614 -0.04852 0.00000 0.00000 265 3S 0.00000 0.70328 0.49490 0.00000 0.00000 266 4PX 0.01106 0.00000 0.00000 -0.00065 -0.00925 267 4PY 0.00000 0.00634 -0.00137 0.00000 0.00000 268 4PZ 0.00000 0.00235 -0.00838 0.00000 0.00000 269 12 H 1S 0.00000 0.02522 0.00000 0.00000 0.00000 270 2S 0.00000 0.05633 0.00000 0.00000 0.00000 271 3S 0.00000 0.25177 0.00000 0.00000 0.00000 272 4PX -0.00984 0.00000 0.00000 0.00000 0.01416 273 4PY 0.00000 0.00000 0.00824 0.00000 0.00000 274 4PZ 0.00000 -0.00555 0.00000 0.00000 0.00000 275 13 H 1S 0.00000 0.01542 -0.01107 0.00000 0.00000 276 2S 0.00000 -0.03614 0.04852 0.00000 0.00000 277 3S 0.00000 0.70328 -0.49490 0.00000 0.00000 278 4PX 0.01106 0.00000 0.00000 0.00065 -0.00925 279 4PY 0.00000 -0.00634 -0.00137 0.00000 0.00000 280 4PZ 0.00000 0.00235 0.00838 0.00000 0.00000 71 72 73 74 75 (A1)--V (B2)--V (B2)--V (B1)--V (A1)--V Eigenvalues -- 0.13035 0.13362 0.14419 0.15504 0.16678 1 1 C 1S 0.00605 -0.00223 -0.00927 0.00000 -0.00849 2 2S 0.01008 -0.00366 -0.01497 0.00000 -0.01325 3 2PX 0.00000 0.00000 0.00000 0.03810 0.00000 4 2PY -0.01288 -0.02419 0.00673 0.00000 -0.02516 5 2PZ -0.01389 0.00868 0.03103 0.00000 -0.01787 6 3S -0.03550 0.00648 0.02960 0.00000 0.01709 7 3PX 0.00000 0.00000 0.00000 0.04381 0.00000 8 3PY -0.01716 -0.02372 0.00644 0.00000 -0.02842 9 3PZ -0.02429 0.01109 0.02644 0.00000 -0.01830 10 4S -0.04489 0.14683 0.36883 0.00000 0.62824 11 4PX 0.00000 0.00000 0.00000 0.24426 0.00000 12 4PY 0.06558 0.01301 0.04521 0.00000 -0.20981 13 4PZ 0.05200 -0.00118 0.22066 0.00000 0.12514 14 5S 14.73775 7.35296 -0.02108 0.00000 -0.41157 15 5PX 0.00000 0.00000 0.00000 -0.90390 0.00000 16 5PY 2.56704 3.71157 -1.53860 0.00000 2.44928 17 5PZ 5.02554 -0.86608 3.51165 0.00000 -4.94923 18 6D 0 -0.00339 -0.00260 0.00426 0.00000 0.00616 19 6D+1 0.00000 0.00000 0.00000 0.00160 0.00000 20 6D-1 -0.00383 -0.00019 0.00323 0.00000 -0.00874 21 6D+2 0.00277 0.00598 -0.00549 0.00000 0.00565 22 6D-2 0.00000 0.00000 0.00000 -0.00199 0.00000 23 7D 0 -0.02792 0.01352 0.00869 0.00000 0.02332 24 7D+1 0.00000 0.00000 0.00000 0.01769 0.00000 25 7D-1 0.01020 0.00140 0.01462 0.00000 0.04092 26 7D+2 -0.02067 0.01016 -0.01683 0.00000 0.01960 27 7D-2 0.00000 0.00000 0.00000 0.01694 0.00000 28 2 C 1S -0.00270 0.00000 0.00000 0.00000 -0.00604 29 2S -0.00464 0.00000 0.00000 0.00000 -0.01001 30 2PX 0.00000 0.00000 0.00000 -0.05758 0.00000 31 2PY 0.00000 0.03035 0.00473 0.00000 0.00000 32 2PZ 0.00935 0.00000 0.00000 0.00000 -0.04554 33 3S 0.02845 0.00000 0.00000 0.00000 0.03299 34 3PX 0.00000 0.00000 0.00000 -0.07610 0.00000 35 3PY 0.00000 0.03231 0.01827 0.00000 0.00000 36 3PZ 0.03389 0.00000 0.00000 0.00000 -0.04414 37 4S -0.20307 0.00000 0.00000 0.00000 0.50443 38 4PX 0.00000 0.00000 0.00000 -0.31175 0.00000 39 4PY 0.00000 0.28433 -0.02077 0.00000 0.00000 40 4PZ -0.22276 0.00000 0.00000 0.00000 -0.28792 41 5S -4.85743 0.00000 0.00000 0.00000 -9.06820 42 5PX 0.00000 0.00000 0.00000 1.56818 0.00000 43 5PY 0.00000 1.05894 -5.28579 0.00000 0.00000 44 5PZ -3.44862 0.00000 0.00000 0.00000 1.00340 45 6D 0 -0.00256 0.00000 0.00000 0.00000 -0.01375 46 6D+1 0.00000 0.00000 0.00000 0.00407 0.00000 47 6D-1 0.00000 0.00343 -0.00303 0.00000 0.00000 48 6D+2 0.00449 0.00000 0.00000 0.00000 -0.00253 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 -0.07150 0.00000 0.00000 0.00000 -0.05122 51 7D+1 0.00000 0.00000 0.00000 -0.00121 0.00000 52 7D-1 0.00000 0.02310 0.01958 0.00000 0.00000 53 7D+2 -0.00129 0.00000 0.00000 0.00000 -0.01620 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.00605 0.00223 0.00927 0.00000 -0.00849 56 2S 0.01008 0.00366 0.01497 0.00000 -0.01325 57 2PX 0.00000 0.00000 0.00000 0.03810 0.00000 58 2PY 0.01288 -0.02419 0.00673 0.00000 0.02516 59 2PZ -0.01389 -0.00868 -0.03103 0.00000 -0.01787 60 3S -0.03550 -0.00648 -0.02960 0.00000 0.01709 61 3PX 0.00000 0.00000 0.00000 0.04381 0.00000 62 3PY 0.01716 -0.02372 0.00644 0.00000 0.02842 63 3PZ -0.02429 -0.01109 -0.02644 0.00000 -0.01830 64 4S -0.04489 -0.14683 -0.36883 0.00000 0.62824 65 4PX 0.00000 0.00000 0.00000 0.24426 0.00000 66 4PY -0.06558 0.01301 0.04521 0.00000 0.20981 67 4PZ 0.05200 0.00118 -0.22066 0.00000 0.12514 68 5S 14.73775 -7.35296 0.02108 0.00000 -0.41157 69 5PX 0.00000 0.00000 0.00000 -0.90390 0.00000 70 5PY -2.56704 3.71157 -1.53860 0.00000 -2.44928 71 5PZ 5.02554 0.86608 -3.51165 0.00000 -4.94923 72 6D 0 -0.00339 0.00260 -0.00426 0.00000 0.00616 73 6D+1 0.00000 0.00000 0.00000 0.00160 0.00000 74 6D-1 0.00383 -0.00019 0.00323 0.00000 0.00874 75 6D+2 0.00277 -0.00598 0.00549 0.00000 0.00565 76 6D-2 0.00000 0.00000 0.00000 0.00199 0.00000 77 7D 0 -0.02792 -0.01352 -0.00869 0.00000 0.02332 78 7D+1 0.00000 0.00000 0.00000 0.01769 0.00000 79 7D-1 -0.01020 0.00140 0.01462 0.00000 -0.04092 80 7D+2 -0.02067 -0.01016 0.01683 0.00000 0.01960 81 7D-2 0.00000 0.00000 0.00000 -0.01694 0.00000 82 4 C 1S 0.00221 -0.01388 -0.00582 0.00000 -0.01164 83 2S 0.00373 -0.02256 -0.00986 0.00000 -0.01925 84 2PX 0.00000 0.00000 0.00000 -0.01286 0.00000 85 2PY 0.00536 -0.00654 0.01754 0.00000 0.02213 86 2PZ 0.01341 0.01421 0.03336 0.00000 -0.00662 87 3S -0.01764 0.04823 0.03849 0.00000 0.06564 88 3PX 0.00000 0.00000 0.00000 -0.01180 0.00000 89 3PY 0.00531 0.00270 0.01894 0.00000 0.02953 90 3PZ 0.02663 0.02292 0.02584 0.00000 0.00205 91 4S 0.16433 0.66164 0.06683 0.00000 -0.19975 92 4PX 0.00000 0.00000 0.00000 -0.06732 0.00000 93 4PY -0.12758 -0.26573 0.15164 0.00000 0.45597 94 4PZ 0.03279 0.12398 0.06308 0.00000 0.23619 95 5S -26.88980 20.18913 17.46393 0.00000 -14.60898 96 5PX 0.00000 0.00000 0.00000 -2.03967 0.00000 97 5PY 5.58626 -4.82946 -2.08756 0.00000 7.42067 98 5PZ -0.87320 2.57129 -3.42655 0.00000 -0.79511 99 6D 0 -0.00454 -0.00024 -0.00769 0.00000 0.00055 100 6D+1 0.00000 0.00000 0.00000 -0.00545 0.00000 101 6D-1 -0.00289 0.00093 -0.00279 0.00000 -0.00578 102 6D+2 -0.00168 -0.00536 0.00537 0.00000 -0.00027 103 6D-2 0.00000 0.00000 0.00000 0.00310 0.00000 104 7D 0 -0.01997 -0.01568 -0.00674 0.00000 0.00575 105 7D+1 0.00000 0.00000 0.00000 0.00285 0.00000 106 7D-1 -0.03126 -0.00868 -0.00916 0.00000 -0.04241 107 7D+2 -0.03106 -0.04036 0.01871 0.00000 0.02164 108 7D-2 0.00000 0.00000 0.00000 -0.01068 0.00000 109 5 C 1S -0.00641 0.00000 0.00000 0.00000 -0.01147 110 2S -0.01046 0.00000 0.00000 0.00000 -0.01976 111 2PX 0.00000 0.00000 0.00000 -0.09199 0.00000 112 2PY 0.00000 0.01762 -0.00952 0.00000 0.00000 113 2PZ -0.03350 0.00000 0.00000 0.00000 0.00468 114 3S 0.03522 0.00000 0.00000 0.00000 0.07382 115 3PX 0.00000 0.00000 0.00000 -0.10430 0.00000 116 3PY 0.00000 -0.00685 -0.00296 0.00000 0.00000 117 3PZ -0.04940 0.00000 0.00000 0.00000 0.04105 118 4S -0.19788 0.00000 0.00000 0.00000 0.15175 119 4PX 0.00000 0.00000 0.00000 -0.45466 0.00000 120 4PY 0.00000 -0.29819 -0.02113 0.00000 0.00000 121 4PZ 0.35676 0.00000 0.00000 0.00000 -0.71349 122 5S 40.72516 0.00000 0.00000 0.00000 33.96431 123 5PX 0.00000 0.00000 0.00000 5.88570 0.00000 124 5PY 0.00000 -14.78648 -4.39511 0.00000 0.00000 125 5PZ 1.10598 0.00000 0.00000 0.00000 -15.98214 126 6D 0 0.00136 0.00000 0.00000 0.00000 -0.00648 127 6D+1 0.00000 0.00000 0.00000 0.00112 0.00000 128 6D-1 0.00000 -0.00909 -0.00285 0.00000 0.00000 129 6D+2 0.00044 0.00000 0.00000 0.00000 0.00024 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00775 0.00000 0.00000 0.00000 0.03453 132 7D+1 0.00000 0.00000 0.00000 0.01776 0.00000 133 7D-1 0.00000 0.00910 -0.03616 0.00000 0.00000 134 7D+2 0.01930 0.00000 0.00000 0.00000 0.00880 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S 0.00221 0.01388 0.00582 0.00000 -0.01164 137 2S 0.00373 0.02256 0.00986 0.00000 -0.01925 138 2PX 0.00000 0.00000 0.00000 -0.01286 0.00000 139 2PY -0.00536 -0.00654 0.01754 0.00000 -0.02213 140 2PZ 0.01341 -0.01421 -0.03336 0.00000 -0.00662 141 3S -0.01764 -0.04823 -0.03849 0.00000 0.06564 142 3PX 0.00000 0.00000 0.00000 -0.01180 0.00000 143 3PY -0.00531 0.00270 0.01894 0.00000 -0.02953 144 3PZ 0.02663 -0.02292 -0.02584 0.00000 0.00205 145 4S 0.16433 -0.66164 -0.06683 0.00000 -0.19975 146 4PX 0.00000 0.00000 0.00000 -0.06732 0.00000 147 4PY 0.12758 -0.26573 0.15164 0.00000 -0.45597 148 4PZ 0.03279 -0.12398 -0.06308 0.00000 0.23619 149 5S -26.88980 -20.18913 -17.46393 0.00000 -14.60898 150 5PX 0.00000 0.00000 0.00000 -2.03967 0.00000 151 5PY -5.58626 -4.82946 -2.08756 0.00000 -7.42067 152 5PZ -0.87320 -2.57129 3.42655 0.00000 -0.79511 153 6D 0 -0.00454 0.00024 0.00769 0.00000 0.00055 154 6D+1 0.00000 0.00000 0.00000 -0.00545 0.00000 155 6D-1 0.00289 0.00093 -0.00279 0.00000 0.00578 156 6D+2 -0.00168 0.00536 -0.00537 0.00000 -0.00027 157 6D-2 0.00000 0.00000 0.00000 -0.00310 0.00000 158 7D 0 -0.01997 0.01568 0.00674 0.00000 0.00575 159 7D+1 0.00000 0.00000 0.00000 0.00285 0.00000 160 7D-1 0.03126 -0.00868 -0.00916 0.00000 0.04241 161 7D+2 -0.03106 0.04036 -0.01871 0.00000 0.02164 162 7D-2 0.00000 0.00000 0.00000 0.01068 0.00000 163 7 H 1S 0.00363 -0.02404 0.02450 0.00000 -0.01088 164 2S -0.00193 0.02590 0.01856 0.00000 -0.04296 165 3S 0.12471 -0.68920 0.76897 0.00000 -0.61795 166 4PX 0.00000 0.00000 0.00000 -0.00403 0.00000 167 4PY -0.00417 0.00346 -0.00790 0.00000 0.00105 168 4PZ -0.00852 0.00415 0.01151 0.00000 -0.00565 169 8 Mg 1S 0.01020 0.00000 0.00000 0.00000 -0.00528 170 2S 0.02783 0.00000 0.00000 0.00000 -0.01447 171 3S -0.07470 0.00000 0.00000 0.00000 0.03972 172 4S -0.11335 0.00000 0.00000 0.00000 0.05493 173 5S 0.42395 0.00000 0.00000 0.00000 -0.54201 174 6S -8.36085 0.00000 0.00000 0.00000 16.39776 175 7S 0.86942 0.00000 0.00000 0.00000 -0.81035 176 7PX 0.00000 0.00000 0.00000 0.20945 0.00000 177 7PY 0.00000 -0.37619 -0.60230 0.00000 0.00000 178 7PZ 0.55778 0.00000 0.00000 0.00000 0.51584 179 8PX 0.00000 0.00000 0.00000 0.00484 0.00000 180 8PY 0.00000 0.01556 0.02783 0.00000 0.00000 181 8PZ -0.01471 0.00000 0.00000 0.00000 -0.00178 182 9PX 0.00000 0.00000 0.00000 0.00280 0.00000 183 9PY 0.00000 0.02293 0.03462 0.00000 0.00000 184 9PZ -0.01635 0.00000 0.00000 0.00000 -0.00572 185 10PX 0.00000 0.00000 0.00000 0.03790 0.00000 186 10PY 0.00000 -0.06280 -0.01641 0.00000 0.00000 187 10PZ -0.05199 0.00000 0.00000 0.00000 0.05622 188 11PX 0.00000 0.00000 0.00000 -0.32316 0.00000 189 11PY 0.00000 0.21265 -0.45672 0.00000 0.00000 190 11PZ 1.23879 0.00000 0.00000 0.00000 -0.93928 191 12PX 0.00000 0.00000 0.00000 -2.02110 0.00000 192 12PY 0.00000 3.68955 3.07427 0.00000 0.00000 193 12PZ 5.42592 0.00000 0.00000 0.00000 2.14160 194 13D 0 -0.02145 0.00000 0.00000 0.00000 0.00676 195 13D+1 0.00000 0.00000 0.00000 -0.03979 0.00000 196 13D-1 0.00000 0.05565 0.03870 0.00000 0.00000 197 13D+2 0.02647 0.00000 0.00000 0.00000 0.03627 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 -0.31540 0.00000 0.00000 0.00000 0.59763 200 14D+1 0.00000 0.00000 0.00000 0.17271 0.00000 201 14D-1 0.00000 -0.13302 -0.03321 0.00000 0.00000 202 14D+2 0.11882 0.00000 0.00000 0.00000 0.45898 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00035 0.00000 0.00000 0.00000 -0.00035 205 2S 0.00116 0.00000 0.00000 0.00000 -0.00115 206 3S -0.00322 0.00000 0.00000 0.00000 0.00333 207 4S -0.00347 0.00000 0.00000 0.00000 0.00290 208 5S 0.00645 0.00000 0.00000 0.00000 -0.00453 209 6S 0.01323 0.00000 0.00000 0.00000 -0.01731 210 7S -0.03362 0.00000 0.00000 0.00000 0.06751 211 8S 0.08084 0.00000 0.00000 0.00000 -0.24990 212 9S -3.37512 0.00000 0.00000 0.00000 -7.25179 213 9PX 0.00000 0.00000 0.00000 0.47630 0.00000 214 9PY 0.00000 -0.93947 -0.60155 0.00000 0.00000 215 9PZ -0.05354 0.00000 0.00000 0.00000 2.79167 216 10PX 0.00000 0.00000 0.00000 0.00114 0.00000 217 10PY 0.00000 -0.00134 -0.00113 0.00000 0.00000 218 10PZ 0.00287 0.00000 0.00000 0.00000 0.00041 219 11PX 0.00000 0.00000 0.00000 0.00945 0.00000 220 11PY 0.00000 -0.01107 -0.00937 0.00000 0.00000 221 11PZ 0.02361 0.00000 0.00000 0.00000 0.00335 222 12PX 0.00000 0.00000 0.00000 -0.02518 0.00000 223 12PY 0.00000 0.02934 0.02488 0.00000 0.00000 224 12PZ -0.06184 0.00000 0.00000 0.00000 -0.00853 225 13PX 0.00000 0.00000 0.00000 -0.00768 0.00000 226 13PY 0.00000 0.01062 0.00858 0.00000 0.00000 227 13PZ -0.03138 0.00000 0.00000 0.00000 -0.00778 228 14PX 0.00000 0.00000 0.00000 0.01893 0.00000 229 14PY 0.00000 -0.02587 -0.02102 0.00000 0.00000 230 14PZ 0.07529 0.00000 0.00000 0.00000 0.01903 231 15PX 0.00000 0.00000 0.00000 0.06673 0.00000 232 15PY 0.00000 -0.06864 -0.06049 0.00000 0.00000 233 15PZ 0.09634 0.00000 0.00000 0.00000 -0.00949 234 16PX 0.00000 0.00000 0.00000 0.00311 0.00000 235 16PY 0.00000 -0.04077 -0.03857 0.00000 0.00000 236 16PZ 0.43097 0.00000 0.00000 0.00000 0.33728 237 17D 0 -0.01509 0.00000 0.00000 0.00000 0.00646 238 17D+1 0.00000 0.00000 0.00000 -0.01890 0.00000 239 17D-1 0.00000 0.02310 0.01027 0.00000 0.00000 240 17D+2 -0.00820 0.00000 0.00000 0.00000 -0.01873 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 -0.01033 0.00000 0.00000 0.00000 0.00218 243 18D+1 0.00000 0.00000 0.00000 -0.00285 0.00000 244 18D-1 0.00000 0.00571 0.00126 0.00000 0.00000 245 18D+2 -0.00070 0.00000 0.00000 0.00000 -0.00334 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.02243 0.00000 0.00000 0.00000 -0.00528 248 19D+1 0.00000 0.00000 0.00000 0.00906 0.00000 249 19D-1 0.00000 -0.01504 -0.00427 0.00000 0.00000 250 19D+2 0.00293 0.00000 0.00000 0.00000 0.01019 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00793 0.00000 0.00000 0.00000 -0.02539 253 20D+1 0.00000 0.00000 0.00000 0.09310 0.00000 254 20D-1 0.00000 -0.10005 -0.05346 0.00000 0.00000 255 20D+2 0.04033 0.00000 0.00000 0.00000 0.08539 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.00363 0.02404 -0.02450 0.00000 -0.01088 258 2S -0.00193 -0.02590 -0.01856 0.00000 -0.04296 259 3S 0.12471 0.68920 -0.76897 0.00000 -0.61795 260 4PX 0.00000 0.00000 0.00000 -0.00403 0.00000 261 4PY 0.00417 0.00346 -0.00790 0.00000 -0.00105 262 4PZ -0.00852 -0.00415 -0.01151 0.00000 -0.00565 263 11 H 1S -0.01535 0.02070 -0.02425 0.00000 -0.03947 264 2S -0.03026 0.02109 0.00191 0.00000 -0.11618 265 3S -0.15463 0.45738 -0.63937 0.00000 -0.73233 266 4PX 0.00000 0.00000 0.00000 -0.00237 0.00000 267 4PY 0.00221 0.00768 -0.00297 0.00000 -0.00202 268 4PZ 0.00644 0.00004 0.00602 0.00000 -0.00453 269 12 H 1S -0.02030 0.00000 0.00000 0.00000 -0.05698 270 2S 0.06142 0.00000 0.00000 0.00000 -0.09858 271 3S -0.84813 0.00000 0.00000 0.00000 -1.21897 272 4PX 0.00000 0.00000 0.00000 -0.00616 0.00000 273 4PY 0.00000 -0.00720 0.00005 0.00000 0.00000 274 4PZ 0.00801 0.00000 0.00000 0.00000 0.01307 275 13 H 1S -0.01535 -0.02070 0.02425 0.00000 -0.03947 276 2S -0.03026 -0.02109 -0.00191 0.00000 -0.11618 277 3S -0.15463 -0.45738 0.63937 0.00000 -0.73233 278 4PX 0.00000 0.00000 0.00000 -0.00237 0.00000 279 4PY -0.00221 0.00768 -0.00297 0.00000 0.00202 280 4PZ 0.00644 -0.00004 -0.00602 0.00000 -0.00453 76 77 78 79 80 (B1)--V (B2)--V (A2)--V (A1)--V (B1)--V Eigenvalues -- 0.16789 0.16834 0.17111 0.17700 0.18540 1 1 C 1S 0.00000 0.01268 0.00000 -0.00487 0.00000 2 2S 0.00000 0.02064 0.00000 -0.00730 0.00000 3 2PX 0.05092 0.00000 -0.02402 0.00000 -0.09212 4 2PY 0.00000 -0.02136 0.00000 -0.01896 0.00000 5 2PZ 0.00000 -0.00729 0.00000 -0.01539 0.00000 6 3S 0.00000 -0.06041 0.00000 0.00312 0.00000 7 3PX 0.07027 0.00000 -0.02599 0.00000 -0.13193 8 3PY 0.00000 -0.02969 0.00000 -0.02498 0.00000 9 3PZ 0.00000 -0.01845 0.00000 -0.02020 0.00000 10 4S 0.00000 0.05619 0.00000 0.52828 0.00000 11 4PX 0.21202 0.00000 -0.16380 0.00000 -0.45332 12 4PY 0.00000 0.20445 0.00000 0.12948 0.00000 13 4PZ 0.00000 0.08354 0.00000 -0.18865 0.00000 14 5S 0.00000 -23.19874 0.00000 16.72625 0.00000 15 5PX 0.97769 0.00000 1.81755 0.00000 4.94451 16 5PY 0.00000 3.31624 0.00000 -7.17994 0.00000 17 5PZ 0.00000 0.67421 0.00000 12.85325 0.00000 18 6D 0 0.00000 0.00250 0.00000 -0.00038 0.00000 19 6D+1 -0.00171 0.00000 0.00163 0.00000 0.00049 20 6D-1 0.00000 -0.00404 0.00000 -0.00956 0.00000 21 6D+2 0.00000 0.00195 0.00000 -0.00027 0.00000 22 6D-2 -0.00333 0.00000 0.00011 0.00000 0.00609 23 7D 0 0.00000 0.01757 0.00000 -0.03138 0.00000 24 7D+1 -0.01271 0.00000 -0.01346 0.00000 0.01218 25 7D-1 0.00000 -0.00160 0.00000 -0.01086 0.00000 26 7D+2 0.00000 -0.01747 0.00000 -0.01335 0.00000 27 7D-2 -0.00565 0.00000 -0.00522 0.00000 0.01195 28 2 C 1S 0.00000 0.00000 0.00000 -0.02015 0.00000 29 2S 0.00000 0.00000 0.00000 -0.03253 0.00000 30 2PX -0.05181 0.00000 0.00000 0.00000 0.09033 31 2PY 0.00000 -0.01497 0.00000 0.00000 0.00000 32 2PZ 0.00000 0.00000 0.00000 -0.00513 0.00000 33 3S 0.00000 0.00000 0.00000 0.08632 0.00000 34 3PX -0.07582 0.00000 0.00000 0.00000 0.11433 35 3PY 0.00000 -0.01588 0.00000 0.00000 0.00000 36 3PZ 0.00000 0.00000 0.00000 -0.01088 0.00000 37 4S 0.00000 0.00000 0.00000 0.20848 0.00000 38 4PX -0.22774 0.00000 0.00000 0.00000 0.51083 39 4PY 0.00000 0.18644 0.00000 0.00000 0.00000 40 4PZ 0.00000 0.00000 0.00000 -0.38463 0.00000 41 5S 0.00000 0.00000 0.00000 25.61870 0.00000 42 5PX -0.53901 0.00000 0.00000 0.00000 -5.07565 43 5PY 0.00000 -10.15424 0.00000 0.00000 0.00000 44 5PZ 0.00000 0.00000 0.00000 -2.74033 0.00000 45 6D 0 0.00000 0.00000 0.00000 -0.00368 0.00000 46 6D+1 0.00244 0.00000 0.00000 0.00000 -0.00486 47 6D-1 0.00000 0.00706 0.00000 0.00000 0.00000 48 6D+2 0.00000 0.00000 0.00000 -0.00504 0.00000 49 6D-2 0.00000 0.00000 0.00235 0.00000 0.00000 50 7D 0 0.00000 0.00000 0.00000 -0.00905 0.00000 51 7D+1 0.00532 0.00000 0.00000 0.00000 0.01848 52 7D-1 0.00000 0.07578 0.00000 0.00000 0.00000 53 7D+2 0.00000 0.00000 0.00000 0.02141 0.00000 54 7D-2 0.00000 0.00000 -0.00835 0.00000 0.00000 55 3 C 1S 0.00000 -0.01268 0.00000 -0.00487 0.00000 56 2S 0.00000 -0.02064 0.00000 -0.00730 0.00000 57 2PX 0.05092 0.00000 0.02402 0.00000 -0.09212 58 2PY 0.00000 -0.02136 0.00000 0.01896 0.00000 59 2PZ 0.00000 0.00729 0.00000 -0.01539 0.00000 60 3S 0.00000 0.06041 0.00000 0.00312 0.00000 61 3PX 0.07027 0.00000 0.02599 0.00000 -0.13193 62 3PY 0.00000 -0.02969 0.00000 0.02498 0.00000 63 3PZ 0.00000 0.01845 0.00000 -0.02020 0.00000 64 4S 0.00000 -0.05619 0.00000 0.52828 0.00000 65 4PX 0.21202 0.00000 0.16380 0.00000 -0.45332 66 4PY 0.00000 0.20445 0.00000 -0.12948 0.00000 67 4PZ 0.00000 -0.08354 0.00000 -0.18865 0.00000 68 5S 0.00000 23.19874 0.00000 16.72625 0.00000 69 5PX 0.97769 0.00000 -1.81755 0.00000 4.94451 70 5PY 0.00000 3.31624 0.00000 7.17994 0.00000 71 5PZ 0.00000 -0.67421 0.00000 12.85325 0.00000 72 6D 0 0.00000 -0.00250 0.00000 -0.00038 0.00000 73 6D+1 -0.00171 0.00000 -0.00163 0.00000 0.00049 74 6D-1 0.00000 -0.00404 0.00000 0.00956 0.00000 75 6D+2 0.00000 -0.00195 0.00000 -0.00027 0.00000 76 6D-2 0.00333 0.00000 0.00011 0.00000 -0.00609 77 7D 0 0.00000 -0.01757 0.00000 -0.03138 0.00000 78 7D+1 -0.01271 0.00000 0.01346 0.00000 0.01218 79 7D-1 0.00000 -0.00160 0.00000 0.01086 0.00000 80 7D+2 0.00000 0.01747 0.00000 -0.01335 0.00000 81 7D-2 0.00565 0.00000 -0.00522 0.00000 -0.01195 82 4 C 1S 0.00000 0.00996 0.00000 -0.01060 0.00000 83 2S 0.00000 0.01616 0.00000 -0.01779 0.00000 84 2PX -0.04085 0.00000 -0.03375 0.00000 0.05988 85 2PY 0.00000 0.00342 0.00000 0.03017 0.00000 86 2PZ 0.00000 0.00060 0.00000 0.03481 0.00000 87 3S 0.00000 -0.04348 0.00000 0.06512 0.00000 88 3PX -0.06473 0.00000 -0.03522 0.00000 0.08828 89 3PY 0.00000 0.00738 0.00000 0.03674 0.00000 90 3PZ 0.00000 -0.00065 0.00000 0.04502 0.00000 91 4S 0.00000 0.02444 0.00000 -0.01765 0.00000 92 4PX -0.15448 0.00000 -0.23990 0.00000 0.26879 93 4PY 0.00000 -0.22912 0.00000 0.59671 0.00000 94 4PZ 0.00000 -0.07626 0.00000 0.07425 0.00000 95 5S 0.00000 38.69308 0.00000 -24.49940 0.00000 96 5PX -1.16814 0.00000 2.26549 0.00000 -5.40803 97 5PY 0.00000 -13.45711 0.00000 -4.51359 0.00000 98 5PZ 0.00000 15.89105 0.00000 11.81024 0.00000 99 6D 0 0.00000 0.00304 0.00000 0.00023 0.00000 100 6D+1 0.00013 0.00000 -0.00233 0.00000 0.00385 101 6D-1 0.00000 0.00439 0.00000 -0.00829 0.00000 102 6D+2 0.00000 0.00262 0.00000 0.00525 0.00000 103 6D-2 -0.00476 0.00000 0.00091 0.00000 0.00005 104 7D 0 0.00000 0.03132 0.00000 0.02084 0.00000 105 7D+1 -0.01211 0.00000 -0.00580 0.00000 -0.00933 106 7D-1 0.00000 0.02548 0.00000 -0.01832 0.00000 107 7D+2 0.00000 0.00256 0.00000 0.03064 0.00000 108 7D-2 -0.01906 0.00000 0.01663 0.00000 -0.01711 109 5 C 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 110 2S 0.00000 0.00000 0.00000 -0.00045 0.00000 111 2PX 0.08381 0.00000 0.00000 0.00000 -0.04835 112 2PY 0.00000 -0.02486 0.00000 0.00000 0.00000 113 2PZ 0.00000 0.00000 0.00000 0.00040 0.00000 114 3S 0.00000 0.00000 0.00000 0.00453 0.00000 115 3PX 0.11437 0.00000 0.00000 0.00000 -0.06847 116 3PY 0.00000 -0.01867 0.00000 0.00000 0.00000 117 3PZ 0.00000 0.00000 0.00000 0.00366 0.00000 118 4S 0.00000 0.00000 0.00000 0.34863 0.00000 119 4PX 0.35210 0.00000 0.00000 0.00000 -0.20452 120 4PY 0.00000 -0.30971 0.00000 0.00000 0.00000 121 4PZ 0.00000 0.00000 0.00000 -0.55266 0.00000 122 5S 0.00000 0.00000 0.00000 -16.53419 0.00000 123 5PX -0.07692 0.00000 0.00000 0.00000 6.91306 124 5PY 0.00000 -29.50022 0.00000 0.00000 0.00000 125 5PZ 0.00000 0.00000 0.00000 -10.03032 0.00000 126 6D 0 0.00000 0.00000 0.00000 -0.01030 0.00000 127 6D+1 -0.00136 0.00000 0.00000 0.00000 -0.01098 128 6D-1 0.00000 0.00542 0.00000 0.00000 0.00000 129 6D+2 0.00000 0.00000 0.00000 -0.00237 0.00000 130 6D-2 0.00000 0.00000 -0.00730 0.00000 0.00000 131 7D 0 0.00000 0.00000 0.00000 -0.00065 0.00000 132 7D+1 0.00150 0.00000 0.00000 0.00000 -0.01154 133 7D-1 0.00000 0.02177 0.00000 0.00000 0.00000 134 7D+2 0.00000 0.00000 0.00000 -0.01666 0.00000 135 7D-2 0.00000 0.00000 0.00767 0.00000 0.00000 136 6 C 1S 0.00000 -0.00996 0.00000 -0.01060 0.00000 137 2S 0.00000 -0.01616 0.00000 -0.01779 0.00000 138 2PX -0.04085 0.00000 0.03375 0.00000 0.05988 139 2PY 0.00000 0.00342 0.00000 -0.03017 0.00000 140 2PZ 0.00000 -0.00060 0.00000 0.03481 0.00000 141 3S 0.00000 0.04348 0.00000 0.06512 0.00000 142 3PX -0.06473 0.00000 0.03522 0.00000 0.08828 143 3PY 0.00000 0.00738 0.00000 -0.03674 0.00000 144 3PZ 0.00000 0.00065 0.00000 0.04502 0.00000 145 4S 0.00000 -0.02444 0.00000 -0.01765 0.00000 146 4PX -0.15448 0.00000 0.23990 0.00000 0.26879 147 4PY 0.00000 -0.22912 0.00000 -0.59671 0.00000 148 4PZ 0.00000 0.07626 0.00000 0.07425 0.00000 149 5S 0.00000 -38.69308 0.00000 -24.49940 0.00000 150 5PX -1.16814 0.00000 -2.26549 0.00000 -5.40803 151 5PY 0.00000 -13.45711 0.00000 4.51359 0.00000 152 5PZ 0.00000 -15.89105 0.00000 11.81024 0.00000 153 6D 0 0.00000 -0.00304 0.00000 0.00023 0.00000 154 6D+1 0.00013 0.00000 0.00233 0.00000 0.00385 155 6D-1 0.00000 0.00439 0.00000 0.00829 0.00000 156 6D+2 0.00000 -0.00262 0.00000 0.00525 0.00000 157 6D-2 0.00476 0.00000 0.00091 0.00000 -0.00005 158 7D 0 0.00000 -0.03132 0.00000 0.02084 0.00000 159 7D+1 -0.01211 0.00000 0.00580 0.00000 -0.00933 160 7D-1 0.00000 0.02548 0.00000 0.01832 0.00000 161 7D+2 0.00000 -0.00256 0.00000 0.03064 0.00000 162 7D-2 0.01906 0.00000 0.01663 0.00000 0.01711 163 7 H 1S 0.00000 -0.00670 0.00000 -0.04155 0.00000 164 2S 0.00000 -0.03515 0.00000 -0.12559 0.00000 165 3S 0.00000 -0.22742 0.00000 -0.95638 0.00000 166 4PX -0.00920 0.00000 -0.00241 0.00000 0.00144 167 4PY 0.00000 -0.00444 0.00000 0.01164 0.00000 168 4PZ 0.00000 -0.01046 0.00000 -0.00461 0.00000 169 8 Mg 1S 0.00000 0.00000 0.00000 -0.00406 0.00000 170 2S 0.00000 0.00000 0.00000 -0.01125 0.00000 171 3S 0.00000 0.00000 0.00000 0.03208 0.00000 172 4S 0.00000 0.00000 0.00000 0.03783 0.00000 173 5S 0.00000 0.00000 0.00000 -0.26582 0.00000 174 6S 0.00000 0.00000 0.00000 13.02121 0.00000 175 7S 0.00000 0.00000 0.00000 -0.51211 0.00000 176 7PX -0.74499 0.00000 0.00000 0.00000 -0.06003 177 7PY 0.00000 -0.00320 0.00000 0.00000 0.00000 178 7PZ 0.00000 0.00000 0.00000 0.63281 0.00000 179 8PX 0.06889 0.00000 0.00000 0.00000 0.02137 180 8PY 0.00000 0.02837 0.00000 0.00000 0.00000 181 8PZ 0.00000 0.00000 0.00000 -0.01092 0.00000 182 9PX 0.08209 0.00000 0.00000 0.00000 0.02303 183 9PY 0.00000 0.03950 0.00000 0.00000 0.00000 184 9PZ 0.00000 0.00000 0.00000 -0.01702 0.00000 185 10PX 0.01496 0.00000 0.00000 0.00000 0.04191 186 10PY 0.00000 -0.08497 0.00000 0.00000 0.00000 187 10PZ 0.00000 0.00000 0.00000 0.06015 0.00000 188 11PX -1.52337 0.00000 0.00000 0.00000 -0.73884 189 11PY 0.00000 -0.01355 0.00000 0.00000 0.00000 190 11PZ 0.00000 0.00000 0.00000 -0.56584 0.00000 191 12PX 3.22210 0.00000 0.00000 0.00000 -0.39979 192 12PY 0.00000 1.57704 0.00000 0.00000 0.00000 193 12PZ 0.00000 0.00000 0.00000 -0.97127 0.00000 194 13D 0 0.00000 0.00000 0.00000 -0.01543 0.00000 195 13D+1 -0.03312 0.00000 0.00000 0.00000 0.03374 196 13D-1 0.00000 -0.05263 0.00000 0.00000 0.00000 197 13D+2 0.00000 0.00000 0.00000 -0.03142 0.00000 198 13D-2 0.00000 0.00000 -0.05296 0.00000 0.00000 199 14D 0 0.00000 0.00000 0.00000 0.46297 0.00000 200 14D+1 -0.18482 0.00000 0.00000 0.00000 0.70125 201 14D-1 0.00000 -0.52782 0.00000 0.00000 0.00000 202 14D+2 0.00000 0.00000 0.00000 -0.24271 0.00000 203 14D-2 0.00000 0.00000 -0.90779 0.00000 0.00000 204 9 Br 1S 0.00000 0.00000 0.00000 -0.00057 0.00000 205 2S 0.00000 0.00000 0.00000 -0.00184 0.00000 206 3S 0.00000 0.00000 0.00000 0.00504 0.00000 207 4S 0.00000 0.00000 0.00000 0.00603 0.00000 208 5S 0.00000 0.00000 0.00000 -0.01192 0.00000 209 6S 0.00000 0.00000 0.00000 -0.01841 0.00000 210 7S 0.00000 0.00000 0.00000 0.05509 0.00000 211 8S 0.00000 0.00000 0.00000 -0.09105 0.00000 212 9S 0.00000 0.00000 0.00000 -3.81314 0.00000 213 9PX -0.86488 0.00000 0.00000 0.00000 0.04329 214 9PY 0.00000 -0.52414 0.00000 0.00000 0.00000 215 9PZ 0.00000 0.00000 0.00000 1.55289 0.00000 216 10PX 0.00114 0.00000 0.00000 0.00000 -0.00093 217 10PY 0.00000 0.00220 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00000 0.00080 0.00000 219 11PX 0.00938 0.00000 0.00000 0.00000 -0.00769 220 11PY 0.00000 0.01815 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00000 0.00000 0.00665 0.00000 222 12PX -0.02446 0.00000 0.00000 0.00000 0.02015 223 12PY 0.00000 -0.04772 0.00000 0.00000 0.00000 224 12PZ 0.00000 0.00000 0.00000 -0.01765 0.00000 225 13PX -0.01425 0.00000 0.00000 0.00000 0.01058 226 13PY 0.00000 -0.02275 0.00000 0.00000 0.00000 227 13PZ 0.00000 0.00000 0.00000 -0.00642 0.00000 228 14PX 0.03447 0.00000 0.00000 0.00000 -0.02596 229 14PY 0.00000 0.05544 0.00000 0.00000 0.00000 230 14PZ 0.00000 0.00000 0.00000 0.01599 0.00000 231 15PX 0.02919 0.00000 0.00000 0.00000 -0.02797 232 15PY 0.00000 0.08285 0.00000 0.00000 0.00000 233 15PZ 0.00000 0.00000 0.00000 0.03799 0.00000 234 16PX 0.18669 0.00000 0.00000 0.00000 -0.20858 235 16PY 0.00000 0.27806 0.00000 0.00000 0.00000 236 16PZ 0.00000 0.00000 0.00000 0.23282 0.00000 237 17D 0 0.00000 0.00000 0.00000 0.00068 0.00000 238 17D+1 -0.02560 0.00000 0.00000 0.00000 0.02060 239 17D-1 0.00000 -0.03402 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00000 0.01999 0.00000 241 17D-2 0.00000 0.00000 0.03780 0.00000 0.00000 242 18D 0 0.00000 0.00000 0.00000 -0.00003 0.00000 243 18D+1 -0.01145 0.00000 0.00000 0.00000 0.01044 244 18D-1 0.00000 -0.01378 0.00000 0.00000 0.00000 245 18D+2 0.00000 0.00000 0.00000 0.00157 0.00000 246 18D-2 0.00000 0.00000 0.00647 0.00000 0.00000 247 19D 0 0.00000 0.00000 0.00000 -0.00004 0.00000 248 19D+1 0.02693 0.00000 0.00000 0.00000 -0.02414 249 19D-1 0.00000 0.03299 0.00000 0.00000 0.00000 250 19D+2 0.00000 0.00000 0.00000 -0.00723 0.00000 251 19D-2 0.00000 0.00000 -0.02013 0.00000 0.00000 252 20D 0 0.00000 0.00000 0.00000 -0.00719 0.00000 253 20D+1 0.07524 0.00000 0.00000 0.00000 -0.05214 254 20D-1 0.00000 0.11023 0.00000 0.00000 0.00000 255 20D+2 0.00000 0.00000 0.00000 -0.10229 0.00000 256 20D-2 0.00000 0.00000 -0.17419 0.00000 0.00000 257 10 H 1S 0.00000 0.00670 0.00000 -0.04155 0.00000 258 2S 0.00000 0.03515 0.00000 -0.12559 0.00000 259 3S 0.00000 0.22742 0.00000 -0.95638 0.00000 260 4PX -0.00920 0.00000 0.00241 0.00000 0.00144 261 4PY 0.00000 -0.00444 0.00000 -0.01164 0.00000 262 4PZ 0.00000 0.01046 0.00000 -0.00461 0.00000 263 11 H 1S 0.00000 0.01533 0.00000 -0.02049 0.00000 264 2S 0.00000 0.05373 0.00000 -0.02950 0.00000 265 3S 0.00000 -0.34669 0.00000 -0.53142 0.00000 266 4PX 0.00954 0.00000 -0.00199 0.00000 -0.00930 267 4PY 0.00000 0.00244 0.00000 0.00648 0.00000 268 4PZ 0.00000 -0.00129 0.00000 0.00973 0.00000 269 12 H 1S 0.00000 0.00000 0.00000 -0.00947 0.00000 270 2S 0.00000 0.00000 0.00000 -0.01518 0.00000 271 3S 0.00000 0.00000 0.00000 -0.82543 0.00000 272 4PX -0.00510 0.00000 0.00000 0.00000 0.00493 273 4PY 0.00000 -0.01500 0.00000 0.00000 0.00000 274 4PZ 0.00000 0.00000 0.00000 -0.00188 0.00000 275 13 H 1S 0.00000 -0.01533 0.00000 -0.02049 0.00000 276 2S 0.00000 -0.05373 0.00000 -0.02950 0.00000 277 3S 0.00000 0.34669 0.00000 -0.53142 0.00000 278 4PX 0.00954 0.00000 0.00199 0.00000 -0.00930 279 4PY 0.00000 0.00244 0.00000 -0.00648 0.00000 280 4PZ 0.00000 0.00129 0.00000 0.00973 0.00000 81 82 83 84 85 (A1)--V (B2)--V (A1)--V (A1)--V (B2)--V Eigenvalues -- 0.19193 0.19974 0.20117 0.20652 0.21256 1 1 C 1S 0.01097 0.01749 0.00676 -0.02195 -0.01999 2 2S 0.01708 0.02718 0.01122 -0.03572 -0.03239 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY 0.01293 0.05713 0.03117 -0.02670 -0.07035 5 2PZ 0.04348 0.01916 -0.00728 -0.02270 -0.00857 6 3S -0.03672 -0.02988 -0.04626 0.08633 0.09839 7 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 3PY 0.02989 0.07762 0.03777 -0.01924 -0.04413 9 3PZ 0.04115 0.02534 -0.01740 -0.03911 0.01884 10 4S -0.45876 -1.03073 0.13627 0.53089 0.84792 11 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 12 4PY 0.19872 0.34493 0.41452 -0.56988 -0.83642 13 4PZ 0.19612 0.26530 0.15156 -0.43825 -0.13682 14 5S -16.68120 55.81613 46.00827 -31.54054 41.37960 15 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 5PY -7.29245 8.15381 9.67746 -14.36159 -5.61258 17 5PZ 5.88189 2.33776 1.37671 7.08204 14.48733 18 6D 0 -0.00735 -0.00121 -0.00292 0.00331 -0.00269 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 0.00599 0.00811 0.00210 0.00432 -0.00441 21 6D+2 -0.00330 0.00259 -0.00135 0.00172 0.00350 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 7D 0 -0.04744 0.01991 0.02570 0.02760 0.00506 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 0.03987 0.00860 0.03056 -0.03672 -0.08026 26 7D+2 -0.03432 0.03625 0.00998 0.00790 0.06263 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 C 1S 0.01497 0.00000 0.02000 0.02095 0.00000 29 2S 0.02244 0.00000 0.03111 0.03474 0.00000 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY 0.00000 0.03322 0.00000 0.00000 0.01736 32 2PZ 0.06182 0.00000 0.06356 0.00018 0.00000 33 3S -0.00796 0.00000 -0.05422 -0.08242 0.00000 34 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 35 3PY 0.00000 0.01339 0.00000 0.00000 0.02266 36 3PZ 0.09580 0.00000 0.04700 -0.00265 0.00000 37 4S -1.09706 0.00000 -1.25907 -0.42528 0.00000 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY 0.00000 0.04479 0.00000 0.00000 0.03852 40 4PZ 0.20986 0.00000 0.37239 0.44668 0.00000 41 5S 47.96492 0.00000 -50.07725 84.24564 0.00000 42 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 5PY 0.00000 13.05058 0.00000 0.00000 -5.67345 44 5PZ 6.77618 0.00000 -6.07447 12.30836 0.00000 45 6D 0 0.00936 0.00000 0.00490 -0.00559 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 -0.00255 0.00000 0.00000 0.00385 48 6D+2 0.01205 0.00000 -0.00154 -0.00465 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 -0.03297 0.00000 0.03611 0.01370 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00000 -0.01814 0.00000 0.00000 -0.01498 53 7D+2 0.01219 0.00000 -0.00275 0.03780 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.01097 -0.01749 0.00676 -0.02195 0.01999 56 2S 0.01708 -0.02718 0.01122 -0.03572 0.03239 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY -0.01293 0.05713 -0.03117 0.02670 -0.07035 59 2PZ 0.04348 -0.01916 -0.00728 -0.02270 0.00857 60 3S -0.03672 0.02988 -0.04626 0.08633 -0.09839 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY -0.02989 0.07762 -0.03777 0.01924 -0.04413 63 3PZ 0.04115 -0.02534 -0.01740 -0.03911 -0.01884 64 4S -0.45876 1.03073 0.13627 0.53089 -0.84792 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY -0.19872 0.34493 -0.41452 0.56988 -0.83642 67 4PZ 0.19612 -0.26530 0.15156 -0.43825 0.13682 68 5S -16.68120 -55.81613 46.00827 -31.54054 -41.37960 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY 7.29245 8.15381 -9.67746 14.36159 -5.61258 71 5PZ 5.88189 -2.33776 1.37671 7.08204 -14.48733 72 6D 0 -0.00735 0.00121 -0.00292 0.00331 0.00269 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 -0.00599 0.00811 -0.00210 -0.00432 -0.00441 75 6D+2 -0.00330 -0.00259 -0.00135 0.00172 -0.00350 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 -0.04744 -0.01991 0.02570 0.02760 -0.00506 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 -0.03987 0.00860 -0.03056 0.03672 -0.08026 80 7D+2 -0.03432 -0.03625 0.00998 0.00790 -0.06263 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S 0.00365 0.00577 -0.01903 -0.00158 -0.00718 83 2S 0.00546 0.00954 -0.03109 -0.00173 -0.01332 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY 0.00058 0.04214 0.04835 -0.01345 -0.03168 86 2PZ 0.02061 0.00897 0.04066 -0.00103 -0.02233 87 3S -0.00209 -0.01267 0.08764 -0.03674 0.08707 88 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 3PY 0.00749 0.03745 0.03076 -0.02920 -0.05669 90 3PZ 0.01851 0.01552 0.06343 0.02806 -0.04542 91 4S -0.28640 0.09873 0.18198 1.01215 -0.74644 92 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 4PY 0.25001 0.14464 0.84298 -0.72091 0.35788 94 4PZ 0.06440 0.02663 0.43378 -0.16631 -0.42374 95 5S -1.81458 25.83724 -61.75281 -8.28886 -13.10047 96 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PY -3.84681 -1.90941 14.52444 -4.28231 12.45578 98 5PZ 3.28835 -10.68298 5.76392 6.50155 -29.63380 99 6D 0 0.00217 0.00306 -0.00008 0.00387 -0.00641 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 0.00391 -0.00895 0.00392 0.00152 0.00857 102 6D+2 -0.00488 0.00110 0.00916 0.00314 0.00101 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 0.05154 0.00900 -0.00061 -0.02008 0.01419 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 -0.02143 -0.04129 -0.00752 0.06417 -0.03103 107 7D+2 0.02069 0.02363 0.03850 -0.04429 0.06400 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 5 C 1S -0.00741 0.00000 0.02663 0.02438 0.00000 110 2S -0.01323 0.00000 0.04404 0.03893 0.00000 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY 0.00000 0.03057 0.00000 0.00000 -0.05091 113 2PZ 0.03000 0.00000 0.03303 -0.03425 0.00000 114 3S 0.05963 0.00000 -0.12936 -0.06022 0.00000 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY 0.00000 0.05413 0.00000 0.00000 -0.05099 117 3PZ 0.07001 0.00000 0.03122 -0.07038 0.00000 118 4S 0.08212 0.00000 0.04410 -1.58560 0.00000 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY 0.00000 -0.06668 0.00000 0.00000 0.41211 121 4PZ -0.65848 0.00000 -0.13459 1.01424 0.00000 122 5S -21.83781 0.00000 88.25678 0.94157 0.00000 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 5PY 0.00000 3.32876 0.00000 0.00000 42.76226 125 5PZ -2.44528 0.00000 -20.47335 -2.42735 0.00000 126 6D 0 -0.00043 0.00000 -0.01141 0.00067 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00728 0.00000 0.00000 -0.00590 129 6D+2 -0.00331 0.00000 0.00116 -0.00018 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.02797 0.00000 0.03316 -0.06138 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.00000 0.04146 0.00000 0.00000 -0.07931 134 7D+2 -0.00003 0.00000 0.01578 0.01391 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S 0.00365 -0.00577 -0.01903 -0.00158 0.00718 137 2S 0.00546 -0.00954 -0.03109 -0.00173 0.01332 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY -0.00058 0.04214 -0.04835 0.01345 -0.03168 140 2PZ 0.02061 -0.00897 0.04066 -0.00103 0.02233 141 3S -0.00209 0.01267 0.08764 -0.03674 -0.08707 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY -0.00749 0.03745 -0.03076 0.02920 -0.05669 144 3PZ 0.01851 -0.01552 0.06343 0.02806 0.04542 145 4S -0.28640 -0.09873 0.18198 1.01215 0.74644 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY -0.25001 0.14464 -0.84298 0.72091 0.35788 148 4PZ 0.06440 -0.02663 0.43378 -0.16631 0.42374 149 5S -1.81458 -25.83724 -61.75281 -8.28886 13.10047 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY 3.84681 -1.90941 -14.52444 4.28231 12.45578 152 5PZ 3.28835 10.68298 5.76392 6.50155 29.63380 153 6D 0 0.00217 -0.00306 -0.00008 0.00387 0.00641 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 -0.00391 -0.00895 -0.00392 -0.00152 0.00857 156 6D+2 -0.00488 -0.00110 0.00916 0.00314 -0.00101 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.05154 -0.00900 -0.00061 -0.02008 -0.01419 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 0.02143 -0.04129 0.00752 -0.06417 -0.03103 161 7D+2 0.02069 -0.02363 0.03850 -0.04429 -0.06400 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S 0.02505 0.03646 -0.02487 0.00010 -0.00545 164 2S 0.00749 -0.02450 -0.11321 -0.03063 -0.12907 165 3S 0.54229 1.03905 -1.65292 0.64064 0.34779 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00435 -0.01081 0.01447 -0.00556 -0.01300 168 4PZ -0.00182 0.00991 -0.00310 0.01585 0.00849 169 8 Mg 1S -0.00728 0.00000 0.00249 -0.00223 0.00000 170 2S -0.01992 0.00000 0.00680 -0.00575 0.00000 171 3S 0.05411 0.00000 -0.01834 0.01220 0.00000 172 4S 0.08058 0.00000 -0.02883 0.04112 0.00000 173 5S -1.15836 0.00000 0.66711 0.28430 0.00000 174 6S 14.56825 0.00000 -0.88536 -8.30834 0.00000 175 7S 0.03941 0.00000 0.02199 0.02139 0.00000 176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PY 0.00000 -0.44638 0.00000 0.00000 0.39055 178 7PZ -0.17973 0.00000 -0.28611 -0.20614 0.00000 179 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY 0.00000 0.00897 0.00000 0.00000 0.01116 181 8PZ 0.00986 0.00000 -0.01558 0.02455 0.00000 182 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 9PY 0.00000 0.00968 0.00000 0.00000 0.00748 184 9PZ 0.01158 0.00000 -0.01990 0.03471 0.00000 185 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 186 10PY 0.00000 0.01859 0.00000 0.00000 0.09733 187 10PZ 0.00572 0.00000 -0.00280 -0.03104 0.00000 188 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 11PY 0.00000 -0.35330 0.00000 0.00000 -1.18721 190 11PZ -0.89553 0.00000 0.57065 0.10140 0.00000 191 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 192 12PY 0.00000 2.04555 0.00000 0.00000 -1.17947 193 12PZ -1.10915 0.00000 7.30173 1.48871 0.00000 194 13D 0 0.01008 0.00000 -0.00164 -0.01864 0.00000 195 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 196 13D-1 0.00000 -0.03315 0.00000 0.00000 0.01932 197 13D+2 -0.00379 0.00000 0.01860 0.00207 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 1.15847 0.00000 -0.60037 -1.23622 0.00000 200 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 201 14D-1 0.00000 -0.41359 0.00000 0.00000 0.49491 202 14D+2 0.06567 0.00000 0.10092 0.10947 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S -0.00055 0.00000 0.00077 -0.00141 0.00000 205 2S -0.00182 0.00000 0.00252 -0.00451 0.00000 206 3S 0.00537 0.00000 -0.00704 0.01172 0.00000 207 4S 0.00402 0.00000 -0.00760 0.01776 0.00000 208 5S -0.00528 0.00000 0.01410 -0.03930 0.00000 209 6S -0.03119 0.00000 0.02963 -0.02446 0.00000 210 7S 0.13369 0.00000 -0.09572 -0.01595 0.00000 211 8S -0.56635 0.00000 0.18614 0.87330 0.00000 212 9S -4.48148 0.00000 -5.21923 2.43349 0.00000 213 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 214 9PY 0.00000 -0.32527 0.00000 0.00000 0.04200 215 9PZ 2.31364 0.00000 1.42891 -0.92197 0.00000 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00005 0.00000 0.00000 -0.00003 218 10PZ -0.00045 0.00000 0.00070 -0.00178 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00032 0.00000 0.00000 -0.00021 221 11PZ -0.00367 0.00000 0.00573 -0.01467 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 -0.00042 0.00000 0.00000 0.00030 224 12PZ 0.00946 0.00000 -0.01455 0.03876 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 -0.00567 0.00000 0.00000 0.00330 227 13PZ 0.00687 0.00000 -0.01358 0.01664 0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 0.01336 0.00000 0.00000 -0.00785 230 14PZ -0.01602 0.00000 0.03219 -0.04122 0.00000 231 15PX 0.00000 0.00000 0.00000 0.00000 0.00000 232 15PY 0.00000 -0.02722 0.00000 0.00000 0.01582 233 15PZ -0.01406 0.00000 -0.00278 -0.06493 0.00000 234 16PX 0.00000 0.00000 0.00000 0.00000 0.00000 235 16PY 0.00000 0.14604 0.00000 0.00000 -0.10320 236 16PZ 0.40036 0.00000 0.02218 -0.84509 0.00000 237 17D 0 0.01100 0.00000 -0.00875 0.02114 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 -0.01952 0.00000 0.00000 0.00457 240 17D+2 -0.00359 0.00000 0.00098 -0.00283 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00244 0.00000 -0.00272 0.01196 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 -0.00928 0.00000 0.00000 0.00403 245 18D+2 -0.00022 0.00000 -0.00099 -0.00064 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 -0.00667 0.00000 0.00695 -0.02787 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00000 0.02187 0.00000 0.00000 -0.00865 250 19D+2 0.00121 0.00000 0.00162 0.00184 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 -0.06112 0.00000 0.03728 -0.02294 0.00000 253 20D+1 0.00000 0.00000 0.00000 0.00000 0.00000 254 20D-1 0.00000 0.05520 0.00000 0.00000 -0.00220 255 20D+2 0.01864 0.00000 -0.01037 0.01249 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.02505 -0.03646 -0.02487 0.00010 0.00545 258 2S 0.00749 0.02450 -0.11321 -0.03063 0.12907 259 3S 0.54229 -1.03905 -1.65292 0.64064 -0.34779 260 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 261 4PY -0.00435 -0.01081 -0.01447 0.00556 -0.01300 262 4PZ -0.00182 -0.00991 -0.00310 0.01585 -0.00849 263 11 H 1S 0.03338 -0.01685 0.01802 -0.00036 0.05038 264 2S 0.00752 -0.16768 0.05038 -0.09206 -0.01263 265 3S 1.12718 -0.47318 0.62770 -0.72793 2.74847 266 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 267 4PY 0.01305 0.00114 0.00380 -0.00878 0.02690 268 4PZ -0.00089 0.00624 -0.00816 0.00167 -0.01670 269 12 H 1S 0.02973 0.00000 0.03857 -0.01400 0.00000 270 2S 0.15424 0.00000 -0.02244 0.15277 0.00000 271 3S 0.45965 0.00000 2.24139 -0.43983 0.00000 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 0.00109 0.00000 0.00000 0.00018 274 4PZ -0.00103 0.00000 -0.01910 -0.00060 0.00000 275 13 H 1S 0.03338 0.01685 0.01802 -0.00036 -0.05038 276 2S 0.00752 0.16768 0.05038 -0.09206 0.01263 277 3S 1.12718 0.47318 0.62770 -0.72793 -2.74847 278 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 4PY -0.01305 0.00114 -0.00380 0.00878 0.02690 280 4PZ -0.00089 -0.00624 -0.00816 0.00167 0.01670 86 87 88 89 90 (A1)--V (A1)--V (B2)--V (B1)--V (A1)--V Eigenvalues -- 0.22151 0.22867 0.23443 0.23463 0.24696 1 1 C 1S -0.00623 -0.02452 -0.00660 0.00000 0.00348 2 2S -0.01012 -0.04109 -0.00971 0.00000 0.00538 3 2PX 0.00000 0.00000 0.00000 -0.03312 0.00000 4 2PY -0.00835 -0.01473 -0.03072 0.00000 -0.01119 5 2PZ -0.00095 -0.03461 -0.04178 0.00000 -0.02478 6 3S 0.01195 0.14734 0.00473 0.00000 -0.00437 7 3PX 0.00000 0.00000 0.00000 -0.02712 0.00000 8 3PY -0.00796 0.01214 -0.04082 0.00000 -0.02185 9 3PZ -0.00451 -0.04857 -0.04279 0.00000 -0.02095 10 4S 0.71200 -0.28203 0.39260 0.00000 -0.66733 11 4PX 0.00000 0.00000 0.00000 -0.32744 0.00000 12 4PY -0.02419 -0.93384 -0.39687 0.00000 -0.49835 13 4PZ 0.18699 -0.76570 -0.01935 0.00000 -0.23241 14 5S -35.30210 -76.99638 17.55811 0.00000 -36.91886 15 5PX 0.00000 0.00000 0.00000 2.55204 0.00000 16 5PY -1.24287 -7.52908 23.95369 0.00000 0.92916 17 5PZ -7.94849 -15.27024 -46.50110 0.00000 -11.47237 18 6D 0 0.00288 -0.00568 0.00184 0.00000 -0.00049 19 6D+1 0.00000 0.00000 0.00000 0.00430 0.00000 20 6D-1 -0.00310 0.00281 0.00192 0.00000 0.00132 21 6D+2 0.00094 0.00177 -0.00080 0.00000 -0.00156 22 6D-2 0.00000 0.00000 0.00000 0.00168 0.00000 23 7D 0 0.03186 0.03622 0.02880 0.00000 0.00649 24 7D+1 0.00000 0.00000 0.00000 -0.02585 0.00000 25 7D-1 -0.01209 -0.09626 0.02902 0.00000 0.02822 26 7D+2 -0.00809 0.06554 0.01998 0.00000 0.01773 27 7D-2 0.00000 0.00000 0.00000 -0.03341 0.00000 28 2 C 1S 0.00408 0.03652 0.00000 0.00000 0.00293 29 2S 0.00612 0.06037 0.00000 0.00000 0.00519 30 2PX 0.00000 0.00000 0.00000 0.04659 0.00000 31 2PY 0.00000 0.00000 0.01616 0.00000 0.00000 32 2PZ 0.01165 0.07842 0.00000 0.00000 -0.01281 33 3S 0.00494 -0.19504 0.00000 0.00000 -0.03378 34 3PX 0.00000 0.00000 0.00000 0.07537 0.00000 35 3PY 0.00000 0.00000 0.01924 0.00000 0.00000 36 3PZ 0.01468 0.03734 0.00000 0.00000 0.00306 37 4S -0.45638 -0.43418 0.00000 0.00000 0.85685 38 4PX 0.00000 0.00000 0.00000 0.27643 0.00000 39 4PY 0.00000 0.00000 -0.32254 0.00000 0.00000 40 4PZ -0.05925 1.70158 0.00000 0.00000 0.36710 41 5S 19.81722 40.68978 0.00000 0.00000 3.00399 42 5PX 0.00000 0.00000 0.00000 -2.26666 0.00000 43 5PY 0.00000 0.00000 58.71221 0.00000 0.00000 44 5PZ 6.45010 13.10793 0.00000 0.00000 4.28799 45 6D 0 -0.00610 -0.00356 0.00000 0.00000 0.00005 46 6D+1 0.00000 0.00000 0.00000 -0.00442 0.00000 47 6D-1 0.00000 0.00000 0.00175 0.00000 0.00000 48 6D+2 -0.00072 -0.00652 0.00000 0.00000 -0.00089 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 -0.01093 0.16465 0.00000 0.00000 -0.01627 51 7D+1 0.00000 0.00000 0.00000 -0.02085 0.00000 52 7D-1 0.00000 0.00000 -0.04688 0.00000 0.00000 53 7D+2 0.01918 0.03278 0.00000 0.00000 -0.01762 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S -0.00623 -0.02452 0.00660 0.00000 0.00348 56 2S -0.01012 -0.04109 0.00971 0.00000 0.00538 57 2PX 0.00000 0.00000 0.00000 -0.03312 0.00000 58 2PY 0.00835 0.01473 -0.03072 0.00000 0.01119 59 2PZ -0.00095 -0.03461 0.04178 0.00000 -0.02478 60 3S 0.01195 0.14734 -0.00473 0.00000 -0.00437 61 3PX 0.00000 0.00000 0.00000 -0.02712 0.00000 62 3PY 0.00796 -0.01214 -0.04082 0.00000 0.02185 63 3PZ -0.00451 -0.04857 0.04279 0.00000 -0.02095 64 4S 0.71200 -0.28203 -0.39260 0.00000 -0.66733 65 4PX 0.00000 0.00000 0.00000 -0.32744 0.00000 66 4PY 0.02419 0.93384 -0.39687 0.00000 0.49835 67 4PZ 0.18699 -0.76570 0.01935 0.00000 -0.23241 68 5S -35.30210 -76.99638 -17.55811 0.00000 -36.91886 69 5PX 0.00000 0.00000 0.00000 2.55204 0.00000 70 5PY 1.24287 7.52908 23.95369 0.00000 -0.92916 71 5PZ -7.94849 -15.27024 46.50110 0.00000 -11.47237 72 6D 0 0.00288 -0.00568 -0.00184 0.00000 -0.00049 73 6D+1 0.00000 0.00000 0.00000 0.00430 0.00000 74 6D-1 0.00310 -0.00281 0.00192 0.00000 -0.00132 75 6D+2 0.00094 0.00177 0.00080 0.00000 -0.00156 76 6D-2 0.00000 0.00000 0.00000 -0.00168 0.00000 77 7D 0 0.03186 0.03622 -0.02880 0.00000 0.00649 78 7D+1 0.00000 0.00000 0.00000 -0.02585 0.00000 79 7D-1 0.01209 0.09626 0.02902 0.00000 -0.02822 80 7D+2 -0.00809 0.06554 -0.01998 0.00000 0.01773 81 7D-2 0.00000 0.00000 0.00000 0.03341 0.00000 82 4 C 1S -0.01192 0.00834 0.01269 0.00000 0.02198 83 2S -0.01911 0.01477 0.02083 0.00000 0.03513 84 2PX 0.00000 0.00000 0.00000 0.07745 0.00000 85 2PY 0.01393 -0.01112 0.00789 0.00000 0.00491 86 2PZ 0.00703 0.02877 -0.01177 0.00000 -0.04224 87 3S 0.04223 -0.06468 -0.07084 0.00000 -0.07363 88 3PX 0.00000 0.00000 0.00000 0.09385 0.00000 89 3PY 0.02620 -0.03234 0.02704 0.00000 0.00523 90 3PZ 0.01997 0.02808 -0.02325 0.00000 -0.03368 91 4S 0.35458 0.62174 -0.01003 0.00000 -0.71668 92 4PX 0.00000 0.00000 0.00000 0.58766 0.00000 93 4PY 0.07307 -0.50711 -0.16567 0.00000 -0.24143 94 4PZ 0.33314 -0.17624 -0.00453 0.00000 -0.55989 95 5S -7.52638 105.43312 -31.38968 0.00000 6.50881 96 5PX 0.00000 0.00000 0.00000 -2.28016 0.00000 97 5PY 8.68856 -13.14930 -17.77519 0.00000 7.33735 98 5PZ -11.92972 -15.03328 30.55354 0.00000 -13.55292 99 6D 0 0.00485 0.00030 0.00437 0.00000 -0.00876 100 6D+1 0.00000 0.00000 0.00000 -0.00011 0.00000 101 6D-1 -0.00527 -0.00311 0.00050 0.00000 0.00208 102 6D+2 -0.00414 0.00110 0.00031 0.00000 -0.00262 103 6D-2 0.00000 0.00000 0.00000 0.00982 0.00000 104 7D 0 -0.02993 0.02180 0.02649 0.00000 -0.02515 105 7D+1 0.00000 0.00000 0.00000 0.01526 0.00000 106 7D-1 0.02150 0.01405 -0.01175 0.00000 -0.00236 107 7D+2 -0.01952 0.01939 -0.03151 0.00000 -0.00407 108 7D-2 0.00000 0.00000 0.00000 0.02867 0.00000 109 5 C 1S -0.01555 -0.01079 0.00000 0.00000 -0.00908 110 2S -0.02509 -0.01830 0.00000 0.00000 -0.01689 111 2PX 0.00000 0.00000 0.00000 -0.10943 0.00000 112 2PY 0.00000 0.00000 0.02011 0.00000 0.00000 113 2PZ 0.01776 0.00924 0.00000 0.00000 -0.00119 114 3S 0.06286 0.07788 0.00000 0.00000 0.08692 115 3PX 0.00000 0.00000 0.00000 -0.13196 0.00000 116 3PY 0.00000 0.00000 0.02181 0.00000 0.00000 117 3PZ 0.02599 0.03891 0.00000 0.00000 -0.02739 118 4S 0.66421 -0.56658 0.00000 0.00000 -0.49734 119 4PX 0.00000 0.00000 0.00000 -0.79048 0.00000 120 4PY 0.00000 0.00000 -0.20787 0.00000 0.00000 121 4PZ 0.20099 0.10893 0.00000 0.00000 0.27419 122 5S 35.52752 -91.40619 0.00000 0.00000 53.35561 123 5PX 0.00000 0.00000 0.00000 0.58228 0.00000 124 5PY 0.00000 0.00000 -28.60097 0.00000 0.00000 125 5PZ -18.26829 27.82666 0.00000 0.00000 -12.59550 126 6D 0 0.00050 -0.00320 0.00000 0.00000 0.00370 127 6D+1 0.00000 0.00000 0.00000 0.00730 0.00000 128 6D-1 0.00000 0.00000 0.00946 0.00000 0.00000 129 6D+2 -0.00986 -0.00395 0.00000 0.00000 0.01519 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 -0.02052 -0.00540 0.00000 0.00000 0.00581 132 7D+1 0.00000 0.00000 0.00000 0.03244 0.00000 133 7D-1 0.00000 0.00000 0.04934 0.00000 0.00000 134 7D+2 0.00022 -0.01389 0.00000 0.00000 0.02879 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S -0.01192 0.00834 -0.01269 0.00000 0.02198 137 2S -0.01911 0.01477 -0.02083 0.00000 0.03513 138 2PX 0.00000 0.00000 0.00000 0.07745 0.00000 139 2PY -0.01393 0.01112 0.00789 0.00000 -0.00491 140 2PZ 0.00703 0.02877 0.01177 0.00000 -0.04224 141 3S 0.04223 -0.06468 0.07084 0.00000 -0.07363 142 3PX 0.00000 0.00000 0.00000 0.09385 0.00000 143 3PY -0.02620 0.03234 0.02704 0.00000 -0.00523 144 3PZ 0.01997 0.02808 0.02325 0.00000 -0.03368 145 4S 0.35458 0.62174 0.01003 0.00000 -0.71668 146 4PX 0.00000 0.00000 0.00000 0.58766 0.00000 147 4PY -0.07307 0.50711 -0.16567 0.00000 0.24143 148 4PZ 0.33314 -0.17624 0.00453 0.00000 -0.55989 149 5S -7.52638 105.43312 31.38968 0.00000 6.50881 150 5PX 0.00000 0.00000 0.00000 -2.28016 0.00000 151 5PY -8.68856 13.14930 -17.77519 0.00000 -7.33735 152 5PZ -11.92972 -15.03328 -30.55354 0.00000 -13.55292 153 6D 0 0.00485 0.00030 -0.00437 0.00000 -0.00876 154 6D+1 0.00000 0.00000 0.00000 -0.00011 0.00000 155 6D-1 0.00527 0.00311 0.00050 0.00000 -0.00208 156 6D+2 -0.00414 0.00110 -0.00031 0.00000 -0.00262 157 6D-2 0.00000 0.00000 0.00000 -0.00982 0.00000 158 7D 0 -0.02993 0.02180 -0.02649 0.00000 -0.02515 159 7D+1 0.00000 0.00000 0.00000 0.01526 0.00000 160 7D-1 -0.02150 -0.01405 -0.01175 0.00000 0.00236 161 7D+2 -0.01952 0.01939 0.03151 0.00000 -0.00407 162 7D-2 0.00000 0.00000 0.00000 -0.02867 0.00000 163 7 H 1S -0.00014 -0.01728 -0.00344 0.00000 0.03660 164 2S -0.10183 0.13671 0.09656 0.00000 0.10284 165 3S 0.37594 -0.84323 -1.10040 0.00000 1.55203 166 4PX 0.00000 0.00000 0.00000 0.01269 0.00000 167 4PY -0.00584 0.00165 0.00396 0.00000 -0.00828 168 4PZ -0.00226 -0.00677 -0.00306 0.00000 -0.00474 169 8 Mg 1S 0.00613 -0.00064 0.00000 0.00000 -0.00212 170 2S 0.01627 -0.00178 0.00000 0.00000 -0.00538 171 3S -0.03908 0.00519 0.00000 0.00000 0.01014 172 4S -0.09319 0.00590 0.00000 0.00000 0.04594 173 5S 1.00495 -0.73786 0.00000 0.00000 -0.89868 174 6S 9.11584 0.50581 0.00000 0.00000 13.76909 175 7S -1.88901 0.30232 0.00000 0.00000 1.12459 176 7PX 0.00000 0.00000 0.00000 0.16195 0.00000 177 7PY 0.00000 0.00000 0.12247 0.00000 0.00000 178 7PZ 1.55957 0.23868 0.00000 0.00000 -0.40389 179 8PX 0.00000 0.00000 0.00000 -0.01683 0.00000 180 8PY 0.00000 0.00000 0.00485 0.00000 0.00000 181 8PZ -0.03392 -0.01237 0.00000 0.00000 0.01270 182 9PX 0.00000 0.00000 0.00000 -0.02042 0.00000 183 9PY 0.00000 0.00000 0.00518 0.00000 0.00000 184 9PZ -0.04692 -0.01877 0.00000 0.00000 0.01274 185 10PX 0.00000 0.00000 0.00000 -0.00493 0.00000 186 10PY 0.00000 0.00000 0.00172 0.00000 0.00000 187 10PZ 0.09010 0.05276 0.00000 0.00000 0.04481 188 11PX 0.00000 0.00000 0.00000 0.35371 0.00000 189 11PY 0.00000 0.00000 0.01798 0.00000 0.00000 190 11PZ 0.04168 -0.14010 0.00000 0.00000 -0.49411 191 12PX 0.00000 0.00000 0.00000 0.78293 0.00000 192 12PY 0.00000 0.00000 2.38933 0.00000 0.00000 193 12PZ -24.31015 3.61994 0.00000 0.00000 7.11327 194 13D 0 0.02563 -0.00545 0.00000 0.00000 -0.02684 195 13D+1 0.00000 0.00000 0.00000 -0.06158 0.00000 196 13D-1 0.00000 0.00000 -0.07965 0.00000 0.00000 197 13D+2 -0.02990 -0.00913 0.00000 0.00000 -0.01198 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.06250 0.76822 0.00000 0.00000 -0.02406 200 14D+1 0.00000 0.00000 0.00000 -1.28887 0.00000 201 14D-1 0.00000 0.00000 -0.87412 0.00000 0.00000 202 14D+2 -0.73341 0.00759 0.00000 0.00000 -0.57218 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00159 0.00061 0.00000 0.00000 0.00028 205 2S 0.00515 0.00194 0.00000 0.00000 0.00092 206 3S -0.01390 -0.00505 0.00000 0.00000 -0.00272 207 4S -0.01778 -0.00761 0.00000 0.00000 -0.00212 208 5S 0.03645 0.01683 0.00000 0.00000 0.00298 209 6S 0.04526 0.01067 0.00000 0.00000 0.01515 210 7S -0.10222 0.01153 0.00000 0.00000 -0.05244 211 8S -0.20585 -0.45992 0.00000 0.00000 0.04824 212 9S 19.39997 -4.86403 0.00000 0.00000 -11.03591 213 9PX 0.00000 0.00000 0.00000 -0.41903 0.00000 214 9PY 0.00000 0.00000 -0.90799 0.00000 0.00000 215 9PZ -6.34264 1.42279 0.00000 0.00000 3.92453 216 10PX 0.00000 0.00000 0.00000 0.00200 0.00000 217 10PY 0.00000 0.00000 0.00169 0.00000 0.00000 218 10PZ 0.00109 0.00132 0.00000 0.00000 0.00143 219 11PX 0.00000 0.00000 0.00000 0.01636 0.00000 220 11PY 0.00000 0.00000 0.01384 0.00000 0.00000 221 11PZ 0.00897 0.01095 0.00000 0.00000 0.01180 222 12PX 0.00000 0.00000 0.00000 -0.04258 0.00000 223 12PY 0.00000 0.00000 -0.03611 0.00000 0.00000 224 12PZ -0.02356 -0.02927 0.00000 0.00000 -0.03154 225 13PX 0.00000 0.00000 0.00000 -0.02749 0.00000 226 13PY 0.00000 0.00000 -0.02202 0.00000 0.00000 227 13PZ -0.01192 -0.00874 0.00000 0.00000 -0.00990 228 14PX 0.00000 0.00000 0.00000 0.06697 0.00000 229 14PY 0.00000 0.00000 0.05388 0.00000 0.00000 230 14PZ 0.02928 0.02219 0.00000 0.00000 0.02484 231 15PX 0.00000 0.00000 0.00000 0.04063 0.00000 232 15PY 0.00000 0.00000 0.04033 0.00000 0.00000 233 15PZ 0.03326 0.07174 0.00000 0.00000 0.08508 234 16PX 0.00000 0.00000 0.00000 0.51116 0.00000 235 16PY 0.00000 0.00000 0.38036 0.00000 0.00000 236 16PZ 0.13090 0.48620 0.00000 0.00000 0.15009 237 17D 0 -0.03436 -0.00245 0.00000 0.00000 0.02470 238 17D+1 0.00000 0.00000 0.00000 -0.05826 0.00000 239 17D-1 0.00000 0.00000 -0.03945 0.00000 0.00000 240 17D+2 0.03050 -0.00621 0.00000 0.00000 0.02811 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 -0.01320 -0.00354 0.00000 0.00000 0.00776 243 18D+1 0.00000 0.00000 0.00000 -0.02427 0.00000 244 18D-1 0.00000 0.00000 -0.01735 0.00000 0.00000 245 18D+2 0.00524 -0.00010 0.00000 0.00000 0.00403 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.03298 0.00760 0.00000 0.00000 -0.02059 248 19D+1 0.00000 0.00000 0.00000 0.05952 0.00000 249 19D-1 0.00000 0.00000 0.04202 0.00000 0.00000 250 19D+2 -0.01687 0.00165 0.00000 0.00000 -0.01434 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.12080 -0.02537 0.00000 0.00000 -0.10451 253 20D+1 0.00000 0.00000 0.00000 0.18992 0.00000 254 20D-1 0.00000 0.00000 0.12540 0.00000 0.00000 255 20D+2 -0.14615 0.03485 0.00000 0.00000 -0.14153 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S -0.00014 -0.01728 0.00344 0.00000 0.03660 258 2S -0.10183 0.13671 -0.09656 0.00000 0.10284 259 3S 0.37594 -0.84323 1.10040 0.00000 1.55203 260 4PX 0.00000 0.00000 0.00000 0.01269 0.00000 261 4PY 0.00584 -0.00165 0.00396 0.00000 0.00828 262 4PZ -0.00226 -0.00677 0.00306 0.00000 -0.00474 263 11 H 1S -0.01156 -0.02555 -0.00597 0.00000 0.01095 264 2S -0.08210 -0.08191 -0.02598 0.00000 -0.08649 265 3S 0.10455 -1.55309 0.82536 0.00000 0.32057 266 4PX 0.00000 0.00000 0.00000 -0.00143 0.00000 267 4PY -0.00082 -0.02278 0.00925 0.00000 -0.00037 268 4PZ -0.00428 0.01356 0.00553 0.00000 -0.00013 269 12 H 1S -0.02693 0.03148 0.00000 0.00000 0.00033 270 2S -0.03305 0.03373 0.00000 0.00000 0.04511 271 3S -0.39345 3.04823 0.00000 0.00000 0.10824 272 4PX 0.00000 0.00000 0.00000 0.00836 0.00000 273 4PY 0.00000 0.00000 0.00935 0.00000 0.00000 274 4PZ 0.00137 -0.04417 0.00000 0.00000 0.00449 275 13 H 1S -0.01156 -0.02555 0.00597 0.00000 0.01095 276 2S -0.08210 -0.08191 0.02598 0.00000 -0.08649 277 3S 0.10455 -1.55309 -0.82536 0.00000 0.32057 278 4PX 0.00000 0.00000 0.00000 -0.00143 0.00000 279 4PY 0.00082 0.02278 0.00925 0.00000 0.00037 280 4PZ -0.00428 0.01356 -0.00553 0.00000 -0.00013 91 92 93 94 95 (B2)--V (A1)--V (B2)--V (A1)--V (B2)--V Eigenvalues -- 0.24961 0.26080 0.27063 0.27363 0.27992 1 1 C 1S 0.01964 0.00608 0.00435 0.01573 -0.00789 2 2S 0.03241 0.01076 0.00777 0.02723 -0.01276 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY -0.00319 0.02090 -0.02587 -0.00093 -0.03451 5 2PZ 0.01129 0.01338 -0.02917 0.01631 -0.01439 6 3S -0.07469 -0.07039 -0.02604 -0.17050 0.05652 7 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 3PY -0.03700 0.03312 -0.02118 -0.02069 -0.00322 9 3PZ -0.01592 -0.00288 -0.05838 0.01632 -0.02004 10 4S -0.99234 0.78337 -0.15801 1.85934 -0.10290 11 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 12 4PY 0.31613 0.98485 0.18162 1.43728 -0.28125 13 4PZ 0.01647 0.27876 -0.98124 0.93513 -0.91070 14 5S 29.13988 -49.93004 18.85469-149.39894 3.94352 15 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 5PY 9.56064 7.64578 -47.62248 -21.80276 18.25050 17 5PZ -5.34955 -18.04937 83.69277 -14.01288 -21.05901 18 6D 0 0.00998 0.00326 0.00470 -0.00227 0.00441 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 -0.00938 -0.00042 0.00330 -0.00280 0.00987 21 6D+2 -0.00019 0.00248 -0.00031 -0.00302 0.00177 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 7D 0 -0.01860 -0.03351 -0.04156 0.01138 -0.02879 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 0.05291 0.06158 -0.03053 0.06762 -0.06303 26 7D+2 -0.01370 -0.06569 -0.01861 -0.13137 0.03588 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 C 1S 0.00000 -0.00301 0.00000 -0.01921 0.00000 29 2S 0.00000 -0.00582 0.00000 -0.03278 0.00000 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY -0.04540 0.00000 -0.00104 0.00000 0.05084 32 2PZ 0.00000 -0.00106 0.00000 0.01040 0.00000 33 3S 0.00000 0.07114 0.00000 0.18180 0.00000 34 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 35 3PY -0.07863 0.00000 0.03303 0.00000 0.10197 36 3PZ 0.00000 -0.02036 0.00000 0.02864 0.00000 37 4S 0.00000 -1.50545 0.00000 -1.96897 0.00000 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY -0.46997 0.00000 0.65422 0.00000 0.59218 40 4PZ 0.00000 -0.90194 0.00000 -1.56744 0.00000 41 5S 0.00000 -18.49068 0.00000 145.94165 0.00000 42 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 5PY 13.90809 0.00000 -90.96274 0.00000 25.12713 44 5PZ 0.00000 2.32069 0.00000 26.54953 0.00000 45 6D 0 0.00000 -0.00011 0.00000 0.00171 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.01058 0.00000 0.00481 0.00000 0.00420 48 6D+2 0.00000 0.00005 0.00000 0.00449 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00000 -0.08838 0.00000 -0.16241 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.03964 0.00000 0.06524 0.00000 0.02142 53 7D+2 0.00000 -0.00615 0.00000 0.05328 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S -0.01964 0.00608 -0.00435 0.01573 0.00789 56 2S -0.03241 0.01076 -0.00777 0.02723 0.01276 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY -0.00319 -0.02090 -0.02587 0.00093 -0.03451 59 2PZ -0.01129 0.01338 0.02917 0.01631 0.01439 60 3S 0.07469 -0.07039 0.02604 -0.17050 -0.05652 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY -0.03700 -0.03312 -0.02118 0.02069 -0.00322 63 3PZ 0.01592 -0.00288 0.05838 0.01632 0.02004 64 4S 0.99234 0.78337 0.15801 1.85934 0.10290 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY 0.31613 -0.98485 0.18162 -1.43728 -0.28125 67 4PZ -0.01647 0.27876 0.98124 0.93513 0.91070 68 5S -29.13988 -49.93004 -18.85469-149.39894 -3.94352 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY 9.56064 -7.64578 -47.62248 21.80276 18.25050 71 5PZ 5.34955 -18.04937 -83.69277 -14.01288 21.05901 72 6D 0 -0.00998 0.00326 -0.00470 -0.00227 -0.00441 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 -0.00938 0.00042 0.00330 0.00280 0.00987 75 6D+2 0.00019 0.00248 0.00031 -0.00302 -0.00177 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.01860 -0.03351 0.04156 0.01138 0.02879 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.05291 -0.06158 -0.03053 -0.06762 -0.06303 80 7D+2 0.01370 -0.06569 0.01861 -0.13137 -0.03588 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S 0.03004 -0.01836 0.01620 -0.00087 0.00558 83 2S 0.04788 -0.03035 0.02695 -0.00208 0.00926 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY -0.09240 -0.00669 0.02340 0.01145 0.05230 86 2PZ 0.00088 0.01699 -0.00553 -0.01152 0.00551 87 3S -0.09399 0.10109 -0.07800 0.09483 -0.00359 88 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 3PY -0.09955 -0.02483 0.02292 0.04258 0.06462 90 3PZ 0.05026 0.00695 0.01785 -0.01927 0.00812 91 4S -1.55871 -0.01028 -0.41365 -2.86960 -0.81706 92 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 4PY -1.03168 0.58626 -0.39941 1.67076 0.46825 94 4PZ 0.01657 0.56071 0.94043 0.39958 0.83208 95 5S 43.29317 58.91069 5.36410 155.52048 126.43619 96 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PY -13.87723 5.53874 49.35863 -23.02713 -37.44415 98 5PZ 4.74487 -26.18447 -92.88025 -14.12471 49.85153 99 6D 0 -0.00063 0.00312 0.00673 -0.00186 0.00204 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 0.00180 0.00283 -0.00070 -0.00367 -0.00369 102 6D+2 -0.00127 0.00222 -0.00108 0.00185 0.00277 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 -0.03221 0.06666 -0.03415 -0.03300 -0.03259 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 0.05954 -0.10845 -0.06144 -0.02116 -0.07951 107 7D+2 -0.03610 0.06277 -0.04436 0.12516 0.02585 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 5 C 1S 0.00000 0.02285 0.00000 -0.00190 0.00000 110 2S 0.00000 0.03841 0.00000 -0.00137 0.00000 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY 0.02531 0.00000 0.04368 0.00000 0.02555 113 2PZ 0.00000 -0.02270 0.00000 0.02023 0.00000 114 3S 0.00000 -0.11972 0.00000 -0.11238 0.00000 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY 0.07483 0.00000 0.03959 0.00000 0.03362 117 3PZ 0.00000 0.01230 0.00000 -0.01642 0.00000 118 4S 0.00000 -0.43039 0.00000 3.41118 0.00000 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY -0.23824 0.00000 -0.86089 0.00000 -0.05726 121 4PZ 0.00000 -1.28953 0.00000 -1.77167 0.00000 122 5S 0.00000 10.39318 0.00000-140.38969 0.00000 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 5PY -23.11496 0.00000 97.32215 0.00000-106.77241 125 5PZ 0.00000 21.35529 0.00000 38.93741 0.00000 126 6D 0 0.00000 -0.00567 0.00000 -0.00342 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 -0.00734 0.00000 0.01156 0.00000 0.01417 129 6D+2 0.00000 -0.00857 0.00000 0.00761 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00000 0.10192 0.00000 0.03582 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.01866 0.00000 0.11965 0.00000 0.01474 134 7D+2 0.00000 0.02289 0.00000 -0.10035 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S -0.03004 -0.01836 -0.01620 -0.00087 -0.00558 137 2S -0.04788 -0.03035 -0.02695 -0.00208 -0.00926 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY -0.09240 0.00669 0.02340 -0.01145 0.05230 140 2PZ -0.00088 0.01699 0.00553 -0.01152 -0.00551 141 3S 0.09399 0.10109 0.07800 0.09483 0.00359 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY -0.09955 0.02483 0.02292 -0.04258 0.06462 144 3PZ -0.05026 0.00695 -0.01785 -0.01927 -0.00812 145 4S 1.55871 -0.01028 0.41365 -2.86960 0.81706 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY -1.03168 -0.58626 -0.39941 -1.67076 0.46825 148 4PZ -0.01657 0.56071 -0.94043 0.39958 -0.83208 149 5S -43.29317 58.91069 -5.36410 155.52048-126.43619 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY -13.87723 -5.53874 49.35863 23.02713 -37.44415 152 5PZ -4.74487 -26.18447 92.88025 -14.12471 -49.85153 153 6D 0 0.00063 0.00312 -0.00673 -0.00186 -0.00204 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00180 -0.00283 -0.00070 0.00367 -0.00369 156 6D+2 0.00127 0.00222 0.00108 0.00185 -0.00277 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.03221 0.06666 0.03415 -0.03300 0.03259 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 0.05954 0.10845 -0.06144 0.02116 -0.07951 161 7D+2 0.03610 0.06277 0.04436 0.12516 -0.02585 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S -0.04202 -0.03350 -0.00244 -0.03099 0.03497 164 2S -0.06997 0.03552 0.01531 0.06683 0.04047 165 3S -2.64544 -1.88874 -0.48578 -2.90337 1.73337 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.02490 0.02148 0.00363 0.01457 -0.01209 168 4PZ -0.00666 -0.00813 0.00369 -0.01206 0.01071 169 8 Mg 1S 0.00000 -0.00480 0.00000 0.00093 0.00000 170 2S 0.00000 -0.01267 0.00000 0.00241 0.00000 171 3S 0.00000 0.02984 0.00000 -0.00506 0.00000 172 4S 0.00000 0.07704 0.00000 -0.01874 0.00000 173 5S 0.00000 -1.99309 0.00000 0.34362 0.00000 174 6S 0.00000 -4.67802 0.00000 -7.51414 0.00000 175 7S 0.00000 0.20880 0.00000 0.86731 0.00000 176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PY 0.40516 0.00000 -0.08940 0.00000 -0.43806 178 7PZ 0.00000 -0.17050 0.00000 -0.44026 0.00000 179 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY 0.00089 0.00000 -0.01287 0.00000 -0.05312 181 8PZ 0.00000 0.05220 0.00000 -0.02399 0.00000 182 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 9PY 0.00660 0.00000 -0.02410 0.00000 -0.05758 184 9PZ 0.00000 0.07186 0.00000 -0.03272 0.00000 185 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 186 10PY -0.08229 0.00000 0.14524 0.00000 -0.12359 187 10PZ 0.00000 -0.14571 0.00000 0.00267 0.00000 188 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 11PY 0.68943 0.00000 -0.61927 0.00000 3.01472 190 11PZ 0.00000 -1.16116 0.00000 0.21382 0.00000 191 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 192 12PY 2.24402 0.00000 2.92854 0.00000 3.35230 193 12PZ 0.00000 3.19134 0.00000 11.19124 0.00000 194 13D 0 0.00000 -0.06357 0.00000 0.02272 0.00000 195 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 196 13D-1 0.02859 0.00000 -0.06674 0.00000 -0.00265 197 13D+2 0.00000 -0.02611 0.00000 -0.00441 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00000 0.65966 0.00000 0.49620 0.00000 200 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 201 14D-1 0.04588 0.00000 -1.13247 0.00000 -0.70427 202 14D+2 0.00000 -0.62985 0.00000 0.20007 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 -0.00179 0.00000 0.00126 0.00000 205 2S 0.00000 -0.00577 0.00000 0.00406 0.00000 206 3S 0.00000 0.01555 0.00000 -0.01083 0.00000 207 4S 0.00000 0.02003 0.00000 -0.01461 0.00000 208 5S 0.00000 -0.04123 0.00000 0.03078 0.00000 209 6S 0.00000 -0.05046 0.00000 0.03182 0.00000 210 7S 0.00000 0.12337 0.00000 -0.05060 0.00000 211 8S 0.00000 0.00229 0.00000 -0.42150 0.00000 212 9S 0.00000 -2.44248 0.00000 -8.49511 0.00000 213 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 214 9PY -0.58865 0.00000 -0.96137 0.00000 -0.14561 215 9PZ 0.00000 1.17872 0.00000 2.25286 0.00000 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY -0.00017 0.00000 -0.00054 0.00000 0.00005 218 10PZ 0.00000 -0.00093 0.00000 0.00071 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY -0.00130 0.00000 -0.00467 0.00000 0.00046 221 11PZ 0.00000 -0.00741 0.00000 0.00572 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00271 0.00000 0.01364 0.00000 -0.00178 224 12PZ 0.00000 0.01777 0.00000 -0.01442 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.01055 0.00000 -0.01049 0.00000 0.00631 227 13PZ 0.00000 0.03136 0.00000 -0.01570 0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY -0.02460 0.00000 0.02416 0.00000 -0.01438 230 14PZ 0.00000 -0.07574 0.00000 0.03795 0.00000 231 15PX 0.00000 0.00000 0.00000 0.00000 0.00000 232 15PY 0.03644 0.00000 -0.11519 0.00000 0.03469 233 15PZ 0.00000 0.09883 0.00000 -0.02387 0.00000 234 16PX 0.00000 0.00000 0.00000 0.00000 0.00000 235 16PY -0.16308 0.00000 0.41095 0.00000 -0.04572 236 16PZ 0.00000 -0.48752 0.00000 0.57041 0.00000 237 17D 0 0.00000 0.06130 0.00000 -0.01825 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.02756 0.00000 -0.02766 0.00000 0.01178 240 17D+2 0.00000 0.03068 0.00000 -0.00887 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 0.02401 0.00000 -0.00907 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00869 0.00000 -0.01675 0.00000 0.00223 245 18D+2 0.00000 0.00469 0.00000 -0.00194 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 -0.06082 0.00000 0.02203 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 -0.02294 0.00000 0.03885 0.00000 -0.00712 250 19D+2 0.00000 -0.01635 0.00000 0.00587 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00000 -0.22465 0.00000 0.04215 0.00000 253 20D+1 0.00000 0.00000 0.00000 0.00000 0.00000 254 20D-1 -0.11377 0.00000 0.05562 0.00000 -0.06133 255 20D+2 0.00000 -0.15526 0.00000 0.04226 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.04202 -0.03350 0.00244 -0.03099 -0.03497 258 2S 0.06997 0.03552 -0.01531 0.06683 -0.04047 259 3S 2.64544 -1.88874 0.48578 -2.90337 -1.73337 260 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 261 4PY 0.02490 -0.02148 0.00363 -0.01457 -0.01209 262 4PZ 0.00666 -0.00813 -0.00369 -0.01206 -0.01071 263 11 H 1S 0.00674 -0.00363 -0.01047 0.03117 0.00158 264 2S -0.00696 -0.01709 -0.03998 -0.09018 -0.14606 265 3S -0.59692 1.07457 0.41844 3.17716 1.79895 266 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 267 4PY -0.00973 0.01029 0.00565 0.02798 0.02697 268 4PZ 0.01247 -0.00947 0.00056 -0.01410 -0.00359 269 12 H 1S 0.00000 -0.01357 0.00000 -0.03002 0.00000 270 2S 0.00000 -0.00906 0.00000 0.14181 0.00000 271 3S 0.00000 -0.78382 0.00000 -3.07253 0.00000 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY -0.00935 0.00000 -0.00598 0.00000 -0.00064 274 4PZ 0.00000 0.01312 0.00000 0.03486 0.00000 275 13 H 1S -0.00674 -0.00363 0.01047 0.03117 -0.00158 276 2S 0.00696 -0.01709 0.03998 -0.09018 0.14606 277 3S 0.59692 1.07457 -0.41844 3.17716 -1.79895 278 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 4PY -0.00973 -0.01029 0.00565 -0.02798 0.02697 280 4PZ -0.01247 -0.00947 -0.00056 -0.01410 0.00359 96 97 98 99 100 (A1)--V (A1)--V (B2)--V (A1)--V (A2)--V Eigenvalues -- 0.31127 0.32121 0.32423 0.33457 0.35741 1 1 C 1S 0.00593 0.00635 0.03040 -0.01542 0.00000 2 2S 0.00933 0.01052 0.05062 -0.02564 0.00000 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00190 4 2PY -0.00459 -0.07809 -0.08275 -0.01405 0.00000 5 2PZ -0.00741 0.05654 -0.00265 0.07371 0.00000 6 3S 0.05053 0.00012 -0.08100 0.07945 0.00000 7 3PX 0.00000 0.00000 0.00000 0.00000 0.00721 8 3PY -0.03434 -0.12984 -0.19558 -0.00986 0.00000 9 3PZ -0.05769 0.14146 -0.01661 0.13588 0.00000 10 4S -3.30944 -0.65459 -4.02854 0.46423 0.00000 11 4PX 0.00000 0.00000 0.00000 0.00000 -0.01678 12 4PY -0.89819 -2.01344 -1.56897 -0.54620 0.00000 13 4PZ -1.03135 1.67573 -0.26967 0.77025 0.00000 14 5S 36.42272 3.52583 16.14865 6.98034 0.00000 15 5PX 0.00000 0.00000 0.00000 0.00000 0.34608 16 5PY 6.19033 4.23272 3.50116 8.38323 0.00000 17 5PZ 3.04086 -6.96069 -8.48580 -6.11783 0.00000 18 6D 0 0.00117 -0.02658 0.01516 -0.00848 0.00000 19 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00029 20 6D-1 -0.01147 -0.01226 -0.01526 0.00643 0.00000 21 6D+2 -0.00568 -0.01846 -0.00259 -0.00123 0.00000 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00015 23 7D 0 -0.09871 0.06890 0.00459 -0.02300 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.00000 -0.01481 25 7D-1 0.00926 0.00500 -0.00838 0.04321 0.00000 26 7D+2 0.03871 0.07282 0.06225 0.02788 0.00000 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00141 28 2 C 1S -0.00995 -0.03739 0.00000 -0.00116 0.00000 29 2S -0.01664 -0.06203 0.00000 -0.00142 0.00000 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY 0.00000 0.00000 -0.11308 0.00000 0.00000 32 2PZ 0.07054 0.09319 0.00000 -0.03158 0.00000 33 3S -0.01104 0.08366 0.00000 -0.00050 0.00000 34 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 35 3PY 0.00000 0.00000 -0.22681 0.00000 0.00000 36 3PZ 0.09239 0.21536 0.00000 0.02996 0.00000 37 4S 1.92849 4.96585 0.00000 1.41385 0.00000 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY 0.00000 0.00000 -2.91000 0.00000 0.00000 40 4PZ 1.85803 2.03115 0.00000 -0.06083 0.00000 41 5S -33.57274 -23.61546 0.00000 -37.99638 0.00000 42 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 5PY 0.00000 0.00000 16.47731 0.00000 0.00000 44 5PZ -4.24921 0.32173 0.00000 -4.19816 0.00000 45 6D 0 -0.00549 0.01177 0.00000 0.01510 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00000 0.03886 0.00000 0.00000 48 6D+2 0.00281 0.02088 0.00000 0.00804 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00041 50 7D 0 0.00111 0.08385 0.00000 -0.04549 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.00000 -0.10962 0.00000 0.00000 53 7D+2 -0.11162 -0.03843 0.00000 -0.01627 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 -0.01095 55 3 C 1S 0.00593 0.00635 -0.03040 -0.01542 0.00000 56 2S 0.00933 0.01052 -0.05062 -0.02564 0.00000 57 2PX 0.00000 0.00000 0.00000 0.00000 -0.00190 58 2PY 0.00459 0.07809 -0.08275 0.01405 0.00000 59 2PZ -0.00741 0.05654 0.00265 0.07371 0.00000 60 3S 0.05053 0.00012 0.08100 0.07945 0.00000 61 3PX 0.00000 0.00000 0.00000 0.00000 -0.00721 62 3PY 0.03434 0.12984 -0.19558 0.00986 0.00000 63 3PZ -0.05769 0.14146 0.01661 0.13588 0.00000 64 4S -3.30944 -0.65459 4.02854 0.46423 0.00000 65 4PX 0.00000 0.00000 0.00000 0.00000 0.01678 66 4PY 0.89819 2.01344 -1.56897 0.54620 0.00000 67 4PZ -1.03135 1.67573 0.26967 0.77025 0.00000 68 5S 36.42272 3.52583 -16.14865 6.98034 0.00000 69 5PX 0.00000 0.00000 0.00000 0.00000 -0.34608 70 5PY -6.19033 -4.23272 3.50116 -8.38323 0.00000 71 5PZ 3.04086 -6.96069 8.48580 -6.11783 0.00000 72 6D 0 0.00117 -0.02658 -0.01516 -0.00848 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00029 74 6D-1 0.01147 0.01226 -0.01526 -0.00643 0.00000 75 6D+2 -0.00568 -0.01846 0.00259 -0.00123 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00015 77 7D 0 -0.09871 0.06890 -0.00459 -0.02300 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.01481 79 7D-1 -0.00926 -0.00500 -0.00838 -0.04321 0.00000 80 7D+2 0.03871 0.07282 -0.06225 0.02788 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00141 82 4 C 1S 0.01254 0.01381 0.00258 0.00859 0.00000 83 2S 0.02127 0.02347 0.00485 0.01488 0.00000 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00271 85 2PY 0.04504 0.02154 0.03546 -0.05123 0.00000 86 2PZ -0.04070 0.07320 0.08217 0.06204 0.00000 87 3S -0.07592 -0.04758 0.00771 -0.08726 0.00000 88 3PX 0.00000 0.00000 0.00000 0.00000 0.01782 89 3PY 0.06819 0.05731 -0.01507 -0.07350 0.00000 90 3PZ -0.09470 0.14427 0.11623 0.14494 0.00000 91 4S 0.65136 -1.69234 0.04358 0.57620 0.00000 92 4PX 0.00000 0.00000 0.00000 0.00000 -0.04449 93 4PY 0.84862 0.11847 0.29972 -1.68532 0.00000 94 4PZ -2.08957 0.98105 1.91755 0.87351 0.00000 95 5S -18.32974 -8.71648 -7.41443 -11.51219 0.00000 96 5PX 0.00000 0.00000 0.00000 0.00000 0.50289 97 5PY 2.23221 5.88227 1.08811 9.21665 0.00000 98 5PZ 2.88925 -1.67674 2.29565 -10.95744 0.00000 99 6D 0 -0.01285 0.00198 0.01022 0.01945 0.00000 100 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00050 101 6D-1 -0.01196 -0.01532 0.02061 0.00633 0.00000 102 6D+2 -0.01036 -0.00515 0.00255 0.01425 0.00000 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00035 104 7D 0 0.12330 -0.08202 -0.05303 0.00635 0.00000 105 7D+1 0.00000 0.00000 0.00000 0.00000 -0.01352 106 7D-1 0.00522 0.04371 -0.03649 -0.06512 0.00000 107 7D+2 0.06153 -0.03623 0.02699 -0.04474 0.00000 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00375 109 5 C 1S -0.02941 -0.01169 0.00000 0.02010 0.00000 110 2S -0.05022 -0.01828 0.00000 0.03146 0.00000 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY 0.00000 0.00000 -0.07805 0.00000 0.00000 113 2PZ -0.05055 -0.08031 0.00000 0.06215 0.00000 114 3S 0.13322 -0.00206 0.00000 0.03251 0.00000 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY 0.00000 0.00000 -0.14686 0.00000 0.00000 117 3PZ -0.11608 -0.13334 0.00000 0.17321 0.00000 118 4S 2.19904 1.13662 0.00000 -4.62782 0.00000 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY 0.00000 0.00000 -1.26537 0.00000 0.00000 121 4PZ -1.09648 -0.34364 0.00000 1.42864 0.00000 122 5S 24.85090 28.02108 0.00000 60.72232 0.00000 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 5PY 0.00000 0.00000 -2.06820 0.00000 0.00000 125 5PZ 17.54449 -11.71246 0.00000 5.04581 0.00000 126 6D 0 -0.00203 -0.00777 0.00000 -0.01407 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00000 0.00503 0.00000 0.00000 129 6D+2 0.01717 -0.00439 0.00000 -0.00975 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00062 131 7D 0 0.00938 -0.04157 0.00000 -0.07799 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.00000 0.00000 0.05487 0.00000 0.00000 134 7D+2 -0.00489 -0.06816 0.00000 0.04829 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 -0.02752 136 6 C 1S 0.01254 0.01381 -0.00258 0.00859 0.00000 137 2S 0.02127 0.02347 -0.00485 0.01488 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00000 -0.00271 139 2PY -0.04504 -0.02154 0.03546 0.05123 0.00000 140 2PZ -0.04070 0.07320 -0.08217 0.06204 0.00000 141 3S -0.07592 -0.04758 -0.00771 -0.08726 0.00000 142 3PX 0.00000 0.00000 0.00000 0.00000 -0.01782 143 3PY -0.06819 -0.05731 -0.01507 0.07350 0.00000 144 3PZ -0.09470 0.14427 -0.11623 0.14494 0.00000 145 4S 0.65136 -1.69234 -0.04358 0.57620 0.00000 146 4PX 0.00000 0.00000 0.00000 0.00000 0.04449 147 4PY -0.84862 -0.11847 0.29972 1.68532 0.00000 148 4PZ -2.08957 0.98105 -1.91755 0.87351 0.00000 149 5S -18.32974 -8.71648 7.41443 -11.51219 0.00000 150 5PX 0.00000 0.00000 0.00000 0.00000 -0.50289 151 5PY -2.23221 -5.88227 1.08811 -9.21665 0.00000 152 5PZ 2.88925 -1.67674 -2.29565 -10.95744 0.00000 153 6D 0 -0.01285 0.00198 -0.01022 0.01945 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00050 155 6D-1 0.01196 0.01532 0.02061 -0.00633 0.00000 156 6D+2 -0.01036 -0.00515 -0.00255 0.01425 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00035 158 7D 0 0.12330 -0.08202 0.05303 0.00635 0.00000 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.01352 160 7D-1 -0.00522 -0.04371 -0.03649 0.06512 0.00000 161 7D+2 0.06153 -0.03623 -0.02699 -0.04474 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00375 163 7 H 1S 0.00172 -0.02095 -0.02822 -0.02399 0.00000 164 2S 0.12004 -0.11779 -0.14584 -0.04352 0.00000 165 3S -0.44100 -0.17462 1.81332 1.10121 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00000 -0.00153 167 4PY -0.00290 -0.00478 -0.03198 0.00517 0.00000 168 4PZ -0.01808 0.00350 -0.00846 0.03138 0.00000 169 8 Mg 1S -0.00692 0.00124 0.00000 -0.01018 0.00000 170 2S -0.01840 0.00339 0.00000 -0.02744 0.00000 171 3S 0.04449 -0.00907 0.00000 0.07047 0.00000 172 4S 0.10939 -0.01618 0.00000 0.14070 0.00000 173 5S -2.15905 1.14993 0.00000 -2.32162 0.00000 174 6S -17.68372 0.06215 0.00000 -5.25148 0.00000 175 7S 0.85417 -0.46655 0.00000 0.79889 0.00000 176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PY 0.00000 0.00000 -0.28306 0.00000 0.00000 178 7PZ -0.53465 -0.01742 0.00000 0.07673 0.00000 179 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY 0.00000 0.00000 0.00398 0.00000 0.00000 181 8PZ -0.02250 0.00430 0.00000 -0.05341 0.00000 182 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 9PY 0.00000 0.00000 0.00689 0.00000 0.00000 184 9PZ -0.02790 0.00504 0.00000 -0.06855 0.00000 185 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 186 10PY 0.00000 0.00000 -0.03058 0.00000 0.00000 187 10PZ -0.03680 0.02184 0.00000 0.05741 0.00000 188 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 11PY 0.00000 0.00000 0.21450 0.00000 0.00000 190 11PZ 2.31183 -0.91682 0.00000 2.39499 0.00000 191 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 192 12PY 0.00000 0.00000 0.09234 0.00000 0.00000 193 12PZ 12.02167 -3.97618 0.00000 7.57276 0.00000 194 13D 0 0.02090 -0.05200 0.00000 0.08202 0.00000 195 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 196 13D-1 0.00000 0.00000 0.01354 0.00000 0.00000 197 13D+2 0.03640 -0.00032 0.00000 -0.03130 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 -0.05342 199 14D 0 1.04868 -1.41936 0.00000 0.83108 0.00000 200 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 201 14D-1 0.00000 0.00000 -0.14753 0.00000 0.00000 202 14D+2 -0.10196 0.02650 0.00000 -0.27499 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 -0.41916 204 9 Br 1S 0.00062 -0.00141 0.00000 0.00237 0.00000 205 2S 0.00190 -0.00449 0.00000 0.00763 0.00000 206 3S -0.00423 0.01147 0.00000 -0.02005 0.00000 207 4S -0.01083 0.01859 0.00000 -0.02895 0.00000 208 5S 0.02786 -0.04231 0.00000 0.06299 0.00000 209 6S -0.01220 -0.01870 0.00000 0.05025 0.00000 210 7S 0.14872 -0.05316 0.00000 -0.03681 0.00000 211 8S -1.12782 1.16383 0.00000 -1.10501 0.00000 212 9S -6.54956 4.84819 0.00000 -6.64025 0.00000 213 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 214 9PY 0.00000 0.00000 0.10290 0.00000 0.00000 215 9PZ 1.36575 -1.23540 0.00000 1.28450 0.00000 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 -0.00087 0.00000 0.00000 218 10PZ -0.00171 0.00035 0.00000 -0.00073 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 -0.00730 0.00000 0.00000 221 11PZ -0.01429 0.00299 0.00000 -0.00644 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00000 0.02012 0.00000 0.00000 224 12PZ 0.03943 -0.00892 0.00000 0.01979 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 0.00000 -0.00100 0.00000 0.00000 227 13PZ -0.00233 0.00889 0.00000 -0.02606 0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 0.00000 0.00099 0.00000 0.00000 230 14PZ 0.00354 -0.02131 0.00000 0.06152 0.00000 231 15PX 0.00000 0.00000 0.00000 0.00000 0.00000 232 15PY 0.00000 0.00000 -0.09283 0.00000 0.00000 233 15PZ -0.19978 0.10569 0.00000 -0.24823 0.00000 234 16PX 0.00000 0.00000 0.00000 0.00000 0.00000 235 16PY 0.00000 0.00000 0.11278 0.00000 0.00000 236 16PZ 1.11658 -1.16914 0.00000 1.57053 0.00000 237 17D 0 -0.02149 0.01991 0.00000 -0.04376 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.00732 0.00000 0.00000 240 17D+2 0.06544 -0.01156 0.00000 -0.00157 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 -0.16084 242 18D 0 -0.01380 0.01363 0.00000 -0.02394 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00000 -0.00063 0.00000 0.00000 245 18D+2 0.00296 -0.00087 0.00000 0.00200 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 -0.00961 247 19D 0 0.03270 -0.03212 0.00000 0.05859 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00000 -0.00067 0.00000 0.00000 250 19D+2 -0.02292 0.00473 0.00000 -0.00333 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.06352 252 20D 0 0.00600 -0.00250 0.00000 0.08765 0.00000 253 20D+1 0.00000 0.00000 0.00000 0.00000 0.00000 254 20D-1 0.00000 0.00000 -0.05171 0.00000 0.00000 255 20D+2 -0.38248 0.06654 0.00000 0.02005 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.96449 257 10 H 1S 0.00172 -0.02095 0.02822 -0.02399 0.00000 258 2S 0.12004 -0.11779 0.14584 -0.04352 0.00000 259 3S -0.44100 -0.17462 -1.81332 1.10121 0.00000 260 4PX 0.00000 0.00000 0.00000 0.00000 0.00153 261 4PY 0.00290 0.00478 -0.03198 -0.00517 0.00000 262 4PZ -0.01808 0.00350 0.00846 0.03138 0.00000 263 11 H 1S -0.02325 0.02363 0.03773 0.01347 0.00000 264 2S -0.02405 0.08929 0.12101 0.07809 0.00000 265 3S -1.11652 -0.84123 0.76280 -0.50062 0.00000 266 4PX 0.00000 0.00000 0.00000 0.00000 -0.00193 267 4PY -0.00382 0.00481 0.00146 0.00078 0.00000 268 4PZ 0.00344 0.03557 -0.00597 0.01363 0.00000 269 12 H 1S -0.02108 0.03761 0.00000 0.04246 0.00000 270 2S -0.01872 0.10200 0.00000 0.25962 0.00000 271 3S 1.61090 1.21302 0.00000 -0.81285 0.00000 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 -0.04364 0.00000 0.00000 274 4PZ -0.01470 -0.00977 0.00000 0.02217 0.00000 275 13 H 1S -0.02325 0.02363 -0.03773 0.01347 0.00000 276 2S -0.02405 0.08929 -0.12101 0.07809 0.00000 277 3S -1.11652 -0.84123 -0.76280 -0.50062 0.00000 278 4PX 0.00000 0.00000 0.00000 0.00000 0.00193 279 4PY 0.00382 -0.00481 0.00146 -0.00078 0.00000 280 4PZ 0.00344 0.03557 0.00597 0.01363 0.00000 101 102 103 104 105 (B2)--V (A1)--V (A1)--V (B1)--V (B2)--V Eigenvalues -- 0.37084 0.37985 0.41333 0.41522 0.43746 1 1 C 1S -0.01762 0.00386 -0.01023 0.00000 0.00392 2 2S -0.02962 0.00507 -0.01852 0.00000 0.00639 3 2PX 0.00000 0.00000 0.00000 0.00039 0.00000 4 2PY 0.01749 0.00775 0.02584 0.00000 -0.01584 5 2PZ 0.07401 -0.00808 0.03337 0.00000 -0.00746 6 3S 0.04791 0.03726 0.08444 0.00000 -0.00069 7 3PX 0.00000 0.00000 0.00000 0.00027 0.00000 8 3PY -0.00573 0.00067 0.04803 0.00000 -0.05200 9 3PZ 0.09458 -0.03074 0.04369 0.00000 0.05131 10 4S 1.00067 -1.42736 -0.19213 0.00000 -0.10368 11 4PX 0.00000 0.00000 0.00000 -0.00844 0.00000 12 4PY 0.40341 -0.41335 0.27952 0.00000 -0.01498 13 4PZ 1.54425 -0.52879 -0.38931 0.00000 -0.64493 14 5S 19.72253 17.71410 24.82286 0.00000 -15.25975 15 5PX 0.00000 0.00000 0.00000 -0.32194 0.00000 16 5PY 4.81055 6.04309 -0.45530 0.00000 5.76824 17 5PZ 1.09942 -0.72029 7.67340 0.00000 -13.93482 18 6D 0 -0.01451 0.00665 0.00475 0.00000 0.01145 19 6D+1 0.00000 0.00000 0.00000 0.00010 0.00000 20 6D-1 -0.01629 -0.00968 0.00140 0.00000 0.00833 21 6D+2 -0.00184 0.00017 0.00297 0.00000 0.00480 22 6D-2 0.00000 0.00000 0.00000 0.00088 0.00000 23 7D 0 0.04316 -0.01737 -0.02979 0.00000 -0.01716 24 7D+1 0.00000 0.00000 0.00000 0.05188 0.00000 25 7D-1 0.00088 -0.03329 -0.03150 0.00000 0.00180 26 7D+2 -0.02993 0.02395 -0.04415 0.00000 0.02136 27 7D-2 0.00000 0.00000 0.00000 0.06781 0.00000 28 2 C 1S 0.00000 -0.00783 0.00193 0.00000 0.00000 29 2S 0.00000 -0.01415 0.00283 0.00000 0.00000 30 2PX 0.00000 0.00000 0.00000 0.00041 0.00000 31 2PY -0.04302 0.00000 0.00000 0.00000 0.03800 32 2PZ 0.00000 0.02980 -0.00207 0.00000 0.00000 33 3S 0.00000 0.03970 0.02806 0.00000 0.00000 34 3PX 0.00000 0.00000 0.00000 -0.00101 0.00000 35 3PY -0.09381 0.00000 0.00000 0.00000 0.12888 36 3PZ 0.00000 0.02736 0.00851 0.00000 0.00000 37 4S 0.00000 0.67214 -0.86330 0.00000 0.00000 38 4PX 0.00000 0.00000 0.00000 -0.04277 0.00000 39 4PY -0.21225 0.00000 0.00000 0.00000 -0.11181 40 4PZ 0.00000 0.65128 -0.38276 0.00000 0.00000 41 5S 0.00000 -29.25186 0.41727 0.00000 0.00000 42 5PX 0.00000 0.00000 0.00000 0.27639 0.00000 43 5PY 2.83994 0.00000 0.00000 0.00000 12.69850 44 5PZ 0.00000 -3.69765 -2.25306 0.00000 0.00000 45 6D 0 0.00000 -0.01012 0.00257 0.00000 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00124 0.00000 47 6D-1 -0.01153 0.00000 0.00000 0.00000 0.01044 48 6D+2 0.00000 -0.00361 -0.00348 0.00000 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00000 -0.00296 -0.00419 0.00000 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.06575 0.00000 52 7D-1 -0.02062 0.00000 0.00000 0.00000 0.01560 53 7D+2 0.00000 -0.02892 0.00025 0.00000 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.01762 0.00386 -0.01023 0.00000 -0.00392 56 2S 0.02962 0.00507 -0.01852 0.00000 -0.00639 57 2PX 0.00000 0.00000 0.00000 0.00039 0.00000 58 2PY 0.01749 -0.00775 -0.02584 0.00000 -0.01584 59 2PZ -0.07401 -0.00808 0.03337 0.00000 0.00746 60 3S -0.04791 0.03726 0.08444 0.00000 0.00069 61 3PX 0.00000 0.00000 0.00000 0.00027 0.00000 62 3PY -0.00573 -0.00067 -0.04803 0.00000 -0.05200 63 3PZ -0.09458 -0.03074 0.04369 0.00000 -0.05131 64 4S -1.00067 -1.42736 -0.19213 0.00000 0.10368 65 4PX 0.00000 0.00000 0.00000 -0.00844 0.00000 66 4PY 0.40341 0.41335 -0.27952 0.00000 -0.01498 67 4PZ -1.54425 -0.52879 -0.38931 0.00000 0.64493 68 5S -19.72253 17.71410 24.82286 0.00000 15.25975 69 5PX 0.00000 0.00000 0.00000 -0.32194 0.00000 70 5PY 4.81055 -6.04309 0.45530 0.00000 5.76824 71 5PZ -1.09942 -0.72029 7.67340 0.00000 13.93482 72 6D 0 0.01451 0.00665 0.00475 0.00000 -0.01145 73 6D+1 0.00000 0.00000 0.00000 0.00010 0.00000 74 6D-1 -0.01629 0.00968 -0.00140 0.00000 0.00833 75 6D+2 0.00184 0.00017 0.00297 0.00000 -0.00480 76 6D-2 0.00000 0.00000 0.00000 -0.00088 0.00000 77 7D 0 -0.04316 -0.01737 -0.02979 0.00000 0.01716 78 7D+1 0.00000 0.00000 0.00000 0.05188 0.00000 79 7D-1 0.00088 0.03329 0.03150 0.00000 0.00180 80 7D+2 0.02993 0.02395 -0.04415 0.00000 -0.02136 81 7D-2 0.00000 0.00000 0.00000 -0.06781 0.00000 82 4 C 1S -0.03039 -0.00062 -0.00021 0.00000 0.00685 83 2S -0.04981 -0.00123 -0.00085 0.00000 0.01083 84 2PX 0.00000 0.00000 0.00000 0.01090 0.00000 85 2PY -0.05832 0.02937 0.00296 0.00000 -0.00622 86 2PZ -0.03765 -0.03747 -0.00074 0.00000 0.03231 87 3S 0.04890 -0.01950 0.00181 0.00000 0.02912 88 3PX 0.00000 0.00000 0.00000 0.04034 0.00000 89 3PY -0.12394 0.04807 0.00836 0.00000 -0.01455 90 3PZ -0.10485 -0.06091 -0.00295 0.00000 0.11435 91 4S 4.25926 1.12938 1.23102 0.00000 -2.08845 92 4PX 0.00000 0.00000 0.00000 -0.17005 0.00000 93 4PY -1.67125 -0.28967 -0.90439 0.00000 0.90845 94 4PZ 0.10926 -0.71715 -0.42160 0.00000 -0.64848 95 5S 58.33453 -25.26732 -22.42130 0.00000 -15.63098 96 5PX 0.00000 0.00000 0.00000 0.30763 0.00000 97 5PY -10.51523 7.24799 -1.43777 0.00000 -6.46457 98 5PZ 3.34932 -4.30513 8.73254 0.00000 17.27721 99 6D 0 -0.01431 -0.00203 0.01041 0.00000 -0.00370 100 6D+1 0.00000 0.00000 0.00000 -0.00067 0.00000 101 6D-1 0.01578 -0.00900 -0.00423 0.00000 -0.00900 102 6D+2 0.00708 0.00025 0.00496 0.00000 -0.00824 103 6D-2 0.00000 0.00000 0.00000 -0.00279 0.00000 104 7D 0 0.00262 0.00564 0.01914 0.00000 0.01947 105 7D+1 0.00000 0.00000 0.00000 -0.04424 0.00000 106 7D-1 -0.02753 -0.02958 0.00516 0.00000 0.03150 107 7D+2 -0.06203 -0.02956 -0.03458 0.00000 0.04813 108 7D-2 0.00000 0.00000 0.00000 -0.06219 0.00000 109 5 C 1S 0.00000 -0.01823 -0.03239 0.00000 0.00000 110 2S 0.00000 -0.03127 -0.05239 0.00000 0.00000 111 2PX 0.00000 0.00000 0.00000 0.01418 0.00000 112 2PY -0.12959 0.00000 0.00000 0.00000 0.06283 113 2PZ 0.00000 -0.01799 0.09727 0.00000 0.00000 114 3S 0.00000 0.12442 0.12909 0.00000 0.00000 115 3PX 0.00000 0.00000 0.00000 0.02313 0.00000 116 3PY -0.26728 0.00000 0.00000 0.00000 0.22402 117 3PZ 0.00000 -0.03354 0.06822 0.00000 0.00000 118 4S 0.00000 -0.28192 1.29656 0.00000 0.00000 119 4PX 0.00000 0.00000 0.00000 0.14359 0.00000 120 4PY -3.32172 0.00000 0.00000 0.00000 1.64250 121 4PZ 0.00000 0.69508 3.00481 0.00000 0.00000 122 5S 0.00000 50.68803 7.92227 0.00000 0.00000 123 5PX 0.00000 0.00000 0.00000 -0.04371 0.00000 124 5PY -31.99365 0.00000 0.00000 0.00000 -9.27587 125 5PZ 0.00000 0.82330 4.94859 0.00000 0.00000 126 6D 0 0.00000 -0.00307 -0.01392 0.00000 0.00000 127 6D+1 0.00000 0.00000 0.00000 -0.00187 0.00000 128 6D-1 -0.01954 0.00000 0.00000 0.00000 -0.00350 129 6D+2 0.00000 0.00445 -0.00488 0.00000 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00000 -0.04503 -0.03421 0.00000 0.00000 132 7D+1 0.00000 0.00000 0.00000 -0.07877 0.00000 133 7D-1 0.11646 0.00000 0.00000 0.00000 -0.15620 134 7D+2 0.00000 0.04879 0.02869 0.00000 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S 0.03039 -0.00062 -0.00021 0.00000 -0.00685 137 2S 0.04981 -0.00123 -0.00085 0.00000 -0.01083 138 2PX 0.00000 0.00000 0.00000 0.01090 0.00000 139 2PY -0.05832 -0.02937 -0.00296 0.00000 -0.00622 140 2PZ 0.03765 -0.03747 -0.00074 0.00000 -0.03231 141 3S -0.04890 -0.01950 0.00181 0.00000 -0.02912 142 3PX 0.00000 0.00000 0.00000 0.04034 0.00000 143 3PY -0.12394 -0.04807 -0.00836 0.00000 -0.01455 144 3PZ 0.10485 -0.06091 -0.00295 0.00000 -0.11435 145 4S -4.25926 1.12938 1.23102 0.00000 2.08845 146 4PX 0.00000 0.00000 0.00000 -0.17005 0.00000 147 4PY -1.67125 0.28967 0.90439 0.00000 0.90845 148 4PZ -0.10926 -0.71715 -0.42160 0.00000 0.64848 149 5S -58.33453 -25.26732 -22.42130 0.00000 15.63098 150 5PX 0.00000 0.00000 0.00000 0.30763 0.00000 151 5PY -10.51523 -7.24799 1.43777 0.00000 -6.46457 152 5PZ -3.34932 -4.30513 8.73254 0.00000 -17.27721 153 6D 0 0.01431 -0.00203 0.01041 0.00000 0.00370 154 6D+1 0.00000 0.00000 0.00000 -0.00067 0.00000 155 6D-1 0.01578 0.00900 0.00423 0.00000 -0.00900 156 6D+2 -0.00708 0.00025 0.00496 0.00000 0.00824 157 6D-2 0.00000 0.00000 0.00000 0.00279 0.00000 158 7D 0 -0.00262 0.00564 0.01914 0.00000 -0.01947 159 7D+1 0.00000 0.00000 0.00000 -0.04424 0.00000 160 7D-1 -0.02753 0.02958 -0.00516 0.00000 0.03150 161 7D+2 0.06203 -0.02956 -0.03458 0.00000 -0.04813 162 7D-2 0.00000 0.00000 0.00000 0.06219 0.00000 163 7 H 1S -0.01268 -0.02051 -0.00484 0.00000 -0.00795 164 2S -0.02145 -0.14220 0.03549 0.00000 -0.12504 165 3S -0.50131 0.69134 0.76300 0.00000 0.17904 166 4PX 0.00000 0.00000 0.00000 -0.00454 0.00000 167 4PY 0.00126 -0.00590 -0.00411 0.00000 0.00431 168 4PZ -0.00603 -0.00574 0.00485 0.00000 0.01955 169 8 Mg 1S 0.00000 -0.00641 -0.00995 0.00000 0.00000 170 2S 0.00000 -0.01708 -0.02585 0.00000 0.00000 171 3S 0.00000 0.04171 0.05547 0.00000 0.00000 172 4S 0.00000 0.10269 0.20098 0.00000 0.00000 173 5S 0.00000 -1.48137 -0.82323 0.00000 0.00000 174 6S 0.00000 -7.43441 -21.13610 0.00000 0.00000 175 7S 0.00000 0.48690 0.44841 0.00000 0.00000 176 7PX 0.00000 0.00000 0.00000 0.32038 0.00000 177 7PY -0.11235 0.00000 0.00000 0.00000 0.64201 178 7PZ 0.00000 -0.16625 -0.47373 0.00000 0.00000 179 8PX 0.00000 0.00000 0.00000 -0.01870 0.00000 180 8PY -0.04524 0.00000 0.00000 0.00000 0.00147 181 8PZ 0.00000 -0.01130 -0.05482 0.00000 0.00000 182 9PX 0.00000 0.00000 0.00000 -0.02465 0.00000 183 9PY -0.05424 0.00000 0.00000 0.00000 0.00717 184 9PZ 0.00000 -0.01039 -0.06154 0.00000 0.00000 185 10PX 0.00000 0.00000 0.00000 0.02092 0.00000 186 10PY -0.04007 0.00000 0.00000 0.00000 -0.09510 187 10PZ 0.00000 -0.07939 -0.21567 0.00000 0.00000 188 11PX 0.00000 0.00000 0.00000 0.28669 0.00000 189 11PY 2.21476 0.00000 0.00000 0.00000 -0.10027 190 11PZ 0.00000 1.79445 4.33404 0.00000 0.00000 191 12PX 0.00000 0.00000 0.00000 -0.19556 0.00000 192 12PY 4.03904 0.00000 0.00000 0.00000 -2.50833 193 12PZ 0.00000 1.42736 1.21848 0.00000 0.00000 194 13D 0 0.00000 -0.01059 -0.10270 0.00000 0.00000 195 13D+1 0.00000 0.00000 0.00000 -0.05550 0.00000 196 13D-1 -0.00657 0.00000 0.00000 0.00000 0.02106 197 13D+2 0.00000 -0.08700 0.04392 0.00000 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00000 -0.28731 -3.21647 0.00000 0.00000 200 14D+1 0.00000 0.00000 0.00000 0.51634 0.00000 201 14D-1 -1.62412 0.00000 0.00000 0.00000 1.15788 202 14D+2 0.00000 -0.73433 0.25949 0.00000 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 0.00025 -0.00028 0.00000 0.00000 205 2S 0.00000 0.00082 -0.00079 0.00000 0.00000 206 3S 0.00000 -0.00222 0.00089 0.00000 0.00000 207 4S 0.00000 -0.00285 0.00871 0.00000 0.00000 208 5S 0.00000 0.00592 -0.02576 0.00000 0.00000 209 6S 0.00000 0.00713 0.03328 0.00000 0.00000 210 7S 0.00000 -0.00683 -0.21390 0.00000 0.00000 211 8S 0.00000 -0.09797 1.48294 0.00000 0.00000 212 9S 0.00000 0.30301 5.44572 0.00000 0.00000 213 9PX 0.00000 0.00000 0.00000 -0.92773 0.00000 214 9PY -1.11408 0.00000 0.00000 0.00000 -0.44133 215 9PZ 0.00000 -0.27375 -1.49912 0.00000 0.00000 216 10PX 0.00000 0.00000 0.00000 -0.00748 0.00000 217 10PY -0.00195 0.00000 0.00000 0.00000 -0.00712 218 10PZ 0.00000 -0.00027 0.00608 0.00000 0.00000 219 11PX 0.00000 0.00000 0.00000 -0.06311 0.00000 220 11PY -0.01660 0.00000 0.00000 0.00000 -0.06006 221 11PZ 0.00000 -0.00227 0.05117 0.00000 0.00000 222 12PX 0.00000 0.00000 0.00000 0.17749 0.00000 223 12PY 0.04759 0.00000 0.00000 0.00000 0.16862 224 12PZ 0.00000 0.00611 -0.14301 0.00000 0.00000 225 13PX 0.00000 0.00000 0.00000 -0.04419 0.00000 226 13PY -0.02395 0.00000 0.00000 0.00000 -0.03693 227 13PZ 0.00000 0.00171 0.02651 0.00000 0.00000 228 14PX 0.00000 0.00000 0.00000 0.08861 0.00000 229 14PY 0.05268 0.00000 0.00000 0.00000 0.07206 230 14PZ 0.00000 -0.00484 -0.05725 0.00000 0.00000 231 15PX 0.00000 0.00000 0.00000 -0.99972 0.00000 232 15PY -0.32680 0.00000 0.00000 0.00000 -0.93656 233 15PZ 0.00000 -0.01960 0.83714 0.00000 0.00000 234 16PX 0.00000 0.00000 0.00000 1.22291 0.00000 235 16PY 0.76974 0.00000 0.00000 0.00000 1.05561 236 16PZ 0.00000 0.22650 -1.88893 0.00000 0.00000 237 17D 0 0.00000 0.00643 0.03114 0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 -0.10893 0.00000 239 17D-1 -0.06235 0.00000 0.00000 0.00000 -0.08854 240 17D+2 0.00000 -0.13207 0.02226 0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 -0.00137 0.01471 0.00000 0.00000 243 18D+1 0.00000 0.00000 0.00000 -0.01026 0.00000 244 18D-1 -0.01973 0.00000 0.00000 0.00000 -0.00273 245 18D+2 0.00000 -0.00842 0.00134 0.00000 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00106 -0.03766 0.00000 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.05188 0.00000 249 19D-1 0.05545 0.00000 0.00000 0.00000 0.03208 250 19D+2 0.00000 0.05431 -0.00931 0.00000 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00000 -0.07373 -0.15516 0.00000 0.00000 253 20D+1 0.00000 0.00000 0.00000 0.70042 0.00000 254 20D-1 0.27601 0.00000 0.00000 0.00000 0.62140 255 20D+2 0.00000 0.80378 -0.13930 0.00000 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.01268 -0.02051 -0.00484 0.00000 0.00795 258 2S 0.02145 -0.14220 0.03549 0.00000 0.12504 259 3S 0.50131 0.69134 0.76300 0.00000 -0.17904 260 4PX 0.00000 0.00000 0.00000 -0.00454 0.00000 261 4PY 0.00126 0.00590 0.00411 0.00000 0.00431 262 4PZ 0.00603 -0.00574 0.00485 0.00000 -0.01955 263 11 H 1S 0.03470 -0.02564 0.00224 0.00000 -0.00542 264 2S 0.12739 -0.16739 0.01479 0.00000 -0.00238 265 3S -0.89129 -0.04157 0.22203 0.00000 0.26771 266 4PX 0.00000 0.00000 0.00000 -0.00325 0.00000 267 4PY -0.02318 -0.00213 -0.00026 0.00000 0.01523 268 4PZ -0.01322 -0.00314 -0.01018 0.00000 0.01548 269 12 H 1S 0.00000 -0.03679 0.00951 0.00000 0.00000 270 2S 0.00000 -0.23583 0.11768 0.00000 0.00000 271 3S 0.00000 1.04712 -0.47712 0.00000 0.00000 272 4PX 0.00000 0.00000 0.00000 -0.00238 0.00000 273 4PY 0.00143 0.00000 0.00000 0.00000 -0.01003 274 4PZ 0.00000 -0.00950 0.00616 0.00000 0.00000 275 13 H 1S -0.03470 -0.02564 0.00224 0.00000 0.00542 276 2S -0.12739 -0.16739 0.01479 0.00000 0.00238 277 3S 0.89129 -0.04157 0.22203 0.00000 -0.26771 278 4PX 0.00000 0.00000 0.00000 -0.00325 0.00000 279 4PY -0.02318 0.00213 0.00026 0.00000 0.01523 280 4PZ 0.01322 -0.00314 -0.01018 0.00000 -0.01548 106 107 108 109 110 (A1)--V (A1)--V (B2)--V (B1)--V (A1)--V Eigenvalues -- 0.44022 0.45327 0.47446 0.48036 0.49712 1 1 C 1S 0.00138 0.00752 0.00811 0.00000 0.04318 2 2S 0.00301 0.01438 0.01401 0.00000 0.07024 3 2PX 0.00000 0.00000 0.00000 0.01214 0.00000 4 2PY -0.00664 0.01474 0.02398 0.00000 -0.03588 5 2PZ -0.00136 -0.02123 -0.07987 0.00000 -0.02334 6 3S 0.00239 -0.06844 -0.06667 0.00000 0.03891 7 3PX 0.00000 0.00000 0.00000 0.04524 0.00000 8 3PY 0.03212 0.07383 0.14063 0.00000 0.00427 9 3PZ 0.00669 -0.03870 -0.21979 0.00000 -0.00239 10 4S -0.24429 -0.16186 0.77420 0.00000 -8.05679 11 4PX 0.00000 0.00000 0.00000 0.06930 0.00000 12 4PY -0.03594 0.41511 0.14368 0.00000 -4.15896 13 4PZ -0.29072 -0.60658 0.11342 0.00000 -2.61858 14 5S 21.01014 -20.87088 5.07381 0.00000 35.35503 15 5PX 0.00000 0.00000 0.00000 0.34962 0.00000 16 5PY 2.10511 1.00635 6.79896 0.00000 2.31544 17 5PZ 3.27397 -6.30901 -7.97215 0.00000 3.95444 18 6D 0 -0.00235 -0.00019 -0.01082 0.00000 0.01116 19 6D+1 0.00000 0.00000 0.00000 -0.00195 0.00000 20 6D-1 0.01012 0.01313 -0.00490 0.00000 0.00952 21 6D+2 -0.00725 -0.00535 -0.00833 0.00000 -0.02146 22 6D-2 0.00000 0.00000 0.00000 -0.00339 0.00000 23 7D 0 -0.02192 -0.02916 0.06715 0.00000 0.06498 24 7D+1 0.00000 0.00000 0.00000 -0.13480 0.00000 25 7D-1 0.02934 0.04868 -0.08605 0.00000 -0.28114 26 7D+2 -0.06315 -0.11205 -0.00010 0.00000 0.23277 27 7D-2 0.00000 0.00000 0.00000 -0.21031 0.00000 28 2 C 1S 0.00002 0.00580 0.00000 0.00000 -0.04330 29 2S 0.00072 0.01100 0.00000 0.00000 -0.07133 30 2PX 0.00000 0.00000 0.00000 0.00231 0.00000 31 2PY 0.00000 0.00000 -0.03983 0.00000 0.00000 32 2PZ 0.01272 0.00950 0.00000 0.00000 0.04767 33 3S -0.00988 -0.02704 0.00000 0.00000 -0.00029 34 3PX 0.00000 0.00000 0.00000 0.02031 0.00000 35 3PY 0.00000 0.00000 -0.16606 0.00000 0.00000 36 3PZ 0.05931 0.03836 0.00000 0.00000 0.04474 37 4S 0.07716 -0.99482 0.00000 0.00000 7.77603 38 4PX 0.00000 0.00000 0.00000 0.12515 0.00000 39 4PY 0.00000 0.00000 1.51890 0.00000 0.00000 40 4PZ 0.06458 -0.26471 0.00000 0.00000 4.84544 41 5S -12.94642 0.99305 0.00000 0.00000 -28.13609 42 5PX 0.00000 0.00000 0.00000 -0.37434 0.00000 43 5PY 0.00000 0.00000 8.87618 0.00000 0.00000 44 5PZ -3.01365 1.76875 0.00000 0.00000 -4.25731 45 6D 0 0.01269 0.01332 0.00000 0.00000 -0.01776 46 6D+1 0.00000 0.00000 0.00000 -0.00449 0.00000 47 6D-1 0.00000 0.00000 -0.02094 0.00000 0.00000 48 6D+2 0.00439 0.00169 0.00000 0.00000 0.01432 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.08765 0.07462 0.00000 0.00000 0.41160 51 7D+1 0.00000 0.00000 0.00000 -0.23410 0.00000 52 7D-1 0.00000 0.00000 0.04847 0.00000 0.00000 53 7D+2 -0.03445 -0.04681 0.00000 0.00000 0.00203 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.00138 0.00752 -0.00811 0.00000 0.04318 56 2S 0.00301 0.01438 -0.01401 0.00000 0.07024 57 2PX 0.00000 0.00000 0.00000 0.01214 0.00000 58 2PY 0.00664 -0.01474 0.02398 0.00000 0.03588 59 2PZ -0.00136 -0.02123 0.07987 0.00000 -0.02334 60 3S 0.00239 -0.06844 0.06667 0.00000 0.03891 61 3PX 0.00000 0.00000 0.00000 0.04524 0.00000 62 3PY -0.03212 -0.07383 0.14063 0.00000 -0.00427 63 3PZ 0.00669 -0.03870 0.21979 0.00000 -0.00239 64 4S -0.24429 -0.16186 -0.77420 0.00000 -8.05679 65 4PX 0.00000 0.00000 0.00000 0.06930 0.00000 66 4PY 0.03594 -0.41511 0.14368 0.00000 4.15896 67 4PZ -0.29072 -0.60658 -0.11342 0.00000 -2.61858 68 5S 21.01014 -20.87088 -5.07381 0.00000 35.35503 69 5PX 0.00000 0.00000 0.00000 0.34962 0.00000 70 5PY -2.10511 -1.00635 6.79896 0.00000 -2.31544 71 5PZ 3.27397 -6.30901 7.97215 0.00000 3.95444 72 6D 0 -0.00235 -0.00019 0.01082 0.00000 0.01116 73 6D+1 0.00000 0.00000 0.00000 -0.00195 0.00000 74 6D-1 -0.01012 -0.01313 -0.00490 0.00000 -0.00952 75 6D+2 -0.00725 -0.00535 0.00833 0.00000 -0.02146 76 6D-2 0.00000 0.00000 0.00000 0.00339 0.00000 77 7D 0 -0.02192 -0.02916 -0.06715 0.00000 0.06498 78 7D+1 0.00000 0.00000 0.00000 -0.13480 0.00000 79 7D-1 -0.02934 -0.04868 -0.08605 0.00000 0.28114 80 7D+2 -0.06315 -0.11205 0.00010 0.00000 0.23277 81 7D-2 0.00000 0.00000 0.00000 0.21031 0.00000 82 4 C 1S 0.00582 0.00246 0.01852 0.00000 -0.04105 83 2S 0.01099 0.00582 0.03075 0.00000 -0.06803 84 2PX 0.00000 0.00000 0.00000 -0.00575 0.00000 85 2PY 0.01918 0.03987 0.02012 0.00000 -0.02068 86 2PZ -0.01407 -0.02937 -0.02456 0.00000 -0.04763 87 3S -0.05811 -0.04244 -0.10444 0.00000 0.01081 88 3PX 0.00000 0.00000 0.00000 -0.00431 0.00000 89 3PY 0.01272 0.04781 -0.00781 0.00000 -0.03706 90 3PZ -0.04798 -0.09178 -0.17781 0.00000 -0.05853 91 4S 0.10441 0.36172 0.97521 0.00000 8.07566 92 4PX 0.00000 0.00000 0.00000 0.20321 0.00000 93 4PY 0.43063 0.65875 -0.75411 0.00000 -4.26518 94 4PZ -0.44859 -0.42265 0.87272 0.00000 -2.34064 95 5S -10.83700 22.95566 20.99502 0.00000 -32.25950 96 5PX 0.00000 0.00000 0.00000 -1.05207 0.00000 97 5PY 0.72054 1.44828 -9.27790 0.00000 1.57856 98 5PZ 2.30694 -8.08335 10.44208 0.00000 4.85316 99 6D 0 -0.00561 -0.01018 0.01575 0.00000 -0.00628 100 6D+1 0.00000 0.00000 0.00000 0.00188 0.00000 101 6D-1 0.01020 0.01045 0.00745 0.00000 -0.00374 102 6D+2 -0.00675 -0.00779 0.00184 0.00000 0.01867 103 6D-2 0.00000 0.00000 0.00000 0.00393 0.00000 104 7D 0 0.03911 0.09319 0.08009 0.00000 -0.01451 105 7D+1 0.00000 0.00000 0.00000 0.12129 0.00000 106 7D-1 0.03393 -0.00146 -0.12894 0.00000 0.16130 107 7D+2 -0.02658 0.01514 -0.04553 0.00000 -0.19286 108 7D-2 0.00000 0.00000 0.00000 0.17243 0.00000 109 5 C 1S 0.00264 -0.01058 0.00000 0.00000 0.02741 110 2S 0.00425 -0.01456 0.00000 0.00000 0.04340 111 2PX 0.00000 0.00000 0.00000 0.02207 0.00000 112 2PY 0.00000 0.00000 0.03160 0.00000 0.00000 113 2PZ -0.01052 0.03848 0.00000 0.00000 0.08433 114 3S -0.01974 -0.05533 0.00000 0.00000 0.07663 115 3PX 0.00000 0.00000 0.00000 0.10095 0.00000 116 3PY 0.00000 0.00000 -0.11562 0.00000 0.00000 117 3PZ 0.04569 0.07266 0.00000 0.00000 0.19568 118 4S -0.30210 2.03808 0.00000 0.00000 -7.45396 119 4PX 0.00000 0.00000 0.00000 -0.22499 0.00000 120 4PY 0.00000 0.00000 -1.10405 0.00000 0.00000 121 4PZ -1.24853 -0.58901 0.00000 0.00000 5.37726 122 5S 1.89961 0.20303 0.00000 0.00000 19.82763 123 5PX 0.00000 0.00000 0.00000 1.62446 0.00000 124 5PY 0.00000 0.00000 -20.25664 0.00000 0.00000 125 5PZ 7.69458 5.40702 0.00000 0.00000 -5.25007 126 6D 0 0.00863 0.00196 0.00000 0.00000 0.01192 127 6D+1 0.00000 0.00000 0.00000 0.00169 0.00000 128 6D-1 0.00000 0.00000 0.01257 0.00000 0.00000 129 6D+2 0.01173 0.00941 0.00000 0.00000 -0.01078 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.06049 0.15446 0.00000 0.00000 -0.22613 132 7D+1 0.00000 0.00000 0.00000 0.16045 0.00000 133 7D-1 0.00000 0.00000 0.20391 0.00000 0.00000 134 7D+2 -0.00415 0.04956 0.00000 0.00000 0.08648 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S 0.00582 0.00246 -0.01852 0.00000 -0.04105 137 2S 0.01099 0.00582 -0.03075 0.00000 -0.06803 138 2PX 0.00000 0.00000 0.00000 -0.00575 0.00000 139 2PY -0.01918 -0.03987 0.02012 0.00000 0.02068 140 2PZ -0.01407 -0.02937 0.02456 0.00000 -0.04763 141 3S -0.05811 -0.04244 0.10444 0.00000 0.01081 142 3PX 0.00000 0.00000 0.00000 -0.00431 0.00000 143 3PY -0.01272 -0.04781 -0.00781 0.00000 0.03706 144 3PZ -0.04798 -0.09178 0.17781 0.00000 -0.05853 145 4S 0.10441 0.36172 -0.97521 0.00000 8.07566 146 4PX 0.00000 0.00000 0.00000 0.20321 0.00000 147 4PY -0.43063 -0.65875 -0.75411 0.00000 4.26518 148 4PZ -0.44859 -0.42265 -0.87272 0.00000 -2.34064 149 5S -10.83700 22.95566 -20.99502 0.00000 -32.25950 150 5PX 0.00000 0.00000 0.00000 -1.05207 0.00000 151 5PY -0.72054 -1.44828 -9.27790 0.00000 -1.57856 152 5PZ 2.30694 -8.08335 -10.44208 0.00000 4.85316 153 6D 0 -0.00561 -0.01018 -0.01575 0.00000 -0.00628 154 6D+1 0.00000 0.00000 0.00000 0.00188 0.00000 155 6D-1 -0.01020 -0.01045 0.00745 0.00000 0.00374 156 6D+2 -0.00675 -0.00779 -0.00184 0.00000 0.01867 157 6D-2 0.00000 0.00000 0.00000 -0.00393 0.00000 158 7D 0 0.03911 0.09319 -0.08009 0.00000 -0.01451 159 7D+1 0.00000 0.00000 0.00000 0.12129 0.00000 160 7D-1 -0.03393 0.00146 -0.12894 0.00000 -0.16130 161 7D+2 -0.02658 0.01514 0.04553 0.00000 -0.19286 162 7D-2 0.00000 0.00000 0.00000 -0.17243 0.00000 163 7 H 1S 0.04387 0.04040 -0.01824 0.00000 -0.06959 164 2S 0.34080 0.39084 -0.21234 0.00000 -0.42901 165 3S -1.29254 -1.67305 0.19081 0.00000 3.39996 166 4PX 0.00000 0.00000 0.00000 0.00692 0.00000 167 4PY 0.00248 0.00975 -0.02072 0.00000 -0.03279 168 4PZ -0.00309 -0.01897 -0.02470 0.00000 0.00984 169 8 Mg 1S 0.00705 -0.00697 0.00000 0.00000 -0.00185 170 2S 0.01818 -0.01757 0.00000 0.00000 -0.00485 171 3S -0.03780 0.03182 0.00000 0.00000 0.01112 172 4S -0.14510 0.16714 0.00000 0.00000 0.03556 173 5S -0.36879 -1.12227 0.00000 0.00000 -0.90293 174 6S -1.37562 -3.64938 0.00000 0.00000 -1.52779 175 7S -0.11212 -0.80451 0.00000 0.00000 0.19394 176 7PX 0.00000 0.00000 0.00000 0.31617 0.00000 177 7PY 0.00000 0.00000 0.10961 0.00000 0.00000 178 7PZ 1.01311 0.01582 0.00000 0.00000 0.23960 179 8PX 0.00000 0.00000 0.00000 0.02561 0.00000 180 8PY 0.00000 0.00000 0.01585 0.00000 0.00000 181 8PZ 0.01410 -0.00683 0.00000 0.00000 0.01937 182 9PX 0.00000 0.00000 0.00000 0.03983 0.00000 183 9PY 0.00000 0.00000 0.02094 0.00000 0.00000 184 9PZ 0.03176 -0.01752 0.00000 0.00000 0.03149 185 10PX 0.00000 0.00000 0.00000 -0.11953 0.00000 186 10PY 0.00000 0.00000 -0.01217 0.00000 0.00000 187 10PZ -0.40839 0.21569 0.00000 0.00000 -0.09165 188 11PX 0.00000 0.00000 0.00000 -0.38631 0.00000 189 11PY 0.00000 0.00000 -0.09954 0.00000 0.00000 190 11PZ 2.26558 -1.65401 0.00000 0.00000 2.16486 191 12PX 0.00000 0.00000 0.00000 -0.26037 0.00000 192 12PY 0.00000 0.00000 1.21926 0.00000 0.00000 193 12PZ 0.18942 0.48575 0.00000 0.00000 -2.18460 194 13D 0 -0.04573 0.07500 0.00000 0.00000 0.02480 195 13D+1 0.00000 0.00000 0.00000 0.03824 0.00000 196 13D-1 0.00000 0.00000 -0.04853 0.00000 0.00000 197 13D+2 0.00456 -0.01574 0.00000 0.00000 -0.00156 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 3.02514 -1.35638 0.00000 0.00000 -0.73081 200 14D+1 0.00000 0.00000 0.00000 -0.26763 0.00000 201 14D-1 0.00000 0.00000 -0.30919 0.00000 0.00000 202 14D+2 -0.20075 -0.29425 0.00000 0.00000 0.08421 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00461 -0.00413 0.00000 0.00000 0.00041 205 2S 0.01498 -0.01346 0.00000 0.00000 0.00133 206 3S -0.04108 0.03747 0.00000 0.00000 -0.00365 207 4S -0.04898 0.04137 0.00000 0.00000 -0.00438 208 5S 0.09752 -0.07867 0.00000 0.00000 0.00876 209 6S 0.15420 -0.15743 0.00000 0.00000 0.01373 210 7S -0.35489 0.45714 0.00000 0.00000 -0.03628 211 8S -1.81888 0.69217 0.00000 0.00000 0.05777 212 9S -2.55134 2.24976 0.00000 0.00000 1.81591 213 9PX 0.00000 0.00000 0.00000 -0.59839 0.00000 214 9PY 0.00000 0.00000 -0.83148 0.00000 0.00000 215 9PZ 0.32301 -0.62672 0.00000 0.00000 -0.81356 216 10PX 0.00000 0.00000 0.00000 -0.00650 0.00000 217 10PY 0.00000 0.00000 -0.00659 0.00000 0.00000 218 10PZ 0.00154 0.00006 0.00000 0.00000 -0.00110 219 11PX 0.00000 0.00000 0.00000 -0.05484 0.00000 220 11PY 0.00000 0.00000 -0.05561 0.00000 0.00000 221 11PZ 0.01302 0.00060 0.00000 0.00000 -0.00927 222 12PX 0.00000 0.00000 0.00000 0.15419 0.00000 223 12PY 0.00000 0.00000 0.15628 0.00000 0.00000 224 12PZ -0.03676 -0.00213 0.00000 0.00000 0.02590 225 13PX 0.00000 0.00000 0.00000 -0.03472 0.00000 226 13PY 0.00000 0.00000 -0.03437 0.00000 0.00000 227 13PZ 0.01074 0.00616 0.00000 0.00000 -0.00376 228 14PX 0.00000 0.00000 0.00000 0.07016 0.00000 229 14PY 0.00000 0.00000 0.06939 0.00000 0.00000 230 14PZ -0.02365 -0.01458 0.00000 0.00000 0.00792 231 15PX 0.00000 0.00000 0.00000 -0.91573 0.00000 232 15PY 0.00000 0.00000 -0.92172 0.00000 0.00000 233 15PZ 0.21417 0.05350 0.00000 0.00000 -0.16210 234 16PX 0.00000 0.00000 0.00000 1.51386 0.00000 235 16PY 0.00000 0.00000 1.48964 0.00000 0.00000 236 16PZ 1.66898 -1.28247 0.00000 0.00000 0.47209 237 17D 0 0.07159 -0.08002 0.00000 0.00000 0.00844 238 17D+1 0.00000 0.00000 0.00000 0.05150 0.00000 239 17D-1 0.00000 0.00000 0.05197 0.00000 0.00000 240 17D+2 -0.02625 -0.02292 0.00000 0.00000 0.01026 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 -0.00213 0.00028 0.00000 0.00000 -0.00374 243 18D+1 0.00000 0.00000 0.00000 0.00044 0.00000 244 18D-1 0.00000 0.00000 -0.00017 0.00000 0.00000 245 18D+2 -0.00332 -0.00250 0.00000 0.00000 0.00216 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 -0.01700 0.02418 0.00000 0.00000 0.00488 248 19D+1 0.00000 0.00000 0.00000 -0.01732 0.00000 249 19D-1 0.00000 0.00000 -0.01625 0.00000 0.00000 250 19D+2 0.01453 0.01205 0.00000 0.00000 -0.00755 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 -0.61938 0.62356 0.00000 0.00000 -0.10536 253 20D+1 0.00000 0.00000 0.00000 -0.36099 0.00000 254 20D-1 0.00000 0.00000 -0.36096 0.00000 0.00000 255 20D+2 0.15921 0.14249 0.00000 0.00000 -0.06057 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.04387 0.04040 0.01824 0.00000 -0.06959 258 2S 0.34080 0.39084 0.21234 0.00000 -0.42901 259 3S -1.29254 -1.67305 -0.19081 0.00000 3.39996 260 4PX 0.00000 0.00000 0.00000 0.00692 0.00000 261 4PY -0.00248 -0.00975 -0.02072 0.00000 0.03279 262 4PZ -0.00309 -0.01897 0.02470 0.00000 0.00984 263 11 H 1S 0.04225 0.05327 -0.01124 0.00000 0.08949 264 2S 0.42953 0.43767 -0.12886 0.00000 0.71045 265 3S -1.66380 -0.85882 0.34670 0.00000 -3.63516 266 4PX 0.00000 0.00000 0.00000 0.01003 0.00000 267 4PY -0.00823 -0.00450 -0.00030 0.00000 -0.05304 268 4PZ 0.00329 -0.00946 -0.02081 0.00000 0.02813 269 12 H 1S 0.04616 0.05297 0.00000 0.00000 -0.07889 270 2S 0.36386 0.48516 0.00000 0.00000 -0.58796 271 3S -0.93796 -1.19332 0.00000 0.00000 3.37401 272 4PX 0.00000 0.00000 0.00000 0.01024 0.00000 273 4PY 0.00000 0.00000 0.03246 0.00000 0.00000 274 4PZ -0.00114 0.00241 0.00000 0.00000 -0.05734 275 13 H 1S 0.04225 0.05327 0.01124 0.00000 0.08949 276 2S 0.42953 0.43767 0.12886 0.00000 0.71045 277 3S -1.66380 -0.85882 -0.34670 0.00000 -3.63516 278 4PX 0.00000 0.00000 0.00000 0.01003 0.00000 279 4PY 0.00823 0.00450 -0.00030 0.00000 0.05304 280 4PZ 0.00329 -0.00946 0.02081 0.00000 0.02813 111 112 113 114 115 (B2)--V (A1)--V (B2)--V (B1)--V (A2)--V Eigenvalues -- 0.51138 0.51938 0.51997 0.52220 0.53264 1 1 C 1S -0.00386 -0.01294 0.02063 0.00000 0.00000 2 2S -0.00443 -0.02263 0.03281 0.00000 0.00000 3 2PX 0.00000 0.00000 0.00000 -0.08537 0.09430 4 2PY -0.03785 0.08784 -0.02089 0.00000 0.00000 5 2PZ -0.01991 -0.09786 0.02075 0.00000 0.00000 6 3S -0.09596 0.08413 -0.02115 0.00000 0.00000 7 3PX 0.00000 0.00000 0.00000 -0.32873 0.35760 8 3PY -0.18458 0.11725 0.11625 0.00000 0.00000 9 3PZ -0.09529 -0.18113 0.14765 0.00000 0.00000 10 4S 1.26223 -0.76994 0.85486 0.00000 0.00000 11 4PX 0.00000 0.00000 0.00000 0.62060 -0.71891 12 4PY -0.35866 -0.35668 -1.89420 0.00000 0.00000 13 4PZ 1.37622 0.38265 3.44136 0.00000 0.00000 14 5S -10.69894 -9.10570 7.02173 0.00000 0.00000 15 5PX 0.00000 0.00000 0.00000 -0.52488 0.43593 16 5PY 3.98097 -2.87364 10.70196 0.00000 0.00000 17 5PZ -8.88416 0.83295 -15.20871 0.00000 0.00000 18 6D 0 -0.00587 -0.00313 -0.00760 0.00000 0.00000 19 6D+1 0.00000 0.00000 0.00000 -0.00470 0.00190 20 6D-1 -0.00834 -0.00499 -0.00657 0.00000 0.00000 21 6D+2 0.01190 0.00195 -0.02280 0.00000 0.00000 22 6D-2 0.00000 0.00000 0.00000 -0.00393 0.00657 23 7D 0 -0.06694 -0.03097 0.28147 0.00000 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.00129 0.15324 25 7D-1 0.06073 0.17887 -0.15454 0.00000 0.00000 26 7D+2 0.09788 -0.04883 0.05129 0.00000 0.00000 27 7D-2 0.00000 0.00000 0.00000 -0.17795 0.10505 28 2 C 1S 0.00000 0.02572 0.00000 0.00000 0.00000 29 2S 0.00000 0.03985 0.00000 0.00000 0.00000 30 2PX 0.00000 0.00000 0.00000 -0.11311 0.00000 31 2PY 0.04651 0.00000 -0.18919 0.00000 0.00000 32 2PZ 0.00000 0.00789 0.00000 0.00000 0.00000 33 3S 0.00000 0.02652 0.00000 0.00000 0.00000 34 3PX 0.00000 0.00000 0.00000 -0.43611 0.00000 35 3PY 0.08194 0.00000 -0.40965 0.00000 0.00000 36 3PZ 0.00000 0.30018 0.00000 0.00000 0.00000 37 4S 0.00000 0.36958 0.00000 0.00000 0.00000 38 4PX 0.00000 0.00000 0.00000 0.76362 0.00000 39 4PY -0.98102 0.00000 -2.49318 0.00000 0.00000 40 4PZ 0.00000 -0.11676 0.00000 0.00000 0.00000 41 5S 0.00000 22.73265 0.00000 0.00000 0.00000 42 5PX 0.00000 0.00000 0.00000 -0.25986 0.00000 43 5PY 7.61592 0.00000 18.24548 0.00000 0.00000 44 5PZ 0.00000 3.50477 0.00000 0.00000 0.00000 45 6D 0 0.00000 0.01904 0.00000 0.00000 0.00000 46 6D+1 0.00000 0.00000 0.00000 -0.00733 0.00000 47 6D-1 0.00171 0.00000 0.00211 0.00000 0.00000 48 6D+2 0.00000 -0.01793 0.00000 0.00000 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00341 50 7D 0 0.00000 -0.26160 0.00000 0.00000 0.00000 51 7D+1 0.00000 0.00000 0.00000 -0.24164 0.00000 52 7D-1 0.03720 0.00000 -0.04827 0.00000 0.00000 53 7D+2 0.00000 -0.33974 0.00000 0.00000 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 -0.14741 55 3 C 1S 0.00386 -0.01294 -0.02063 0.00000 0.00000 56 2S 0.00443 -0.02263 -0.03281 0.00000 0.00000 57 2PX 0.00000 0.00000 0.00000 -0.08537 -0.09430 58 2PY -0.03785 -0.08784 -0.02089 0.00000 0.00000 59 2PZ 0.01991 -0.09786 -0.02075 0.00000 0.00000 60 3S 0.09596 0.08413 0.02115 0.00000 0.00000 61 3PX 0.00000 0.00000 0.00000 -0.32873 -0.35760 62 3PY -0.18458 -0.11725 0.11625 0.00000 0.00000 63 3PZ 0.09529 -0.18113 -0.14765 0.00000 0.00000 64 4S -1.26223 -0.76994 -0.85486 0.00000 0.00000 65 4PX 0.00000 0.00000 0.00000 0.62060 0.71891 66 4PY -0.35866 0.35668 -1.89420 0.00000 0.00000 67 4PZ -1.37622 0.38265 -3.44136 0.00000 0.00000 68 5S 10.69894 -9.10570 -7.02173 0.00000 0.00000 69 5PX 0.00000 0.00000 0.00000 -0.52488 -0.43593 70 5PY 3.98097 2.87364 10.70196 0.00000 0.00000 71 5PZ 8.88416 0.83295 15.20871 0.00000 0.00000 72 6D 0 0.00587 -0.00313 0.00760 0.00000 0.00000 73 6D+1 0.00000 0.00000 0.00000 -0.00470 -0.00190 74 6D-1 -0.00834 0.00499 -0.00657 0.00000 0.00000 75 6D+2 -0.01190 0.00195 0.02280 0.00000 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00393 0.00657 77 7D 0 0.06694 -0.03097 -0.28147 0.00000 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00129 -0.15324 79 7D-1 0.06073 -0.17887 -0.15454 0.00000 0.00000 80 7D+2 -0.09788 -0.04883 -0.05129 0.00000 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.17795 0.10505 82 4 C 1S 0.00005 -0.01584 0.01544 0.00000 0.00000 83 2S -0.00248 -0.02651 0.02475 0.00000 0.00000 84 2PX 0.00000 0.00000 0.00000 -0.00478 -0.10029 85 2PY -0.00076 -0.00938 0.02279 0.00000 0.00000 86 2PZ -0.08257 0.03355 0.01181 0.00000 0.00000 87 3S 0.13599 0.06107 -0.02750 0.00000 0.00000 88 3PX 0.00000 0.00000 0.00000 -0.01733 -0.38167 89 3PY -0.08402 0.09097 -0.00424 0.00000 0.00000 90 3PZ -0.22509 0.13911 -0.08969 0.00000 0.00000 91 4S -1.45645 -0.11163 0.34050 0.00000 0.00000 92 4PX 0.00000 0.00000 0.00000 -0.15666 0.76051 93 4PY 1.49397 0.19356 1.90213 0.00000 0.00000 94 4PZ -2.10598 -0.88608 -3.71648 0.00000 0.00000 95 5S -2.44568 -5.78824 6.01974 0.00000 0.00000 96 5PX 0.00000 0.00000 0.00000 0.12310 -0.45617 97 5PY -4.99814 -0.05720 -10.43429 0.00000 0.00000 98 5PZ 11.21773 1.53197 16.27809 0.00000 0.00000 99 6D 0 -0.00323 -0.00856 -0.00635 0.00000 0.00000 100 6D+1 0.00000 0.00000 0.00000 -0.00151 0.00215 101 6D-1 -0.00137 -0.01047 -0.00349 0.00000 0.00000 102 6D+2 -0.01640 0.00636 -0.01433 0.00000 0.00000 103 6D-2 0.00000 0.00000 0.00000 -0.00131 0.00608 104 7D 0 0.12723 -0.08185 0.23442 0.00000 0.00000 105 7D+1 0.00000 0.00000 0.00000 0.08274 0.14638 106 7D-1 0.09361 0.13764 -0.10228 0.00000 0.00000 107 7D+2 -0.03618 0.02884 0.13221 0.00000 0.00000 108 7D-2 0.00000 0.00000 0.00000 -0.00460 0.11270 109 5 C 1S 0.00000 0.00909 0.00000 0.00000 0.00000 110 2S 0.00000 0.01449 0.00000 0.00000 0.00000 111 2PX 0.00000 0.00000 0.00000 0.04062 0.00000 112 2PY 0.10769 0.00000 0.11243 0.00000 0.00000 113 2PZ 0.00000 0.05005 0.00000 0.00000 0.00000 114 3S 0.00000 -0.07417 0.00000 0.00000 0.00000 115 3PX 0.00000 0.00000 0.00000 0.11254 0.00000 116 3PY 0.25384 0.00000 0.21942 0.00000 0.00000 117 3PZ 0.00000 -0.00569 0.00000 0.00000 0.00000 118 4S 0.00000 2.20178 0.00000 0.00000 0.00000 119 4PX 0.00000 0.00000 0.00000 -0.05779 0.00000 120 4PY 3.25300 0.00000 3.56551 0.00000 0.00000 121 4PZ 0.00000 0.88087 0.00000 0.00000 0.00000 122 5S 0.00000 7.05732 0.00000 0.00000 0.00000 123 5PX 0.00000 0.00000 0.00000 0.90667 0.00000 124 5PY -10.36430 0.00000 -17.58709 0.00000 0.00000 125 5PZ 0.00000 -2.80600 0.00000 0.00000 0.00000 126 6D 0 0.00000 0.00614 0.00000 0.00000 0.00000 127 6D+1 0.00000 0.00000 0.00000 -0.00446 0.00000 128 6D-1 0.00887 0.00000 0.00332 0.00000 0.00000 129 6D+2 0.00000 -0.00571 0.00000 0.00000 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00334 131 7D 0 0.00000 -0.17125 0.00000 0.00000 0.00000 132 7D+1 0.00000 0.00000 0.00000 -0.04683 0.00000 133 7D-1 -0.16138 0.00000 -0.12547 0.00000 0.00000 134 7D+2 0.00000 -0.14793 0.00000 0.00000 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 -0.13167 136 6 C 1S -0.00005 -0.01584 -0.01544 0.00000 0.00000 137 2S 0.00248 -0.02651 -0.02475 0.00000 0.00000 138 2PX 0.00000 0.00000 0.00000 -0.00478 0.10029 139 2PY -0.00076 0.00938 0.02279 0.00000 0.00000 140 2PZ 0.08257 0.03355 -0.01181 0.00000 0.00000 141 3S -0.13599 0.06107 0.02750 0.00000 0.00000 142 3PX 0.00000 0.00000 0.00000 -0.01733 0.38167 143 3PY -0.08402 -0.09097 -0.00424 0.00000 0.00000 144 3PZ 0.22509 0.13911 0.08969 0.00000 0.00000 145 4S 1.45645 -0.11163 -0.34050 0.00000 0.00000 146 4PX 0.00000 0.00000 0.00000 -0.15666 -0.76051 147 4PY 1.49397 -0.19356 1.90213 0.00000 0.00000 148 4PZ 2.10598 -0.88608 3.71648 0.00000 0.00000 149 5S 2.44568 -5.78824 -6.01974 0.00000 0.00000 150 5PX 0.00000 0.00000 0.00000 0.12310 0.45617 151 5PY -4.99814 0.05720 -10.43429 0.00000 0.00000 152 5PZ -11.21773 1.53197 -16.27809 0.00000 0.00000 153 6D 0 0.00323 -0.00856 0.00635 0.00000 0.00000 154 6D+1 0.00000 0.00000 0.00000 -0.00151 -0.00215 155 6D-1 -0.00137 0.01047 -0.00349 0.00000 0.00000 156 6D+2 0.01640 0.00636 0.01433 0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00131 0.00608 158 7D 0 -0.12723 -0.08185 -0.23442 0.00000 0.00000 159 7D+1 0.00000 0.00000 0.00000 0.08274 -0.14638 160 7D-1 0.09361 -0.13764 -0.10228 0.00000 0.00000 161 7D+2 0.03618 0.02884 -0.13221 0.00000 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00460 0.11270 163 7 H 1S -0.06115 -0.04537 -0.04125 0.00000 0.00000 164 2S -0.69484 -0.53000 -0.52747 0.00000 0.00000 165 3S 1.41340 1.23664 0.76208 0.00000 0.00000 166 4PX 0.00000 0.00000 0.00000 -0.00490 -0.00817 167 4PY -0.00114 -0.02395 -0.02282 0.00000 0.00000 168 4PZ 0.02916 -0.00401 0.03215 0.00000 0.00000 169 8 Mg 1S 0.00000 -0.00165 0.00000 0.00000 0.00000 170 2S 0.00000 -0.00477 0.00000 0.00000 0.00000 171 3S 0.00000 0.01608 0.00000 0.00000 0.00000 172 4S 0.00000 0.00478 0.00000 0.00000 0.00000 173 5S 0.00000 0.45824 0.00000 0.00000 0.00000 174 6S 0.00000 -3.02296 0.00000 0.00000 0.00000 175 7S 0.00000 0.30269 0.00000 0.00000 0.00000 176 7PX 0.00000 0.00000 0.00000 0.13001 0.00000 177 7PY -0.31308 0.00000 -0.07592 0.00000 0.00000 178 7PZ 0.00000 0.20713 0.00000 0.00000 0.00000 179 8PX 0.00000 0.00000 0.00000 -0.01229 0.00000 180 8PY -0.03595 0.00000 -0.04133 0.00000 0.00000 181 8PZ 0.00000 0.02851 0.00000 0.00000 0.00000 182 9PX 0.00000 0.00000 0.00000 -0.01811 0.00000 183 9PY -0.05975 0.00000 -0.06496 0.00000 0.00000 184 9PZ 0.00000 0.04429 0.00000 0.00000 0.00000 185 10PX 0.00000 0.00000 0.00000 0.02821 0.00000 186 10PY 0.31089 0.00000 0.27006 0.00000 0.00000 187 10PZ 0.00000 -0.23101 0.00000 0.00000 0.00000 188 11PX 0.00000 0.00000 0.00000 0.33049 0.00000 189 11PY -0.63868 0.00000 -0.27848 0.00000 0.00000 190 11PZ 0.00000 1.84981 0.00000 0.00000 0.00000 191 12PX 0.00000 0.00000 0.00000 -0.71445 0.00000 192 12PY -0.15214 0.00000 -0.49464 0.00000 0.00000 193 12PZ 0.00000 -0.98772 0.00000 0.00000 0.00000 194 13D 0 0.00000 0.00219 0.00000 0.00000 0.00000 195 13D+1 0.00000 0.00000 0.00000 0.00887 0.00000 196 13D-1 -0.01911 0.00000 0.02306 0.00000 0.00000 197 13D+2 0.00000 0.00702 0.00000 0.00000 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.01769 199 14D 0 0.00000 -1.10092 0.00000 0.00000 0.00000 200 14D+1 0.00000 0.00000 0.00000 0.69022 0.00000 201 14D-1 0.21158 0.00000 0.59211 0.00000 0.00000 202 14D+2 0.00000 0.00936 0.00000 0.00000 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 -0.01080 204 9 Br 1S 0.00000 0.00018 0.00000 0.00000 0.00000 205 2S 0.00000 0.00059 0.00000 0.00000 0.00000 206 3S 0.00000 -0.00178 0.00000 0.00000 0.00000 207 4S 0.00000 -0.00124 0.00000 0.00000 0.00000 208 5S 0.00000 0.00148 0.00000 0.00000 0.00000 209 6S 0.00000 0.01120 0.00000 0.00000 0.00000 210 7S 0.00000 -0.05539 0.00000 0.00000 0.00000 211 8S 0.00000 0.39646 0.00000 0.00000 0.00000 212 9S 0.00000 1.15945 0.00000 0.00000 0.00000 213 9PX 0.00000 0.00000 0.00000 0.27564 0.00000 214 9PY 0.29404 0.00000 0.30651 0.00000 0.00000 215 9PZ 0.00000 -0.83033 0.00000 0.00000 0.00000 216 10PX 0.00000 0.00000 0.00000 0.00254 0.00000 217 10PY 0.00093 0.00000 0.00182 0.00000 0.00000 218 10PZ 0.00000 -0.00386 0.00000 0.00000 0.00000 219 11PX 0.00000 0.00000 0.00000 0.02150 0.00000 220 11PY 0.00786 0.00000 0.01536 0.00000 0.00000 221 11PZ 0.00000 -0.03253 0.00000 0.00000 0.00000 222 12PX 0.00000 0.00000 0.00000 -0.06091 0.00000 223 12PY -0.02206 0.00000 -0.04342 0.00000 0.00000 224 12PZ 0.00000 0.09130 0.00000 0.00000 0.00000 225 13PX 0.00000 0.00000 0.00000 0.01860 0.00000 226 13PY 0.00420 0.00000 0.01201 0.00000 0.00000 227 13PZ 0.00000 -0.01746 0.00000 0.00000 0.00000 228 14PX 0.00000 0.00000 0.00000 -0.03990 0.00000 229 14PY -0.00820 0.00000 -0.02553 0.00000 0.00000 230 14PZ 0.00000 0.03627 0.00000 0.00000 0.00000 231 15PX 0.00000 0.00000 0.00000 0.40478 0.00000 232 15PY 0.12901 0.00000 0.28138 0.00000 0.00000 233 15PZ 0.00000 -0.55997 0.00000 0.00000 0.00000 234 16PX 0.00000 0.00000 0.00000 -0.87812 0.00000 235 16PY -0.21005 0.00000 -0.58187 0.00000 0.00000 236 16PZ 0.00000 0.91898 0.00000 0.00000 0.00000 237 17D 0 0.00000 0.03335 0.00000 0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 -0.06535 0.00000 239 17D-1 0.00455 0.00000 -0.03960 0.00000 0.00000 240 17D+2 0.00000 0.00017 0.00000 0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 -0.00287 242 18D 0 0.00000 -0.00014 0.00000 0.00000 0.00000 243 18D+1 0.00000 0.00000 0.00000 -0.00249 0.00000 244 18D-1 0.00082 0.00000 -0.00163 0.00000 0.00000 245 18D+2 0.00000 -0.00008 0.00000 0.00000 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 -0.00106 247 19D 0 0.00000 -0.01096 0.00000 0.00000 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.02680 0.00000 249 19D-1 -0.00307 0.00000 0.01649 0.00000 0.00000 250 19D+2 0.00000 0.00009 0.00000 0.00000 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00301 252 20D 0 0.00000 -0.24970 0.00000 0.00000 0.00000 253 20D+1 0.00000 0.00000 0.00000 0.47174 0.00000 254 20D-1 -0.03210 0.00000 0.27960 0.00000 0.00000 255 20D+2 0.00000 -0.00145 0.00000 0.00000 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.01546 257 10 H 1S 0.06115 -0.04537 0.04125 0.00000 0.00000 258 2S 0.69484 -0.53000 0.52747 0.00000 0.00000 259 3S -1.41340 1.23664 -0.76208 0.00000 0.00000 260 4PX 0.00000 0.00000 0.00000 -0.00490 0.00817 261 4PY -0.00114 0.02395 -0.02282 0.00000 0.00000 262 4PZ -0.02916 -0.00401 -0.03215 0.00000 0.00000 263 11 H 1S 0.06625 -0.01366 -0.05917 0.00000 0.00000 264 2S 0.75621 -0.23013 -0.74924 0.00000 0.00000 265 3S -1.56143 0.45539 1.29988 0.00000 0.00000 266 4PX 0.00000 0.00000 0.00000 0.00366 0.00733 267 4PY -0.01807 0.01457 0.01776 0.00000 0.00000 268 4PZ 0.00693 -0.01766 -0.04876 0.00000 0.00000 269 12 H 1S 0.00000 0.09963 0.00000 0.00000 0.00000 270 2S 0.00000 1.26465 0.00000 0.00000 0.00000 271 3S 0.00000 -2.30217 0.00000 0.00000 0.00000 272 4PX 0.00000 0.00000 0.00000 0.00632 0.00000 273 4PY 0.00994 0.00000 -0.01929 0.00000 0.00000 274 4PZ 0.00000 0.06180 0.00000 0.00000 0.00000 275 13 H 1S -0.06625 -0.01366 0.05917 0.00000 0.00000 276 2S -0.75621 -0.23013 0.74924 0.00000 0.00000 277 3S 1.56143 0.45539 -1.29988 0.00000 0.00000 278 4PX 0.00000 0.00000 0.00000 0.00366 -0.00733 279 4PY -0.01807 -0.01457 0.01776 0.00000 0.00000 280 4PZ -0.00693 -0.01766 0.04876 0.00000 0.00000 116 117 118 119 120 (A1)--V (B2)--V (B1)--V (B1)--V (A1)--V Eigenvalues -- 0.54066 0.55504 0.56127 0.58169 0.60124 1 1 C 1S 0.00532 0.01122 0.00000 0.00000 -0.01818 2 2S 0.01232 0.01772 0.00000 0.00000 -0.03774 3 2PX 0.00000 0.00000 0.07169 -0.02138 0.00000 4 2PY -0.04147 0.03861 0.00000 0.00000 0.00080 5 2PZ 0.02095 -0.11576 0.00000 0.00000 0.06152 6 3S -0.15679 -0.02679 0.00000 0.00000 0.25129 7 3PX 0.00000 0.00000 0.29370 -0.07924 0.00000 8 3PY -0.09776 0.18046 0.00000 0.00000 0.11243 9 3PZ 0.05700 -0.21507 0.00000 0.00000 0.15902 10 4S 2.02921 1.25444 0.00000 0.00000 3.14434 11 4PX 0.00000 0.00000 -0.25857 0.23554 0.00000 12 4PY 0.98592 2.31926 0.00000 0.00000 1.87503 13 4PZ 0.57962 -3.45022 0.00000 0.00000 -0.24909 14 5S -17.93359 11.01754 0.00000 0.00000 -9.46921 15 5PX 0.00000 0.00000 -0.19919 -0.38699 0.00000 16 5PY -1.11059 -7.23160 0.00000 0.00000 -2.67872 17 5PZ -3.17268 19.51821 0.00000 0.00000 1.13701 18 6D 0 -0.00635 0.01197 0.00000 0.00000 0.01316 19 6D+1 0.00000 0.00000 -0.00164 0.00038 0.00000 20 6D-1 0.01004 0.00472 0.00000 0.00000 -0.01049 21 6D+2 0.00475 -0.00061 0.00000 0.00000 -0.00025 22 6D-2 0.00000 0.00000 -0.00178 -0.00194 0.00000 23 7D 0 0.08446 -0.00262 0.00000 0.00000 0.09081 24 7D+1 0.00000 0.00000 -0.05237 -0.14163 0.00000 25 7D-1 -0.11831 -0.27831 0.00000 0.00000 -0.28252 26 7D+2 0.05127 -0.02164 0.00000 0.00000 -0.25767 27 7D-2 0.00000 0.00000 -0.10945 0.03944 0.00000 28 2 C 1S 0.00496 0.00000 0.00000 0.00000 -0.02739 29 2S 0.01263 0.00000 0.00000 0.00000 -0.05374 30 2PX 0.00000 0.00000 0.07035 0.10871 0.00000 31 2PY 0.00000 0.02336 0.00000 0.00000 0.00000 32 2PZ -0.04524 0.00000 0.00000 0.00000 0.10921 33 3S -0.11120 0.00000 0.00000 0.00000 0.47627 34 3PX 0.00000 0.00000 0.29121 0.40617 0.00000 35 3PY 0.00000 0.10590 0.00000 0.00000 0.00000 36 3PZ -0.19866 0.00000 0.00000 0.00000 0.23065 37 4S -1.68934 0.00000 0.00000 0.00000 -5.89785 38 4PX 0.00000 0.00000 -0.31387 -1.10017 0.00000 39 4PY 0.00000 5.51908 0.00000 0.00000 0.00000 40 4PZ -0.64273 0.00000 0.00000 0.00000 -3.03915 41 5S 8.10335 0.00000 0.00000 0.00000 14.20487 42 5PX 0.00000 0.00000 0.24869 1.02800 0.00000 43 5PY 0.00000 -20.37284 0.00000 0.00000 0.00000 44 5PZ 1.75404 0.00000 0.00000 0.00000 0.72796 45 6D 0 0.00161 0.00000 0.00000 0.00000 -0.00217 46 6D+1 0.00000 0.00000 -0.00228 0.00657 0.00000 47 6D-1 0.00000 -0.02464 0.00000 0.00000 0.00000 48 6D+2 0.01005 0.00000 0.00000 0.00000 -0.01286 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00843 0.00000 0.00000 0.00000 0.13166 51 7D+1 0.00000 0.00000 -0.15104 0.04721 0.00000 52 7D-1 0.00000 0.23977 0.00000 0.00000 0.00000 53 7D+2 0.22396 0.00000 0.00000 0.00000 0.13352 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.00532 -0.01122 0.00000 0.00000 -0.01818 56 2S 0.01232 -0.01772 0.00000 0.00000 -0.03774 57 2PX 0.00000 0.00000 0.07169 -0.02138 0.00000 58 2PY 0.04147 0.03861 0.00000 0.00000 -0.00080 59 2PZ 0.02095 0.11576 0.00000 0.00000 0.06152 60 3S -0.15679 0.02679 0.00000 0.00000 0.25129 61 3PX 0.00000 0.00000 0.29370 -0.07924 0.00000 62 3PY 0.09776 0.18046 0.00000 0.00000 -0.11243 63 3PZ 0.05700 0.21507 0.00000 0.00000 0.15902 64 4S 2.02921 -1.25444 0.00000 0.00000 3.14434 65 4PX 0.00000 0.00000 -0.25857 0.23554 0.00000 66 4PY -0.98592 2.31926 0.00000 0.00000 -1.87503 67 4PZ 0.57962 3.45022 0.00000 0.00000 -0.24909 68 5S -17.93359 -11.01754 0.00000 0.00000 -9.46921 69 5PX 0.00000 0.00000 -0.19919 -0.38699 0.00000 70 5PY 1.11059 -7.23160 0.00000 0.00000 2.67872 71 5PZ -3.17268 -19.51821 0.00000 0.00000 1.13701 72 6D 0 -0.00635 -0.01197 0.00000 0.00000 0.01316 73 6D+1 0.00000 0.00000 -0.00164 0.00038 0.00000 74 6D-1 -0.01004 0.00472 0.00000 0.00000 0.01049 75 6D+2 0.00475 0.00061 0.00000 0.00000 -0.00025 76 6D-2 0.00000 0.00000 0.00178 0.00194 0.00000 77 7D 0 0.08446 0.00262 0.00000 0.00000 0.09081 78 7D+1 0.00000 0.00000 -0.05237 -0.14163 0.00000 79 7D-1 0.11831 -0.27831 0.00000 0.00000 0.28252 80 7D+2 0.05127 0.02164 0.00000 0.00000 -0.25767 81 7D-2 0.00000 0.00000 0.10945 -0.03944 0.00000 82 4 C 1S 0.01183 0.00812 0.00000 0.00000 0.00068 83 2S 0.02251 0.01220 0.00000 0.00000 -0.00384 84 2PX 0.00000 0.00000 0.08123 -0.10691 0.00000 85 2PY 0.04613 -0.06765 0.00000 0.00000 0.05618 86 2PZ 0.00660 0.10420 0.00000 0.00000 -0.05960 87 3S -0.09320 0.04067 0.00000 0.00000 0.10668 88 3PX 0.00000 0.00000 0.34862 -0.38817 0.00000 89 3PY 0.03708 -0.25698 0.00000 0.00000 0.03556 90 3PZ 0.05109 0.14357 0.00000 0.00000 -0.13089 91 4S -0.14767 0.10730 0.00000 0.00000 0.36900 92 4PX 0.00000 0.00000 -0.50691 0.96538 0.00000 93 4PY -0.92178 -1.72334 0.00000 0.00000 -0.87472 94 4PZ 0.88860 3.23747 0.00000 0.00000 1.55060 95 5S 23.81744 48.46234 0.00000 0.00000 2.91095 96 5PX 0.00000 0.00000 0.09661 -0.60528 0.00000 97 5PY -2.06653 1.95278 0.00000 0.00000 -1.27661 98 5PZ -3.70320 -12.22695 0.00000 0.00000 0.55656 99 6D 0 0.00209 0.00922 0.00000 0.00000 0.01829 100 6D+1 0.00000 0.00000 0.00040 0.00385 0.00000 101 6D-1 0.00954 0.01315 0.00000 0.00000 -0.01507 102 6D+2 -0.00220 -0.00785 0.00000 0.00000 0.00144 103 6D-2 0.00000 0.00000 -0.00148 0.00328 0.00000 104 7D 0 -0.14689 0.09142 0.00000 0.00000 -0.06910 105 7D+1 0.00000 0.00000 0.04600 0.07819 0.00000 106 7D-1 -0.06258 -0.20512 0.00000 0.00000 -0.08589 107 7D+2 -0.10323 -0.02341 0.00000 0.00000 -0.26233 108 7D-2 0.00000 0.00000 0.05505 0.07549 0.00000 109 5 C 1S -0.02746 0.00000 0.00000 0.00000 -0.03467 110 2S -0.04404 0.00000 0.00000 0.00000 -0.06335 111 2PX 0.00000 0.00000 0.12090 0.04645 0.00000 112 2PY 0.00000 -0.03967 0.00000 0.00000 0.00000 113 2PZ 0.02555 0.00000 0.00000 0.00000 -0.14220 114 3S 0.11888 0.00000 0.00000 0.00000 0.39573 115 3PX 0.00000 0.00000 0.45473 0.11165 0.00000 116 3PY 0.00000 -0.08197 0.00000 0.00000 0.00000 117 3PZ 0.03819 0.00000 0.00000 0.00000 -0.26148 118 4S 0.23246 0.00000 0.00000 0.00000 -3.41905 119 4PX 0.00000 0.00000 -0.48764 -0.52923 0.00000 120 4PY 0.00000 -4.37878 0.00000 0.00000 0.00000 121 4PZ 2.44314 0.00000 0.00000 0.00000 1.85028 122 5S -7.23877 0.00000 0.00000 0.00000 -7.41300 123 5PX 0.00000 0.00000 1.57025 0.89388 0.00000 124 5PY 0.00000 -4.89560 0.00000 0.00000 0.00000 125 5PZ 9.54810 0.00000 0.00000 0.00000 -8.28497 126 6D 0 0.00889 0.00000 0.00000 0.00000 -0.00785 127 6D+1 0.00000 0.00000 -0.00507 -0.00398 0.00000 128 6D-1 0.00000 -0.02057 0.00000 0.00000 0.00000 129 6D+2 0.00774 0.00000 0.00000 0.00000 -0.00409 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 -0.01594 0.00000 0.00000 0.00000 -0.12011 132 7D+1 0.00000 0.00000 -0.01286 0.08521 0.00000 133 7D-1 0.00000 0.06832 0.00000 0.00000 0.00000 134 7D+2 0.04406 0.00000 0.00000 0.00000 0.14570 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S 0.01183 -0.00812 0.00000 0.00000 0.00068 137 2S 0.02251 -0.01220 0.00000 0.00000 -0.00384 138 2PX 0.00000 0.00000 0.08123 -0.10691 0.00000 139 2PY -0.04613 -0.06765 0.00000 0.00000 -0.05618 140 2PZ 0.00660 -0.10420 0.00000 0.00000 -0.05960 141 3S -0.09320 -0.04067 0.00000 0.00000 0.10668 142 3PX 0.00000 0.00000 0.34862 -0.38817 0.00000 143 3PY -0.03708 -0.25698 0.00000 0.00000 -0.03556 144 3PZ 0.05109 -0.14357 0.00000 0.00000 -0.13089 145 4S -0.14767 -0.10730 0.00000 0.00000 0.36900 146 4PX 0.00000 0.00000 -0.50691 0.96538 0.00000 147 4PY 0.92178 -1.72334 0.00000 0.00000 0.87472 148 4PZ 0.88860 -3.23747 0.00000 0.00000 1.55060 149 5S 23.81744 -48.46234 0.00000 0.00000 2.91095 150 5PX 0.00000 0.00000 0.09661 -0.60528 0.00000 151 5PY 2.06653 1.95278 0.00000 0.00000 1.27661 152 5PZ -3.70320 12.22695 0.00000 0.00000 0.55656 153 6D 0 0.00209 -0.00922 0.00000 0.00000 0.01829 154 6D+1 0.00000 0.00000 0.00040 0.00385 0.00000 155 6D-1 -0.00954 0.01315 0.00000 0.00000 0.01507 156 6D+2 -0.00220 0.00785 0.00000 0.00000 0.00144 157 6D-2 0.00000 0.00000 0.00148 -0.00328 0.00000 158 7D 0 -0.14689 -0.09142 0.00000 0.00000 -0.06910 159 7D+1 0.00000 0.00000 0.04600 0.07819 0.00000 160 7D-1 0.06258 -0.20512 0.00000 0.00000 0.08589 161 7D+2 -0.10323 0.02341 0.00000 0.00000 -0.26233 162 7D-2 0.00000 0.00000 -0.05505 -0.07549 0.00000 163 7 H 1S 0.03754 -0.05139 0.00000 0.00000 -0.01325 164 2S 0.46795 -0.77482 0.00000 0.00000 -0.27960 165 3S -0.89628 1.73164 0.00000 0.00000 0.51584 166 4PX 0.00000 0.00000 0.00140 0.01067 0.00000 167 4PY 0.01841 -0.04826 0.00000 0.00000 -0.00580 168 4PZ 0.00086 -0.00791 0.00000 0.00000 0.01693 169 8 Mg 1S -0.00856 0.00000 0.00000 0.00000 -0.00078 170 2S -0.02368 0.00000 0.00000 0.00000 -0.00280 171 3S 0.06770 0.00000 0.00000 0.00000 0.01480 172 4S 0.09791 0.00000 0.00000 0.00000 -0.02413 173 5S 0.21694 0.00000 0.00000 0.00000 0.72576 174 6S -13.13796 0.00000 0.00000 0.00000 9.60165 175 7S 0.84207 0.00000 0.00000 0.00000 0.02947 176 7PX 0.00000 0.00000 -0.16741 0.35304 0.00000 177 7PY 0.00000 -0.32692 0.00000 0.00000 0.00000 178 7PZ 0.19814 0.00000 0.00000 0.00000 0.48155 179 8PX 0.00000 0.00000 0.00284 0.07147 0.00000 180 8PY 0.00000 -0.00501 0.00000 0.00000 0.00000 181 8PZ 0.03576 0.00000 0.00000 0.00000 0.00165 182 9PX 0.00000 0.00000 0.00693 0.13018 0.00000 183 9PY 0.00000 -0.00390 0.00000 0.00000 0.00000 184 9PZ 0.05710 0.00000 0.00000 0.00000 0.00032 185 10PX 0.00000 0.00000 -0.10051 -0.86475 0.00000 186 10PY 0.00000 -0.09891 0.00000 0.00000 0.00000 187 10PZ -0.38576 0.00000 0.00000 0.00000 0.14726 188 11PX 0.00000 0.00000 0.44126 1.37150 0.00000 189 11PY 0.00000 1.41507 0.00000 0.00000 0.00000 190 11PZ 3.78286 0.00000 0.00000 0.00000 -0.48269 191 12PX 0.00000 0.00000 -1.13174 -0.96446 0.00000 192 12PY 0.00000 1.31717 0.00000 0.00000 0.00000 193 12PZ 4.69613 0.00000 0.00000 0.00000 0.58949 194 13D 0 0.02963 0.00000 0.00000 0.00000 -0.05446 195 13D+1 0.00000 0.00000 0.06544 0.01371 0.00000 196 13D-1 0.00000 0.12171 0.00000 0.00000 0.00000 197 13D+2 0.03078 0.00000 0.00000 0.00000 -0.00072 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 -2.81462 0.00000 0.00000 0.00000 -0.56981 200 14D+1 0.00000 0.00000 0.61587 0.60586 0.00000 201 14D-1 0.00000 -0.53348 0.00000 0.00000 0.00000 202 14D+2 0.03535 0.00000 0.00000 0.00000 0.24024 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00099 0.00000 0.00000 0.00000 0.00081 205 2S 0.00333 0.00000 0.00000 0.00000 0.00267 206 3S -0.01006 0.00000 0.00000 0.00000 -0.00785 207 4S -0.00646 0.00000 0.00000 0.00000 -0.00626 208 5S 0.00672 0.00000 0.00000 0.00000 0.00899 209 6S 0.06571 0.00000 0.00000 0.00000 0.04603 210 7S -0.30886 0.00000 0.00000 0.00000 -0.20900 211 8S 1.38706 0.00000 0.00000 0.00000 0.59848 212 9S -1.65138 0.00000 0.00000 0.00000 -3.65691 213 9PX 0.00000 0.00000 0.68617 0.12426 0.00000 214 9PY 0.00000 0.17159 0.00000 0.00000 0.00000 215 9PZ -0.55629 0.00000 0.00000 0.00000 0.89978 216 10PX 0.00000 0.00000 0.00281 0.00155 0.00000 217 10PY 0.00000 0.00265 0.00000 0.00000 0.00000 218 10PZ -0.00685 0.00000 0.00000 0.00000 -0.00274 219 11PX 0.00000 0.00000 0.02380 0.01307 0.00000 220 11PY 0.00000 0.02240 0.00000 0.00000 0.00000 221 11PZ -0.05783 0.00000 0.00000 0.00000 -0.02316 222 12PX 0.00000 0.00000 -0.06748 -0.03699 0.00000 223 12PY 0.00000 -0.06327 0.00000 0.00000 0.00000 224 12PZ 0.16291 0.00000 0.00000 0.00000 0.06573 225 13PX 0.00000 0.00000 0.02005 0.00981 0.00000 226 13PY 0.00000 0.01601 0.00000 0.00000 0.00000 227 13PZ -0.03728 0.00000 0.00000 0.00000 -0.01960 228 14PX 0.00000 0.00000 -0.04294 -0.02092 0.00000 229 14PY 0.00000 -0.03311 0.00000 0.00000 0.00000 230 14PZ 0.07908 0.00000 0.00000 0.00000 0.04305 231 15PX 0.00000 0.00000 0.45581 0.25436 0.00000 232 15PY 0.00000 0.40237 0.00000 0.00000 0.00000 233 15PZ -1.04083 0.00000 0.00000 0.00000 -0.45722 234 16PX 0.00000 0.00000 -0.99471 -0.71063 0.00000 235 16PY 0.00000 -0.64332 0.00000 0.00000 0.00000 236 16PZ 1.50235 0.00000 0.00000 0.00000 0.67157 237 17D 0 0.05128 0.00000 0.00000 0.00000 0.00727 238 17D+1 0.00000 0.00000 -0.04851 -0.05227 0.00000 239 17D-1 0.00000 -0.03758 0.00000 0.00000 0.00000 240 17D+2 0.00363 0.00000 0.00000 0.00000 0.01486 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 -0.00079 0.00000 0.00000 0.00000 -0.00086 243 18D+1 0.00000 0.00000 -0.00055 -0.00427 0.00000 244 18D-1 0.00000 -0.00617 0.00000 0.00000 0.00000 245 18D+2 0.00090 0.00000 0.00000 0.00000 0.00479 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 -0.01624 0.00000 0.00000 0.00000 -0.00158 248 19D+1 0.00000 0.00000 0.01818 0.02667 0.00000 249 19D-1 0.00000 0.02537 0.00000 0.00000 0.00000 250 19D+2 -0.00300 0.00000 0.00000 0.00000 -0.01480 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 -0.38351 0.00000 0.00000 0.00000 -0.03712 253 20D+1 0.00000 0.00000 0.36585 0.40548 0.00000 254 20D-1 0.00000 0.22665 0.00000 0.00000 0.00000 255 20D+2 -0.02125 0.00000 0.00000 0.00000 -0.08663 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.03754 0.05139 0.00000 0.00000 -0.01325 258 2S 0.46795 0.77482 0.00000 0.00000 -0.27960 259 3S -0.89628 -1.73164 0.00000 0.00000 0.51584 260 4PX 0.00000 0.00000 0.00140 0.01067 0.00000 261 4PY -0.01841 -0.04826 0.00000 0.00000 0.00580 262 4PZ 0.00086 0.00791 0.00000 0.00000 0.01693 263 11 H 1S 0.00707 -0.01464 0.00000 0.00000 -0.00130 264 2S 0.16749 -0.30040 0.00000 0.00000 0.18529 265 3S 0.69924 0.37418 0.00000 0.00000 0.66032 266 4PX 0.00000 0.00000 0.00831 0.00390 0.00000 267 4PY -0.01134 0.04001 0.00000 0.00000 -0.02119 268 4PZ 0.00657 0.01139 0.00000 0.00000 -0.01010 269 12 H 1S -0.01636 0.00000 0.00000 0.00000 0.01440 270 2S -0.20103 0.00000 0.00000 0.00000 0.01174 271 3S 0.19702 0.00000 0.00000 0.00000 -1.39917 272 4PX 0.00000 0.00000 0.01034 -0.01192 0.00000 273 4PY 0.00000 0.04456 0.00000 0.00000 0.00000 274 4PZ 0.00147 0.00000 0.00000 0.00000 -0.00234 275 13 H 1S 0.00707 0.01464 0.00000 0.00000 -0.00130 276 2S 0.16749 0.30040 0.00000 0.00000 0.18529 277 3S 0.69924 -0.37418 0.00000 0.00000 0.66032 278 4PX 0.00000 0.00000 0.00831 0.00390 0.00000 279 4PY 0.01134 0.04001 0.00000 0.00000 0.02119 280 4PZ 0.00657 -0.01139 0.00000 0.00000 -0.01010 121 122 123 124 125 (A2)--V (B1)--V (B2)--V (A1)--V (A1)--V Eigenvalues -- 0.60396 0.61144 0.61994 0.62884 0.64677 1 1 C 1S 0.00000 0.00000 0.00418 -0.01592 0.00713 2 2S 0.00000 0.00000 0.00893 -0.03139 0.01443 3 2PX -0.12280 0.05683 0.00000 0.00000 0.00000 4 2PY 0.00000 0.00000 -0.05121 0.06744 -0.03423 5 2PZ 0.00000 0.00000 -0.08856 0.03459 0.13776 6 3S 0.00000 0.00000 -0.17759 0.23328 -0.09912 7 3PX -0.45065 0.20303 0.00000 0.00000 0.00000 8 3PY 0.00000 0.00000 -0.15717 0.11394 -0.03837 9 3PZ 0.00000 0.00000 -0.23320 0.07832 0.10630 10 4S 0.00000 0.00000 2.90938 -2.28316 -2.77730 11 4PX 1.38912 -0.78458 0.00000 0.00000 0.00000 12 4PY 0.00000 0.00000 0.68162 -2.02013 1.07871 13 4PZ 0.00000 0.00000 1.96217 0.37252 -4.97729 14 5S 0.00000 0.00000 -0.35094 8.34529 3.14723 15 5PX -1.24776 0.63879 0.00000 0.00000 0.00000 16 5PY 0.00000 0.00000 4.99541 0.99860 -5.76654 17 5PZ 0.00000 0.00000 -4.62266 -0.72911 7.39664 18 6D 0 0.00000 0.00000 -0.00395 0.00193 0.00210 19 6D+1 -0.00343 0.00115 0.00000 0.00000 0.00000 20 6D-1 0.00000 0.00000 -0.01092 -0.00707 0.00852 21 6D+2 0.00000 0.00000 0.00707 -0.00441 0.00237 22 6D-2 -0.00658 0.00504 0.00000 0.00000 0.00000 23 7D 0 0.00000 0.00000 0.13327 0.12031 -0.51797 24 7D+1 0.07185 0.03570 0.00000 0.00000 0.00000 25 7D-1 0.00000 0.00000 0.19601 0.14571 -0.05084 26 7D+2 0.00000 0.00000 -0.10026 0.05446 -0.19348 27 7D-2 -0.05560 -0.05061 0.00000 0.00000 0.00000 28 2 C 1S 0.00000 0.00000 0.00000 -0.00786 0.00944 29 2S 0.00000 0.00000 0.00000 -0.01664 0.02146 30 2PX 0.00000 -0.10911 0.00000 0.00000 0.00000 31 2PY 0.00000 0.00000 -0.01084 0.00000 0.00000 32 2PZ 0.00000 0.00000 0.00000 -0.07868 0.08360 33 3S 0.00000 0.00000 0.00000 -0.01689 -0.17800 34 3PX 0.00000 -0.39356 0.00000 0.00000 0.00000 35 3PY 0.00000 0.00000 -0.09019 0.00000 0.00000 36 3PZ 0.00000 0.00000 0.00000 -0.17017 0.09299 37 4S 0.00000 0.00000 0.00000 4.84185 -3.60537 38 4PX 0.00000 1.27150 0.00000 0.00000 0.00000 39 4PY 0.00000 0.00000 0.40821 0.00000 0.00000 40 4PZ 0.00000 0.00000 0.00000 2.02964 -1.45870 41 5S 0.00000 0.00000 0.00000 -6.31078 23.45804 42 5PX 0.00000 -1.11911 0.00000 0.00000 0.00000 43 5PY 0.00000 0.00000 4.17241 0.00000 0.00000 44 5PZ 0.00000 0.00000 0.00000 0.86350 -0.30557 45 6D 0 0.00000 0.00000 0.00000 -0.01966 0.01298 46 6D+1 0.00000 -0.00696 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00000 -0.00197 0.00000 0.00000 48 6D+2 0.00000 0.00000 0.00000 -0.00878 0.00907 49 6D-2 -0.00015 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00000 0.00000 0.00000 0.21581 0.21916 51 7D+1 0.00000 0.06204 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.00000 0.12673 0.00000 0.00000 53 7D+2 0.00000 0.00000 0.00000 -0.23122 0.31434 54 7D-2 0.15792 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.00000 0.00000 -0.00418 -0.01592 0.00713 56 2S 0.00000 0.00000 -0.00893 -0.03139 0.01443 57 2PX 0.12280 0.05683 0.00000 0.00000 0.00000 58 2PY 0.00000 0.00000 -0.05121 -0.06744 0.03423 59 2PZ 0.00000 0.00000 0.08856 0.03459 0.13776 60 3S 0.00000 0.00000 0.17759 0.23328 -0.09912 61 3PX 0.45065 0.20303 0.00000 0.00000 0.00000 62 3PY 0.00000 0.00000 -0.15717 -0.11394 0.03837 63 3PZ 0.00000 0.00000 0.23320 0.07832 0.10630 64 4S 0.00000 0.00000 -2.90938 -2.28316 -2.77730 65 4PX -1.38912 -0.78458 0.00000 0.00000 0.00000 66 4PY 0.00000 0.00000 0.68162 2.02013 -1.07871 67 4PZ 0.00000 0.00000 -1.96217 0.37252 -4.97729 68 5S 0.00000 0.00000 0.35094 8.34529 3.14723 69 5PX 1.24776 0.63879 0.00000 0.00000 0.00000 70 5PY 0.00000 0.00000 4.99541 -0.99860 5.76654 71 5PZ 0.00000 0.00000 4.62266 -0.72911 7.39664 72 6D 0 0.00000 0.00000 0.00395 0.00193 0.00210 73 6D+1 0.00343 0.00115 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.00000 -0.01092 0.00707 -0.00852 75 6D+2 0.00000 0.00000 -0.00707 -0.00441 0.00237 76 6D-2 -0.00658 -0.00504 0.00000 0.00000 0.00000 77 7D 0 0.00000 0.00000 -0.13327 0.12031 -0.51797 78 7D+1 -0.07185 0.03570 0.00000 0.00000 0.00000 79 7D-1 0.00000 0.00000 0.19601 -0.14571 0.05084 80 7D+2 0.00000 0.00000 0.10026 0.05446 -0.19348 81 7D-2 -0.05560 0.05061 0.00000 0.00000 0.00000 82 4 C 1S 0.00000 0.00000 0.00918 -0.01026 0.00412 83 2S 0.00000 0.00000 0.01694 -0.02182 0.00562 84 2PX -0.11913 0.00267 0.00000 0.00000 0.00000 85 2PY 0.00000 0.00000 0.10219 -0.14525 -0.02138 86 2PZ 0.00000 0.00000 0.02820 0.03310 0.13036 87 3S 0.00000 0.00000 -0.19845 0.21221 -0.05680 88 3PX -0.44451 0.01430 0.00000 0.00000 0.00000 89 3PY 0.00000 0.00000 0.29254 -0.33099 -0.01788 90 3PZ 0.00000 0.00000 0.01526 -0.00697 0.13587 91 4S 0.00000 0.00000 3.51646 -1.98174 4.35114 92 4PX 1.34918 0.12076 0.00000 0.00000 0.00000 93 4PY 0.00000 0.00000 -1.66234 1.85562 0.64680 94 4PZ 0.00000 0.00000 -1.02981 -0.50935 -4.79290 95 5S 0.00000 0.00000 20.26200 -13.35201 -5.84586 96 5PX -1.22498 0.32219 0.00000 0.00000 0.00000 97 5PY 0.00000 0.00000 -8.59002 3.04605 -5.29813 98 5PZ 0.00000 0.00000 8.43318 3.79136 5.97583 99 6D 0 0.00000 0.00000 0.01139 0.00828 0.00122 100 6D+1 0.00520 -0.00051 0.00000 0.00000 0.00000 101 6D-1 0.00000 0.00000 -0.00650 -0.00404 -0.01142 102 6D+2 0.00000 0.00000 0.01369 -0.00665 -0.00120 103 6D-2 0.00472 -0.00098 0.00000 0.00000 0.00000 104 7D 0 0.00000 0.00000 0.17237 0.12384 0.40504 105 7D+1 -0.05247 -0.03269 0.00000 0.00000 0.00000 106 7D-1 0.00000 0.00000 0.08529 0.29504 0.13460 107 7D+2 0.00000 0.00000 -0.13796 -0.03783 0.08541 108 7D-2 0.04403 -0.08657 0.00000 0.00000 0.00000 109 5 C 1S 0.00000 0.00000 0.00000 0.01063 0.00787 110 2S 0.00000 0.00000 0.00000 0.01437 0.01074 111 2PX 0.00000 -0.00972 0.00000 0.00000 0.00000 112 2PY 0.00000 0.00000 0.05965 0.00000 0.00000 113 2PZ 0.00000 0.00000 0.00000 0.05337 0.01241 114 3S 0.00000 0.00000 0.00000 -0.04530 -0.00131 115 3PX 0.00000 -0.04742 0.00000 0.00000 0.00000 116 3PY 0.00000 0.00000 -0.00920 0.00000 0.00000 117 3PZ 0.00000 0.00000 0.00000 -0.09510 -0.12571 118 4S 0.00000 0.00000 0.00000 4.30331 2.31372 119 4PX 0.00000 -0.26467 0.00000 0.00000 0.00000 120 4PY 0.00000 0.00000 -0.97847 0.00000 0.00000 121 4PZ 0.00000 0.00000 0.00000 -0.87771 0.24829 122 5S 0.00000 0.00000 0.00000 28.36672 -19.14337 123 5PX 0.00000 -0.82261 0.00000 0.00000 0.00000 124 5PY 0.00000 0.00000 -17.47919 0.00000 0.00000 125 5PZ 0.00000 0.00000 0.00000 -5.57124 0.20147 126 6D 0 0.00000 0.00000 0.00000 -0.00512 -0.00699 127 6D+1 0.00000 -0.00028 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00000 0.01288 0.00000 0.00000 129 6D+2 0.00000 0.00000 0.00000 -0.01851 -0.01029 130 6D-2 0.00137 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00000 0.00000 0.00000 0.15911 -0.11660 132 7D+1 0.00000 -0.15553 0.00000 0.00000 0.00000 133 7D-1 0.00000 0.00000 0.29966 0.00000 0.00000 134 7D+2 0.00000 0.00000 0.00000 -0.40612 -0.15237 135 7D-2 -0.08309 0.00000 0.00000 0.00000 0.00000 136 6 C 1S 0.00000 0.00000 -0.00918 -0.01026 0.00412 137 2S 0.00000 0.00000 -0.01694 -0.02182 0.00562 138 2PX 0.11913 0.00267 0.00000 0.00000 0.00000 139 2PY 0.00000 0.00000 0.10219 0.14525 0.02138 140 2PZ 0.00000 0.00000 -0.02820 0.03310 0.13036 141 3S 0.00000 0.00000 0.19845 0.21221 -0.05680 142 3PX 0.44451 0.01430 0.00000 0.00000 0.00000 143 3PY 0.00000 0.00000 0.29254 0.33099 0.01788 144 3PZ 0.00000 0.00000 -0.01526 -0.00697 0.13587 145 4S 0.00000 0.00000 -3.51646 -1.98174 4.35114 146 4PX -1.34918 0.12076 0.00000 0.00000 0.00000 147 4PY 0.00000 0.00000 -1.66234 -1.85562 -0.64680 148 4PZ 0.00000 0.00000 1.02981 -0.50935 -4.79290 149 5S 0.00000 0.00000 -20.26200 -13.35201 -5.84586 150 5PX 1.22498 0.32219 0.00000 0.00000 0.00000 151 5PY 0.00000 0.00000 -8.59002 -3.04605 5.29813 152 5PZ 0.00000 0.00000 -8.43318 3.79136 5.97583 153 6D 0 0.00000 0.00000 -0.01139 0.00828 0.00122 154 6D+1 -0.00520 -0.00051 0.00000 0.00000 0.00000 155 6D-1 0.00000 0.00000 -0.00650 0.00404 0.01142 156 6D+2 0.00000 0.00000 -0.01369 -0.00665 -0.00120 157 6D-2 0.00472 0.00098 0.00000 0.00000 0.00000 158 7D 0 0.00000 0.00000 -0.17237 0.12384 0.40504 159 7D+1 0.05247 -0.03269 0.00000 0.00000 0.00000 160 7D-1 0.00000 0.00000 0.08529 -0.29504 -0.13460 161 7D+2 0.00000 0.00000 0.13796 -0.03783 0.08541 162 7D-2 0.04403 0.08657 0.00000 0.00000 0.00000 163 7 H 1S 0.00000 0.00000 0.04637 0.03756 -0.01330 164 2S 0.00000 0.00000 0.63121 0.15231 -0.10337 165 3S 0.00000 0.00000 -2.16490 -1.71235 1.13178 166 4PX -0.01536 0.00395 0.00000 0.00000 0.00000 167 4PY 0.00000 0.00000 0.01983 -0.03091 -0.00581 168 4PZ 0.00000 0.00000 -0.01404 0.00678 -0.01408 169 8 Mg 1S 0.00000 0.00000 0.00000 -0.00254 0.00519 170 2S 0.00000 0.00000 0.00000 -0.00650 0.01434 171 3S 0.00000 0.00000 0.00000 0.01268 -0.04078 172 4S 0.00000 0.00000 0.00000 0.06299 -0.06453 173 5S 0.00000 0.00000 0.00000 -0.03622 -0.11537 174 6S 0.00000 0.00000 0.00000 -3.62178 2.87656 175 7S 0.00000 0.00000 0.00000 0.28584 0.04347 176 7PX 0.00000 0.35490 0.00000 0.00000 0.00000 177 7PY 0.00000 0.00000 0.21223 0.00000 0.00000 178 7PZ 0.00000 0.00000 0.00000 -0.06774 -0.05637 179 8PX 0.00000 0.14851 0.00000 0.00000 0.00000 180 8PY 0.00000 0.00000 0.05726 0.00000 0.00000 181 8PZ 0.00000 0.00000 0.00000 0.03023 0.01074 182 9PX 0.00000 0.26587 0.00000 0.00000 0.00000 183 9PY 0.00000 0.00000 0.10354 0.00000 0.00000 184 9PZ 0.00000 0.00000 0.00000 0.04609 0.00435 185 10PX 0.00000 -1.73380 0.00000 0.00000 0.00000 186 10PY 0.00000 0.00000 -0.72532 0.00000 0.00000 187 10PZ 0.00000 0.00000 0.00000 -0.31577 0.22418 188 11PX 0.00000 2.33620 0.00000 0.00000 0.00000 189 11PY 0.00000 0.00000 1.66675 0.00000 0.00000 190 11PZ 0.00000 0.00000 0.00000 1.51628 -0.49736 191 12PX 0.00000 -1.24615 0.00000 0.00000 0.00000 192 12PY 0.00000 0.00000 -0.17273 0.00000 0.00000 193 12PZ 0.00000 0.00000 0.00000 8.35056 0.37475 194 13D 0 0.00000 0.00000 0.00000 0.00333 -0.12649 195 13D+1 0.00000 0.03841 0.00000 0.00000 0.00000 196 13D-1 0.00000 0.00000 -0.09743 0.00000 0.00000 197 13D+2 0.00000 0.00000 0.00000 0.10692 0.11844 198 13D-2 0.06021 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00000 0.00000 0.00000 -0.92292 0.62268 200 14D+1 0.00000 -0.34473 0.00000 0.00000 0.00000 201 14D-1 0.00000 0.00000 1.15939 0.00000 0.00000 202 14D+2 0.00000 0.00000 0.00000 -0.05902 -0.22925 203 14D-2 -0.02763 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 0.00000 0.00000 -0.00006 -0.00177 205 2S 0.00000 0.00000 0.00000 -0.00016 -0.00584 206 3S 0.00000 0.00000 0.00000 0.00025 0.01690 207 4S 0.00000 0.00000 0.00000 0.00149 0.01499 208 5S 0.00000 0.00000 0.00000 -0.00430 -0.02415 209 6S 0.00000 0.00000 0.00000 0.00482 -0.09163 210 7S 0.00000 0.00000 0.00000 -0.03414 0.38008 211 8S 0.00000 0.00000 0.00000 0.28536 -0.67800 212 9S 0.00000 0.00000 0.00000 -6.30509 -1.14675 213 9PX 0.00000 0.16258 0.00000 0.00000 0.00000 214 9PY 0.00000 0.00000 0.16555 0.00000 0.00000 215 9PZ 0.00000 0.00000 0.00000 1.60730 0.39126 216 10PX 0.00000 -0.00020 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00227 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00000 -0.00165 -0.00113 219 11PX 0.00000 -0.00180 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 0.01922 0.00000 0.00000 221 11PZ 0.00000 0.00000 0.00000 -0.01389 -0.00942 222 12PX 0.00000 0.00567 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00000 -0.05472 0.00000 0.00000 224 12PZ 0.00000 0.00000 0.00000 0.03899 0.02603 225 13PX 0.00000 -0.00871 0.00000 0.00000 0.00000 226 13PY 0.00000 0.00000 0.01774 0.00000 0.00000 227 13PZ 0.00000 0.00000 0.00000 -0.00525 0.00164 228 14PX 0.00000 0.02019 0.00000 0.00000 0.00000 229 14PY 0.00000 0.00000 -0.03856 0.00000 0.00000 230 14PZ 0.00000 0.00000 0.00000 0.00870 -0.00605 231 15PX 0.00000 -0.06732 0.00000 0.00000 0.00000 232 15PY 0.00000 0.00000 0.40114 0.00000 0.00000 233 15PZ 0.00000 0.00000 0.00000 -0.22782 -0.13181 234 16PX 0.00000 0.05907 0.00000 0.00000 0.00000 235 16PY 0.00000 0.00000 -1.19678 0.00000 0.00000 236 16PZ 0.00000 0.00000 0.00000 0.37363 0.36550 237 17D 0 0.00000 0.00000 0.00000 -0.00342 0.00810 238 17D+1 0.00000 0.01678 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 -0.07280 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00000 -0.00794 -0.01339 241 17D-2 -0.00455 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 0.00000 0.00000 0.00207 0.00496 243 18D+1 0.00000 0.00506 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00000 -0.00699 0.00000 0.00000 245 18D+2 0.00000 0.00000 0.00000 -0.00363 -0.00534 246 18D-2 -0.00221 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00000 0.00000 -0.00280 -0.01302 248 19D+1 0.00000 -0.01679 0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00000 0.04032 0.00000 0.00000 250 19D+2 0.00000 0.00000 0.00000 0.01000 0.01554 251 19D-2 0.00591 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00000 0.00000 0.00000 0.03044 -0.03570 253 20D+1 0.00000 -0.06449 0.00000 0.00000 0.00000 254 20D-1 0.00000 0.00000 0.57812 0.00000 0.00000 255 20D+2 0.00000 0.00000 0.00000 0.04287 0.07687 256 20D-2 0.02373 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.00000 0.00000 -0.04637 0.03756 -0.01330 258 2S 0.00000 0.00000 -0.63121 0.15231 -0.10337 259 3S 0.00000 0.00000 2.16490 -1.71235 1.13178 260 4PX 0.01536 0.00395 0.00000 0.00000 0.00000 261 4PY 0.00000 0.00000 0.01983 0.03091 0.00581 262 4PZ 0.00000 0.00000 0.01404 0.00678 -0.01408 263 11 H 1S 0.00000 0.00000 0.05102 0.00296 0.00508 264 2S 0.00000 0.00000 0.68644 -0.14796 -0.24531 265 3S 0.00000 0.00000 -1.44196 -0.72410 -1.01821 266 4PX -0.01777 -0.00934 0.00000 0.00000 0.00000 267 4PY 0.00000 0.00000 -0.03922 0.02396 0.01614 268 4PZ 0.00000 0.00000 -0.00588 0.01297 -0.04130 269 12 H 1S 0.00000 0.00000 0.00000 -0.06239 0.01941 270 2S 0.00000 0.00000 0.00000 -0.84079 0.00056 271 3S 0.00000 0.00000 0.00000 1.79456 -1.93125 272 4PX 0.00000 0.01591 0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 0.02628 0.00000 0.00000 274 4PZ 0.00000 0.00000 0.00000 -0.02957 -0.04417 275 13 H 1S 0.00000 0.00000 -0.05102 0.00296 0.00508 276 2S 0.00000 0.00000 -0.68644 -0.14796 -0.24531 277 3S 0.00000 0.00000 1.44196 -0.72410 -1.01821 278 4PX 0.01777 -0.00934 0.00000 0.00000 0.00000 279 4PY 0.00000 0.00000 -0.03922 -0.02396 -0.01614 280 4PZ 0.00000 0.00000 0.00588 0.01297 -0.04130 126 127 128 129 130 (B2)--V (A2)--V (B1)--V (A1)--V (B1)--V Eigenvalues -- 0.64791 0.65056 0.66180 0.68443 0.69645 1 1 C 1S 0.00019 0.00000 0.00000 0.01704 0.00000 2 2S 0.00264 0.00000 0.00000 0.03262 0.00000 3 2PX 0.00000 0.00741 -0.11409 0.00000 -0.00981 4 2PY 0.12773 0.00000 0.00000 -0.14160 0.00000 5 2PZ 0.01806 0.00000 0.00000 -0.06367 0.00000 6 3S 0.05359 0.00000 0.00000 -0.34848 0.00000 7 3PX 0.00000 0.02923 -0.40982 0.00000 -0.03069 8 3PY 0.20380 0.00000 0.00000 -0.32848 0.00000 9 3PZ 0.05909 0.00000 0.00000 -0.16058 0.00000 10 4S -6.43276 0.00000 0.00000 6.24711 0.00000 11 4PX 0.00000 -0.07580 1.73255 0.00000 0.43016 12 4PY -3.43342 0.00000 0.00000 3.69547 0.00000 13 4PZ -0.06484 0.00000 0.00000 1.61716 0.00000 14 5S 23.29621 0.00000 0.00000 28.30196 0.00000 15 5PX 0.00000 0.19296 -2.35528 0.00000 -1.19220 16 5PY 3.87940 0.00000 0.00000 3.29423 0.00000 17 5PZ -5.80969 0.00000 0.00000 6.02557 0.00000 18 6D 0 -0.01118 0.00000 0.00000 0.00264 0.00000 19 6D+1 0.00000 0.01558 -0.00519 0.00000 -0.00098 20 6D-1 0.01268 0.00000 0.00000 -0.01419 0.00000 21 6D+2 -0.00885 0.00000 0.00000 0.00218 0.00000 22 6D-2 0.00000 -0.00852 -0.00754 0.00000 -0.00532 23 7D 0 -0.16526 0.00000 0.00000 -0.13438 0.00000 24 7D+1 0.00000 0.27252 0.05190 0.00000 0.02836 25 7D-1 0.18284 0.00000 0.00000 0.28574 0.00000 26 7D+2 0.23822 0.00000 0.00000 -0.38373 0.00000 27 7D-2 0.00000 -0.16091 0.12122 0.00000 -0.00574 28 2 C 1S 0.00000 0.00000 0.00000 -0.00655 0.00000 29 2S 0.00000 0.00000 0.00000 -0.01342 0.00000 30 2PX 0.00000 0.00000 0.10011 0.00000 0.03526 31 2PY 0.14395 0.00000 0.00000 0.00000 0.00000 32 2PZ 0.00000 0.00000 0.00000 0.17674 0.00000 33 3S 0.00000 0.00000 0.00000 0.21531 0.00000 34 3PX 0.00000 0.00000 0.35371 0.00000 0.12436 35 3PY 0.09920 0.00000 0.00000 0.00000 0.00000 36 3PZ 0.00000 0.00000 0.00000 0.40674 0.00000 37 4S 0.00000 0.00000 0.00000 -6.48291 0.00000 38 4PX 0.00000 0.00000 -1.74679 0.00000 -0.43912 39 4PY -5.33859 0.00000 0.00000 0.00000 0.00000 40 4PZ 0.00000 0.00000 0.00000 -5.18721 0.00000 41 5S 0.00000 0.00000 0.00000 -14.61593 0.00000 42 5PX 0.00000 0.00000 2.43022 0.00000 0.97403 43 5PY 14.00428 0.00000 0.00000 0.00000 0.00000 44 5PZ 0.00000 0.00000 0.00000 -5.35115 0.00000 45 6D 0 0.00000 0.00000 0.00000 0.01529 0.00000 46 6D+1 0.00000 0.00000 0.01119 0.00000 -0.00000 47 6D-1 0.00356 0.00000 0.00000 0.00000 0.00000 48 6D+2 0.00000 0.00000 0.00000 0.00575 0.00000 49 6D-2 0.00000 0.01815 0.00000 0.00000 0.00000 50 7D 0 0.00000 0.00000 0.00000 -0.41684 0.00000 51 7D+1 0.00000 0.00000 -0.06448 0.00000 -0.15149 52 7D-1 -0.63867 0.00000 0.00000 0.00000 0.00000 53 7D+2 0.00000 0.00000 0.00000 0.14314 0.00000 54 7D-2 0.00000 0.31341 0.00000 0.00000 0.00000 55 3 C 1S -0.00019 0.00000 0.00000 0.01704 0.00000 56 2S -0.00264 0.00000 0.00000 0.03262 0.00000 57 2PX 0.00000 -0.00741 -0.11409 0.00000 -0.00981 58 2PY 0.12773 0.00000 0.00000 0.14160 0.00000 59 2PZ -0.01806 0.00000 0.00000 -0.06367 0.00000 60 3S -0.05359 0.00000 0.00000 -0.34848 0.00000 61 3PX 0.00000 -0.02923 -0.40982 0.00000 -0.03069 62 3PY 0.20380 0.00000 0.00000 0.32848 0.00000 63 3PZ -0.05909 0.00000 0.00000 -0.16058 0.00000 64 4S 6.43276 0.00000 0.00000 6.24711 0.00000 65 4PX 0.00000 0.07580 1.73255 0.00000 0.43016 66 4PY -3.43342 0.00000 0.00000 -3.69547 0.00000 67 4PZ 0.06484 0.00000 0.00000 1.61716 0.00000 68 5S -23.29621 0.00000 0.00000 28.30196 0.00000 69 5PX 0.00000 -0.19296 -2.35528 0.00000 -1.19220 70 5PY 3.87940 0.00000 0.00000 -3.29423 0.00000 71 5PZ 5.80969 0.00000 0.00000 6.02557 0.00000 72 6D 0 0.01118 0.00000 0.00000 0.00264 0.00000 73 6D+1 0.00000 -0.01558 -0.00519 0.00000 -0.00098 74 6D-1 0.01268 0.00000 0.00000 0.01419 0.00000 75 6D+2 0.00885 0.00000 0.00000 0.00218 0.00000 76 6D-2 0.00000 -0.00852 0.00754 0.00000 0.00532 77 7D 0 0.16526 0.00000 0.00000 -0.13438 0.00000 78 7D+1 0.00000 -0.27252 0.05190 0.00000 0.02836 79 7D-1 0.18284 0.00000 0.00000 -0.28574 0.00000 80 7D+2 -0.23822 0.00000 0.00000 -0.38373 0.00000 81 7D-2 0.00000 -0.16091 -0.12122 0.00000 0.00574 82 4 C 1S -0.00490 0.00000 0.00000 -0.00696 0.00000 83 2S -0.01186 0.00000 0.00000 -0.01263 0.00000 84 2PX 0.00000 0.00991 0.08213 0.00000 0.05474 85 2PY 0.01629 0.00000 0.00000 -0.07400 0.00000 86 2PZ -0.09578 0.00000 0.00000 -0.04137 0.00000 87 3S 0.17874 0.00000 0.00000 0.03795 0.00000 88 3PX 0.00000 0.04010 0.28505 0.00000 0.20181 89 3PY -0.09924 0.00000 0.00000 -0.15098 0.00000 90 3PZ -0.17345 0.00000 0.00000 -0.04903 0.00000 91 4S -0.30165 0.00000 0.00000 -1.84568 0.00000 92 4PX 0.00000 -0.09126 -1.20006 0.00000 -1.07464 93 4PY -0.62823 0.00000 0.00000 1.50204 0.00000 94 4PZ 3.06263 0.00000 0.00000 2.09665 0.00000 95 5S 21.44847 0.00000 0.00000 -37.40161 0.00000 96 5PX 0.00000 0.24917 2.08238 0.00000 1.30399 97 5PY -4.37361 0.00000 0.00000 5.19403 0.00000 98 5PZ 2.09478 0.00000 0.00000 5.73959 0.00000 99 6D 0 0.00705 0.00000 0.00000 -0.00642 0.00000 100 6D+1 0.00000 0.01541 -0.00576 0.00000 -0.00060 101 6D-1 0.00195 0.00000 0.00000 0.00452 0.00000 102 6D+2 -0.00397 0.00000 0.00000 0.00053 0.00000 103 6D-2 0.00000 -0.00898 -0.00641 0.00000 -0.00256 104 7D 0 -0.11883 0.00000 0.00000 -0.16626 0.00000 105 7D+1 0.00000 0.26475 0.11038 0.00000 -0.06557 106 7D-1 -0.38113 0.00000 0.00000 -0.19054 0.00000 107 7D+2 -0.04065 0.00000 0.00000 -0.11566 0.00000 108 7D-2 0.00000 -0.15775 -0.05145 0.00000 0.20506 109 5 C 1S 0.00000 0.00000 0.00000 0.01108 0.00000 110 2S 0.00000 0.00000 0.00000 0.01840 0.00000 111 2PX 0.00000 0.00000 0.00403 0.00000 -0.13748 112 2PY 0.09748 0.00000 0.00000 0.00000 0.00000 113 2PZ 0.00000 0.00000 0.00000 0.01336 0.00000 114 3S 0.00000 0.00000 0.00000 -0.04158 0.00000 115 3PX 0.00000 0.00000 0.05839 0.00000 -0.52193 116 3PY 0.07065 0.00000 0.00000 0.00000 0.00000 117 3PZ 0.00000 0.00000 0.00000 0.00010 0.00000 118 4S 0.00000 0.00000 0.00000 0.62312 0.00000 119 4PX 0.00000 0.00000 0.04062 0.00000 2.39269 120 4PY -3.26317 0.00000 0.00000 0.00000 0.00000 121 4PZ 0.00000 0.00000 0.00000 0.19017 0.00000 122 5S 0.00000 0.00000 0.00000 40.58469 0.00000 123 5PX 0.00000 0.00000 -1.92507 0.00000 -0.58163 124 5PY -13.11816 0.00000 0.00000 0.00000 0.00000 125 5PZ 0.00000 0.00000 0.00000 -5.97349 0.00000 126 6D 0 0.00000 0.00000 0.00000 0.01822 0.00000 127 6D+1 0.00000 0.00000 0.00371 0.00000 0.01508 128 6D-1 -0.00292 0.00000 0.00000 0.00000 0.00000 129 6D+2 0.00000 0.00000 0.00000 -0.00872 0.00000 130 6D-2 0.00000 0.01637 0.00000 0.00000 0.00000 131 7D 0 0.00000 0.00000 0.00000 0.36778 0.00000 132 7D+1 0.00000 0.00000 -0.27562 0.00000 0.20282 133 7D-1 0.22156 0.00000 0.00000 0.00000 0.00000 134 7D+2 0.00000 0.00000 0.00000 -0.03267 0.00000 135 7D-2 0.00000 0.31155 0.00000 0.00000 0.00000 136 6 C 1S 0.00490 0.00000 0.00000 -0.00696 0.00000 137 2S 0.01186 0.00000 0.00000 -0.01263 0.00000 138 2PX 0.00000 -0.00991 0.08213 0.00000 0.05474 139 2PY 0.01629 0.00000 0.00000 0.07400 0.00000 140 2PZ 0.09578 0.00000 0.00000 -0.04137 0.00000 141 3S -0.17874 0.00000 0.00000 0.03795 0.00000 142 3PX 0.00000 -0.04010 0.28505 0.00000 0.20181 143 3PY -0.09924 0.00000 0.00000 0.15098 0.00000 144 3PZ 0.17345 0.00000 0.00000 -0.04903 0.00000 145 4S 0.30165 0.00000 0.00000 -1.84568 0.00000 146 4PX 0.00000 0.09126 -1.20006 0.00000 -1.07464 147 4PY -0.62823 0.00000 0.00000 -1.50204 0.00000 148 4PZ -3.06263 0.00000 0.00000 2.09665 0.00000 149 5S -21.44847 0.00000 0.00000 -37.40161 0.00000 150 5PX 0.00000 -0.24917 2.08238 0.00000 1.30399 151 5PY -4.37361 0.00000 0.00000 -5.19403 0.00000 152 5PZ -2.09478 0.00000 0.00000 5.73959 0.00000 153 6D 0 -0.00705 0.00000 0.00000 -0.00642 0.00000 154 6D+1 0.00000 -0.01541 -0.00576 0.00000 -0.00060 155 6D-1 0.00195 0.00000 0.00000 -0.00452 0.00000 156 6D+2 0.00397 0.00000 0.00000 0.00053 0.00000 157 6D-2 0.00000 -0.00898 0.00641 0.00000 0.00256 158 7D 0 0.11883 0.00000 0.00000 -0.16626 0.00000 159 7D+1 0.00000 -0.26475 0.11038 0.00000 -0.06557 160 7D-1 -0.38113 0.00000 0.00000 0.19054 0.00000 161 7D+2 0.04065 0.00000 0.00000 -0.11566 0.00000 162 7D-2 0.00000 -0.15775 0.05145 0.00000 -0.20506 163 7 H 1S -0.02704 0.00000 0.00000 0.01474 0.00000 164 2S -0.39330 0.00000 0.00000 -0.36817 0.00000 165 3S 0.63887 0.00000 0.00000 -0.98583 0.00000 166 4PX 0.00000 0.00265 -0.02098 0.00000 -0.02874 167 4PY -0.04374 0.00000 0.00000 -0.01885 0.00000 168 4PZ -0.00423 0.00000 0.00000 0.02949 0.00000 169 8 Mg 1S 0.00000 0.00000 0.00000 -0.00345 0.00000 170 2S 0.00000 0.00000 0.00000 -0.00861 0.00000 171 3S 0.00000 0.00000 0.00000 0.01407 0.00000 172 4S 0.00000 0.00000 0.00000 0.10067 0.00000 173 5S 0.00000 0.00000 0.00000 -0.37891 0.00000 174 6S 0.00000 0.00000 0.00000 -7.29787 0.00000 175 7S 0.00000 0.00000 0.00000 0.21289 0.00000 176 7PX 0.00000 0.00000 0.10755 0.00000 0.03834 177 7PY 0.01247 0.00000 0.00000 0.00000 0.00000 178 7PZ 0.00000 0.00000 0.00000 -0.19867 0.00000 179 8PX 0.00000 0.00000 0.05666 0.00000 0.03643 180 8PY 0.04669 0.00000 0.00000 0.00000 0.00000 181 8PZ 0.00000 0.00000 0.00000 0.06546 0.00000 182 9PX 0.00000 0.00000 0.09958 0.00000 0.06551 183 9PY 0.08270 0.00000 0.00000 0.00000 0.00000 184 9PZ 0.00000 0.00000 0.00000 0.11607 0.00000 185 10PX 0.00000 0.00000 -0.67573 0.00000 -0.41463 186 10PY -0.57870 0.00000 0.00000 0.00000 0.00000 187 10PZ 0.00000 0.00000 0.00000 -0.96884 0.00000 188 11PX 0.00000 0.00000 0.90297 0.00000 0.19593 189 11PY 1.62155 0.00000 0.00000 0.00000 0.00000 190 11PZ 0.00000 0.00000 0.00000 2.85957 0.00000 191 12PX 0.00000 0.00000 -0.44793 0.00000 -0.62891 192 12PY 0.61244 0.00000 0.00000 0.00000 0.00000 193 12PZ 0.00000 0.00000 0.00000 3.23113 0.00000 194 13D 0 0.00000 0.00000 0.00000 0.11830 0.00000 195 13D+1 0.00000 0.00000 0.03908 0.00000 -0.64714 196 13D-1 -0.04590 0.00000 0.00000 0.00000 0.00000 197 13D+2 0.00000 0.00000 0.00000 -0.07225 0.00000 198 13D-2 0.00000 -0.07467 0.00000 0.00000 0.00000 199 14D 0 0.00000 0.00000 0.00000 -0.91391 0.00000 200 14D+1 0.00000 0.00000 -0.78704 0.00000 1.78441 201 14D-1 0.08913 0.00000 0.00000 0.00000 0.00000 202 14D+2 0.00000 0.00000 0.00000 0.16609 0.00000 203 14D-2 0.00000 -0.12735 0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 0.00000 0.00000 0.00023 0.00000 205 2S 0.00000 0.00000 0.00000 0.00078 0.00000 206 3S 0.00000 0.00000 0.00000 -0.00238 0.00000 207 4S 0.00000 0.00000 0.00000 -0.00136 0.00000 208 5S 0.00000 0.00000 0.00000 0.00110 0.00000 209 6S 0.00000 0.00000 0.00000 0.01633 0.00000 210 7S 0.00000 0.00000 0.00000 -0.05572 0.00000 211 8S 0.00000 0.00000 0.00000 0.00839 0.00000 212 9S 0.00000 0.00000 0.00000 -0.58296 0.00000 213 9PX 0.00000 0.00000 0.03253 0.00000 0.17569 214 9PY 0.01016 0.00000 0.00000 0.00000 0.00000 215 9PZ 0.00000 0.00000 0.00000 0.03945 0.00000 216 10PX 0.00000 0.00000 -0.00117 0.00000 0.00161 217 10PY 0.00111 0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00000 0.00047 0.00000 219 11PX 0.00000 0.00000 -0.00995 0.00000 0.01346 220 11PY 0.00934 0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00000 0.00000 0.00405 0.00000 222 12PX 0.00000 0.00000 0.02857 0.00000 -0.03724 223 12PY -0.02644 0.00000 0.00000 0.00000 0.00000 224 12PZ 0.00000 0.00000 0.00000 -0.01201 0.00000 225 13PX 0.00000 0.00000 -0.01172 0.00000 -0.00258 226 13PY 0.00643 0.00000 0.00000 0.00000 0.00000 227 13PZ 0.00000 0.00000 0.00000 0.01049 0.00000 228 14PX 0.00000 0.00000 0.02599 0.00000 0.00949 229 14PY -0.01329 0.00000 0.00000 0.00000 0.00000 230 14PZ 0.00000 0.00000 0.00000 -0.02785 0.00000 231 15PX 0.00000 0.00000 -0.22278 0.00000 0.21757 232 15PY 0.18347 0.00000 0.00000 0.00000 0.00000 233 15PZ 0.00000 0.00000 0.00000 0.16034 0.00000 234 16PX 0.00000 0.00000 0.59017 0.00000 -0.97327 235 16PY -0.49870 0.00000 0.00000 0.00000 0.00000 236 16PZ 0.00000 0.00000 0.00000 -0.18026 0.00000 237 17D 0 0.00000 0.00000 0.00000 -0.02691 0.00000 238 17D+1 0.00000 0.00000 0.04422 0.00000 -0.02498 239 17D-1 -0.02774 0.00000 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00000 0.00464 0.00000 241 17D-2 0.00000 -0.00982 0.00000 0.00000 0.00000 242 18D 0 0.00000 0.00000 0.00000 0.00066 0.00000 243 18D+1 0.00000 0.00000 0.00948 0.00000 -0.00493 244 18D-1 -0.00470 0.00000 0.00000 0.00000 0.00000 245 18D+2 0.00000 0.00000 0.00000 0.00170 0.00000 246 18D-2 0.00000 -0.00427 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00000 0.00000 0.01003 0.00000 248 19D+1 0.00000 0.00000 -0.03599 0.00000 0.01805 249 19D-1 0.01957 0.00000 0.00000 0.00000 0.00000 250 19D+2 0.00000 0.00000 0.00000 -0.00516 0.00000 251 19D-2 0.00000 0.01214 0.00000 0.00000 0.00000 252 20D 0 0.00000 0.00000 0.00000 0.17733 0.00000 253 20D+1 0.00000 0.00000 -0.29956 0.00000 0.28123 254 20D-1 0.21554 0.00000 0.00000 0.00000 0.00000 255 20D+2 0.00000 0.00000 0.00000 -0.02875 0.00000 256 20D-2 0.00000 0.05300 0.00000 0.00000 0.00000 257 10 H 1S 0.02704 0.00000 0.00000 0.01474 0.00000 258 2S 0.39330 0.00000 0.00000 -0.36817 0.00000 259 3S -0.63887 0.00000 0.00000 -0.98583 0.00000 260 4PX 0.00000 -0.00265 -0.02098 0.00000 -0.02874 261 4PY -0.04374 0.00000 0.00000 0.01885 0.00000 262 4PZ 0.00423 0.00000 0.00000 0.02949 0.00000 263 11 H 1S -0.03971 0.00000 0.00000 -0.05130 0.00000 264 2S -0.35429 0.00000 0.00000 -0.58896 0.00000 265 3S 2.69103 0.00000 0.00000 2.23535 0.00000 266 4PX 0.00000 -0.00086 0.03361 0.00000 0.00719 267 4PY -0.01169 0.00000 0.00000 0.03158 0.00000 268 4PZ -0.00325 0.00000 0.00000 -0.02423 0.00000 269 12 H 1S 0.00000 0.00000 0.00000 0.05502 0.00000 270 2S 0.00000 0.00000 0.00000 0.29285 0.00000 271 3S 0.00000 0.00000 0.00000 -3.03964 0.00000 272 4PX 0.00000 0.00000 -0.04105 0.00000 0.00168 273 4PY -0.03651 0.00000 0.00000 0.00000 0.00000 274 4PZ 0.00000 0.00000 0.00000 0.01329 0.00000 275 13 H 1S 0.03971 0.00000 0.00000 -0.05130 0.00000 276 2S 0.35429 0.00000 0.00000 -0.58896 0.00000 277 3S -2.69103 0.00000 0.00000 2.23535 0.00000 278 4PX 0.00000 0.00086 0.03361 0.00000 0.00719 279 4PY -0.01169 0.00000 0.00000 -0.03158 0.00000 280 4PZ 0.00325 0.00000 0.00000 -0.02423 0.00000 131 132 133 134 135 (B2)--V (B2)--V (A1)--V (A2)--V (B1)--V Eigenvalues -- 0.69694 0.73643 0.73820 0.73888 0.73889 1 1 C 1S -0.00590 -0.00139 0.00566 0.00000 0.00000 2 2S -0.01228 -0.00335 0.00932 0.00000 0.00000 3 2PX 0.00000 0.00000 0.00000 0.01338 -0.02660 4 2PY -0.04895 -0.06511 0.07841 0.00000 0.00000 5 2PZ 0.07972 -0.00159 0.02702 0.00000 0.00000 6 3S 0.12465 0.02360 -0.01032 0.00000 0.00000 7 3PX 0.00000 0.00000 0.00000 0.05674 -0.09353 8 3PY -0.01485 -0.18873 0.18913 0.00000 0.00000 9 3PZ 0.08492 0.01293 0.09954 0.00000 0.00000 10 4S -0.20635 1.30320 -3.85501 0.00000 0.00000 11 4PX 0.00000 0.00000 0.00000 -0.17280 -0.09364 12 4PY 1.20488 1.88046 -3.97944 0.00000 0.00000 13 4PZ -2.33453 1.74784 -1.75685 0.00000 0.00000 14 5S -10.30946 26.04524 -9.83080 0.00000 0.00000 15 5PX 0.00000 0.00000 0.00000 0.43677 0.54706 16 5PY 2.32998 0.61041 -3.95600 0.00000 0.00000 17 5PZ -1.48251 8.91988 0.57724 0.00000 0.00000 18 6D 0 -0.00033 -0.00290 -0.00649 0.00000 0.00000 19 6D+1 0.00000 0.00000 0.00000 -0.00119 0.00156 20 6D-1 -0.00066 -0.00053 0.00497 0.00000 0.00000 21 6D+2 -0.00201 -0.00049 -0.00080 0.00000 0.00000 22 6D-2 0.00000 0.00000 0.00000 -0.00041 0.00942 23 7D 0 -0.17077 0.05826 0.05220 0.00000 0.00000 24 7D+1 0.00000 0.00000 0.00000 -0.01236 0.24341 25 7D-1 -0.34174 -0.07582 -0.22709 0.00000 0.00000 26 7D+2 -0.07311 -0.01735 0.22107 0.00000 0.00000 27 7D-2 0.00000 0.00000 0.00000 -0.06639 0.04471 28 2 C 1S 0.00000 0.00000 0.00685 0.00000 0.00000 29 2S 0.00000 0.00000 0.01293 0.00000 0.00000 30 2PX 0.00000 0.00000 0.00000 0.00000 -0.05017 31 2PY -0.10936 -0.05710 0.00000 0.00000 0.00000 32 2PZ 0.00000 0.00000 -0.08749 0.00000 0.00000 33 3S 0.00000 0.00000 -0.11569 0.00000 0.00000 34 3PX 0.00000 0.00000 0.00000 0.00000 -0.17889 35 3PY -0.06753 0.01996 0.00000 0.00000 0.00000 36 3PZ 0.00000 0.00000 -0.16741 0.00000 0.00000 37 4S 0.00000 0.00000 5.01419 0.00000 0.00000 38 4PX 0.00000 0.00000 0.00000 0.00000 0.61260 39 4PY 3.02196 -0.02376 0.00000 0.00000 0.00000 40 4PZ 0.00000 0.00000 4.01438 0.00000 0.00000 41 5S 0.00000 0.00000 20.32866 0.00000 0.00000 42 5PX 0.00000 0.00000 0.00000 0.00000 -0.62385 43 5PY -0.91292 -4.16603 0.00000 0.00000 0.00000 44 5PZ 0.00000 0.00000 3.88024 0.00000 0.00000 45 6D 0 0.00000 0.00000 -0.00346 0.00000 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00767 47 6D-1 -0.00049 0.00459 0.00000 0.00000 0.00000 48 6D+2 0.00000 0.00000 -0.00725 0.00000 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00208 0.00000 50 7D 0 0.00000 0.00000 0.30197 0.00000 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.32471 52 7D-1 0.25864 0.17813 0.00000 0.00000 0.00000 53 7D+2 0.00000 0.00000 0.07075 0.00000 0.00000 54 7D-2 0.00000 0.00000 0.00000 -0.07775 0.00000 55 3 C 1S 0.00590 0.00139 0.00566 0.00000 0.00000 56 2S 0.01228 0.00335 0.00932 0.00000 0.00000 57 2PX 0.00000 0.00000 0.00000 -0.01338 -0.02660 58 2PY -0.04895 -0.06511 -0.07841 0.00000 0.00000 59 2PZ -0.07972 0.00159 0.02702 0.00000 0.00000 60 3S -0.12465 -0.02360 -0.01032 0.00000 0.00000 61 3PX 0.00000 0.00000 0.00000 -0.05674 -0.09353 62 3PY -0.01485 -0.18873 -0.18913 0.00000 0.00000 63 3PZ -0.08492 -0.01293 0.09954 0.00000 0.00000 64 4S 0.20635 -1.30320 -3.85501 0.00000 0.00000 65 4PX 0.00000 0.00000 0.00000 0.17280 -0.09364 66 4PY 1.20488 1.88046 3.97944 0.00000 0.00000 67 4PZ 2.33453 -1.74784 -1.75685 0.00000 0.00000 68 5S 10.30946 -26.04524 -9.83080 0.00000 0.00000 69 5PX 0.00000 0.00000 0.00000 -0.43677 0.54706 70 5PY 2.32998 0.61041 3.95600 0.00000 0.00000 71 5PZ 1.48251 -8.91988 0.57724 0.00000 0.00000 72 6D 0 0.00033 0.00290 -0.00649 0.00000 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00119 0.00156 74 6D-1 -0.00066 -0.00053 -0.00497 0.00000 0.00000 75 6D+2 0.00201 0.00049 -0.00080 0.00000 0.00000 76 6D-2 0.00000 0.00000 0.00000 -0.00041 -0.00942 77 7D 0 0.17077 -0.05826 0.05220 0.00000 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.01236 0.24341 79 7D-1 -0.34174 -0.07582 0.22709 0.00000 0.00000 80 7D+2 0.07311 0.01735 0.22107 0.00000 0.00000 81 7D-2 0.00000 0.00000 0.00000 -0.06639 -0.04471 82 4 C 1S 0.00747 -0.01662 0.00191 0.00000 0.00000 83 2S 0.01500 -0.03261 0.00477 0.00000 0.00000 84 2PX 0.00000 0.00000 0.00000 -0.00712 0.00689 85 2PY -0.04935 0.07862 0.11729 0.00000 0.00000 86 2PZ -0.07342 0.01504 0.04611 0.00000 0.00000 87 3S -0.06185 0.14924 -0.16513 0.00000 0.00000 88 3PX 0.00000 0.00000 0.00000 -0.06105 0.01933 89 3PY -0.16196 0.04882 0.23572 0.00000 0.00000 90 3PZ -0.14364 0.11993 0.18627 0.00000 0.00000 91 4S -2.33701 6.62402 6.58709 0.00000 0.00000 92 4PX 0.00000 0.00000 0.00000 -0.09385 0.41097 93 4PY 1.50892 -3.26896 -5.12774 0.00000 0.00000 94 4PZ 1.51175 0.48776 -1.25983 0.00000 0.00000 95 5S 45.69864 53.57692 4.11004 0.00000 0.00000 96 5PX 0.00000 0.00000 0.00000 0.58617 -1.19050 97 5PY -9.84992 -5.06315 -2.77174 0.00000 0.00000 98 5PZ 17.20694 -7.41115 0.78729 0.00000 0.00000 99 6D 0 -0.00620 -0.00718 0.00125 0.00000 0.00000 100 6D+1 0.00000 0.00000 0.00000 0.00047 -0.00555 101 6D-1 0.00621 -0.01263 -0.00853 0.00000 0.00000 102 6D+2 -0.00837 -0.00629 -0.00067 0.00000 0.00000 103 6D-2 0.00000 0.00000 0.00000 -0.00559 0.01349 104 7D 0 -0.17543 0.18562 -0.22618 0.00000 0.00000 105 7D+1 0.00000 0.00000 0.00000 -0.06260 0.14374 106 7D-1 0.04419 -0.29996 0.20785 0.00000 0.00000 107 7D+2 0.00361 -0.24107 -0.44621 0.00000 0.00000 108 7D-2 0.00000 0.00000 0.00000 -0.06391 -0.00497 109 5 C 1S 0.00000 0.00000 -0.00497 0.00000 0.00000 110 2S 0.00000 0.00000 -0.01496 0.00000 0.00000 111 2PX 0.00000 0.00000 0.00000 0.00000 0.14399 112 2PY -0.00663 0.14451 0.00000 0.00000 0.00000 113 2PZ 0.00000 0.00000 -0.17916 0.00000 0.00000 114 3S 0.00000 0.00000 0.35482 0.00000 0.00000 115 3PX 0.00000 0.00000 0.00000 0.00000 0.60778 116 3PY 0.01799 0.33616 0.00000 0.00000 0.00000 117 3PZ 0.00000 0.00000 -0.38484 0.00000 0.00000 118 4S 0.00000 0.00000 -8.98346 0.00000 0.00000 119 4PX 0.00000 0.00000 0.00000 0.00000 -1.76106 120 4PY 1.04354 -7.66623 0.00000 0.00000 0.00000 121 4PZ 0.00000 0.00000 7.08746 0.00000 0.00000 122 5S 0.00000 0.00000 -0.42062 0.00000 0.00000 123 5PX 0.00000 0.00000 0.00000 0.00000 2.44709 124 5PY -36.00302 -17.18951 0.00000 0.00000 0.00000 125 5PZ 0.00000 0.00000 5.80954 0.00000 0.00000 126 6D 0 0.00000 0.00000 0.03150 0.00000 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00565 128 6D-1 0.00907 -0.02497 0.00000 0.00000 0.00000 129 6D+2 0.00000 0.00000 0.00194 0.00000 0.00000 130 6D-2 0.00000 0.00000 0.00000 -0.00318 0.00000 131 7D 0 0.00000 0.00000 -0.25791 0.00000 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.44910 133 7D-1 -0.12353 0.37201 0.00000 0.00000 0.00000 134 7D+2 0.00000 0.00000 0.02967 0.00000 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.22345 0.00000 136 6 C 1S -0.00747 0.01662 0.00191 0.00000 0.00000 137 2S -0.01500 0.03261 0.00477 0.00000 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00712 0.00689 139 2PY -0.04935 0.07862 -0.11729 0.00000 0.00000 140 2PZ 0.07342 -0.01504 0.04611 0.00000 0.00000 141 3S 0.06185 -0.14924 -0.16513 0.00000 0.00000 142 3PX 0.00000 0.00000 0.00000 0.06105 0.01933 143 3PY -0.16196 0.04882 -0.23572 0.00000 0.00000 144 3PZ 0.14364 -0.11993 0.18627 0.00000 0.00000 145 4S 2.33701 -6.62402 6.58709 0.00000 0.00000 146 4PX 0.00000 0.00000 0.00000 0.09385 0.41097 147 4PY 1.50892 -3.26896 5.12774 0.00000 0.00000 148 4PZ -1.51175 -0.48776 -1.25983 0.00000 0.00000 149 5S -45.69864 -53.57692 4.11004 0.00000 0.00000 150 5PX 0.00000 0.00000 0.00000 -0.58617 -1.19050 151 5PY -9.84992 -5.06315 2.77174 0.00000 0.00000 152 5PZ -17.20694 7.41115 0.78729 0.00000 0.00000 153 6D 0 0.00620 0.00718 0.00125 0.00000 0.00000 154 6D+1 0.00000 0.00000 0.00000 -0.00047 -0.00555 155 6D-1 0.00621 -0.01263 0.00853 0.00000 0.00000 156 6D+2 0.00837 0.00629 -0.00067 0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 -0.00559 -0.01349 158 7D 0 0.17543 -0.18562 -0.22618 0.00000 0.00000 159 7D+1 0.00000 0.00000 0.00000 0.06260 0.14374 160 7D-1 0.04419 -0.29996 -0.20785 0.00000 0.00000 161 7D+2 -0.00361 0.24107 -0.44621 0.00000 0.00000 162 7D-2 0.00000 0.00000 0.00000 -0.06391 0.00497 163 7 H 1S -0.03331 0.03033 -0.03912 0.00000 0.00000 164 2S -0.13486 -0.00311 -0.22055 0.00000 0.00000 165 3S 2.57947 -0.84004 2.40604 0.00000 0.00000 166 4PX 0.00000 0.00000 0.00000 0.03042 0.03516 167 4PY 0.01542 -0.03245 -0.01128 0.00000 0.00000 168 4PZ -0.00404 0.03084 0.01528 0.00000 0.00000 169 8 Mg 1S 0.00000 0.00000 -0.00318 0.00000 0.00000 170 2S 0.00000 0.00000 -0.00756 0.00000 0.00000 171 3S 0.00000 0.00000 0.00753 0.00000 0.00000 172 4S 0.00000 0.00000 0.12397 0.00000 0.00000 173 5S 0.00000 0.00000 -2.30022 0.00000 0.00000 174 6S 0.00000 0.00000 -9.62876 0.00000 0.00000 175 7S 0.00000 0.00000 0.47751 0.00000 0.00000 176 7PX 0.00000 0.00000 0.00000 0.00000 0.11496 177 7PY -0.03895 -0.06836 0.00000 0.00000 0.00000 178 7PZ 0.00000 0.00000 -0.15260 0.00000 0.00000 179 8PX 0.00000 0.00000 0.00000 0.00000 0.01704 180 8PY 0.12827 0.05649 0.00000 0.00000 0.00000 181 8PZ 0.00000 0.00000 0.09823 0.00000 0.00000 182 9PX 0.00000 0.00000 0.00000 0.00000 0.02689 183 9PY 0.23162 0.10077 0.00000 0.00000 0.00000 184 9PZ 0.00000 0.00000 0.17004 0.00000 0.00000 185 10PX 0.00000 0.00000 0.00000 0.00000 -0.14770 186 10PY -1.66893 -0.81491 0.00000 0.00000 0.00000 187 10PZ 0.00000 0.00000 -1.09065 0.00000 0.00000 188 11PX 0.00000 0.00000 0.00000 0.00000 0.19468 189 11PY 2.89581 2.84820 0.00000 0.00000 0.00000 190 11PZ 0.00000 0.00000 4.44832 0.00000 0.00000 191 12PX 0.00000 0.00000 0.00000 0.00000 -0.75573 192 12PY -0.84942 3.55952 0.00000 0.00000 0.00000 193 12PZ 0.00000 0.00000 2.41265 0.00000 0.00000 194 13D 0 0.00000 0.00000 0.04048 0.00000 0.00000 195 13D+1 0.00000 0.00000 0.00000 0.00000 -0.50513 196 13D-1 -0.37357 0.25635 0.00000 0.00000 0.00000 197 13D+2 0.00000 0.00000 0.03247 0.00000 0.00000 198 13D-2 0.00000 0.00000 0.00000 1.09111 0.00000 199 14D 0 0.00000 0.00000 -0.74153 0.00000 0.00000 200 14D+1 0.00000 0.00000 0.00000 0.00000 0.10321 201 14D-1 0.41904 -3.31453 0.00000 0.00000 0.00000 202 14D+2 0.00000 0.00000 0.07148 0.00000 0.00000 203 14D-2 0.00000 0.00000 0.00000 -0.70862 0.00000 204 9 Br 1S 0.00000 0.00000 0.00090 0.00000 0.00000 205 2S 0.00000 0.00000 0.00298 0.00000 0.00000 206 3S 0.00000 0.00000 -0.00868 0.00000 0.00000 207 4S 0.00000 0.00000 -0.00753 0.00000 0.00000 208 5S 0.00000 0.00000 0.01196 0.00000 0.00000 209 6S 0.00000 0.00000 0.04796 0.00000 0.00000 210 7S 0.00000 0.00000 -0.16040 0.00000 0.00000 211 8S 0.00000 0.00000 -0.25022 0.00000 0.00000 212 9S 0.00000 0.00000 0.25365 0.00000 0.00000 213 9PX 0.00000 0.00000 0.00000 0.00000 0.08086 214 9PY 0.40250 -0.81667 0.00000 0.00000 0.00000 215 9PZ 0.00000 0.00000 -0.27350 0.00000 0.00000 216 10PX 0.00000 0.00000 0.00000 0.00000 -0.00007 217 10PY 0.00066 -0.00115 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00079 0.00000 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 -0.00078 220 11PY 0.00545 -0.00987 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00000 0.00689 0.00000 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00324 223 12PY -0.01440 0.02900 0.00000 0.00000 0.00000 224 12PZ 0.00000 0.00000 -0.02085 0.00000 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 -0.01411 226 13PY -0.00977 -0.01942 0.00000 0.00000 0.00000 227 13PZ 0.00000 0.00000 0.02263 0.00000 0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 0.03483 229 14PY 0.02483 0.04524 0.00000 0.00000 0.00000 230 14PZ 0.00000 0.00000 -0.05931 0.00000 0.00000 231 15PX 0.00000 0.00000 0.00000 0.00000 -0.09449 232 15PY 0.04639 -0.29262 0.00000 0.00000 0.00000 233 15PZ 0.00000 0.00000 0.30972 0.00000 0.00000 234 16PX 0.00000 0.00000 0.00000 0.00000 0.15366 235 16PY -0.41243 1.32974 0.00000 0.00000 0.00000 236 16PZ 0.00000 0.00000 -0.21041 0.00000 0.00000 237 17D 0 0.00000 0.00000 -0.04976 0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.03033 239 17D-1 0.00919 0.06687 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00498 0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 -0.01130 0.00000 242 18D 0 0.00000 0.00000 -0.00161 0.00000 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00480 244 18D-1 0.00524 0.00904 0.00000 0.00000 0.00000 245 18D+2 0.00000 0.00000 0.00270 0.00000 0.00000 246 18D-2 0.00000 0.00000 0.00000 -0.00443 0.00000 247 19D 0 0.00000 0.00000 0.02488 0.00000 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 -0.02343 249 19D-1 -0.01557 -0.04556 0.00000 0.00000 0.00000 250 19D+2 0.00000 0.00000 -0.00741 0.00000 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.01309 0.00000 252 20D 0 0.00000 0.00000 0.32668 0.00000 0.00000 253 20D+1 0.00000 0.00000 0.00000 0.00000 -0.17389 254 20D-1 0.04403 -0.56830 0.00000 0.00000 0.00000 255 20D+2 0.00000 0.00000 -0.02564 0.00000 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.08274 0.00000 257 10 H 1S 0.03331 -0.03033 -0.03912 0.00000 0.00000 258 2S 0.13486 0.00311 -0.22055 0.00000 0.00000 259 3S -2.57947 0.84004 2.40604 0.00000 0.00000 260 4PX 0.00000 0.00000 0.00000 -0.03042 0.03516 261 4PY 0.01542 -0.03245 0.01128 0.00000 0.00000 262 4PZ 0.00404 -0.03084 0.01528 0.00000 0.00000 263 11 H 1S -0.01077 0.00374 0.01808 0.00000 0.00000 264 2S -0.30604 -0.47860 -0.34707 0.00000 0.00000 265 3S 0.13999 -0.85409 -1.71021 0.00000 0.00000 266 4PX 0.00000 0.00000 0.00000 -0.00704 -0.04535 267 4PY 0.03064 0.01892 0.01150 0.00000 0.00000 268 4PZ -0.01063 -0.02722 -0.00195 0.00000 0.00000 269 12 H 1S 0.00000 0.00000 -0.01477 0.00000 0.00000 270 2S 0.00000 0.00000 0.24656 0.00000 0.00000 271 3S 0.00000 0.00000 1.42858 0.00000 0.00000 272 4PX 0.00000 0.00000 0.00000 0.00000 -0.03461 273 4PY 0.00296 -0.00308 0.00000 0.00000 0.00000 274 4PZ 0.00000 0.00000 0.00374 0.00000 0.00000 275 13 H 1S 0.01077 -0.00374 0.01808 0.00000 0.00000 276 2S 0.30604 0.47860 -0.34707 0.00000 0.00000 277 3S -0.13999 0.85409 -1.71021 0.00000 0.00000 278 4PX 0.00000 0.00000 0.00000 0.00704 -0.04535 279 4PY 0.03064 0.01892 -0.01150 0.00000 0.00000 280 4PZ 0.01063 0.02722 -0.00195 0.00000 0.00000 136 137 138 139 140 (A1)--V (A2)--V (B2)--V (A1)--V (A1)--V Eigenvalues -- 0.75077 0.76926 0.77987 0.78537 0.78764 1 1 C 1S -0.03061 0.00000 -0.05877 -0.01681 -0.00500 2 2S -0.05741 0.00000 -0.11252 -0.03152 -0.01063 3 2PX 0.00000 0.05978 0.00000 0.00000 0.00000 4 2PY -0.09219 0.00000 -0.00597 -0.01453 0.00550 5 2PZ -0.00755 0.00000 -0.07086 0.03897 0.02580 6 3S 0.43504 0.00000 0.80074 0.23463 0.04329 7 3PX 0.00000 0.21827 0.00000 0.00000 0.00000 8 3PY -0.26398 0.00000 -0.25611 -0.03272 0.06803 9 3PZ -0.09204 0.00000 -0.13618 0.03486 -0.04013 10 4S -3.38473 0.00000 -3.90554 -1.66394 2.21719 11 4PX 0.00000 -0.41806 0.00000 0.00000 0.00000 12 4PY 1.86870 0.00000 -0.11288 0.66406 -0.93158 13 4PZ -0.77272 0.00000 0.99937 -1.02399 1.41522 14 5S -15.99179 0.00000 12.90197 25.68302 4.11469 15 5PX 0.00000 -0.01317 0.00000 0.00000 0.00000 16 5PY 2.01250 0.00000 1.39657 -0.41182 1.74977 17 5PZ -3.92297 0.00000 1.99479 7.25956 -0.86655 18 6D 0 -0.00222 0.00000 0.00141 -0.00243 -0.00060 19 6D+1 0.00000 -0.01186 0.00000 0.00000 0.00000 20 6D-1 0.00399 0.00000 -0.00020 0.00209 -0.00617 21 6D+2 0.00580 0.00000 0.00338 0.00038 -0.00325 22 6D-2 0.00000 -0.01057 0.00000 0.00000 0.00000 23 7D 0 -0.06994 0.00000 0.29514 -0.14239 -0.07622 24 7D+1 0.00000 -0.12573 0.00000 0.00000 0.00000 25 7D-1 -0.26834 0.00000 0.11798 -0.10202 0.05801 26 7D+2 -0.02800 0.00000 -0.02407 -0.01614 -0.12751 27 7D-2 0.00000 -0.43150 0.00000 0.00000 0.00000 28 2 C 1S -0.03009 0.00000 0.00000 -0.02273 -0.01311 29 2S -0.05404 0.00000 0.00000 -0.04359 -0.02712 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY 0.00000 0.00000 0.12228 0.00000 0.00000 32 2PZ -0.01696 0.00000 0.00000 -0.05557 0.00962 33 3S 0.35985 0.00000 0.00000 0.31670 0.15382 34 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 35 3PY 0.00000 0.00000 0.03326 0.00000 0.00000 36 3PZ -0.10345 0.00000 0.00000 -0.22140 0.03216 37 4S -3.35825 0.00000 0.00000 -1.97536 1.69530 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY 0.00000 0.00000 -2.38258 0.00000 0.00000 40 4PZ 0.75441 0.00000 0.00000 0.88771 -1.76655 41 5S -1.43011 0.00000 0.00000 -0.85993 -8.72274 42 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 5PY 0.00000 0.00000 1.58556 0.00000 0.00000 44 5PZ 1.31030 0.00000 0.00000 -1.47148 -0.99552 45 6D 0 0.00453 0.00000 0.00000 0.00056 -0.00414 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00000 -0.00682 0.00000 0.00000 48 6D+2 0.01238 0.00000 0.00000 0.00467 -0.00653 49 6D-2 0.00000 0.00998 0.00000 0.00000 0.00000 50 7D 0 -0.38815 0.00000 0.00000 -0.05364 0.23554 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.00000 -0.57438 0.00000 0.00000 53 7D+2 -0.16961 0.00000 0.00000 -0.10941 -0.04741 54 7D-2 0.00000 -0.18976 0.00000 0.00000 0.00000 55 3 C 1S -0.03061 0.00000 0.05877 -0.01681 -0.00500 56 2S -0.05741 0.00000 0.11252 -0.03152 -0.01063 57 2PX 0.00000 -0.05978 0.00000 0.00000 0.00000 58 2PY 0.09219 0.00000 -0.00597 0.01453 -0.00550 59 2PZ -0.00755 0.00000 0.07086 0.03897 0.02580 60 3S 0.43504 0.00000 -0.80074 0.23463 0.04329 61 3PX 0.00000 -0.21827 0.00000 0.00000 0.00000 62 3PY 0.26398 0.00000 -0.25611 0.03272 -0.06803 63 3PZ -0.09204 0.00000 0.13618 0.03486 -0.04013 64 4S -3.38473 0.00000 3.90554 -1.66394 2.21719 65 4PX 0.00000 0.41806 0.00000 0.00000 0.00000 66 4PY -1.86870 0.00000 -0.11288 -0.66406 0.93158 67 4PZ -0.77272 0.00000 -0.99937 -1.02399 1.41522 68 5S -15.99179 0.00000 -12.90197 25.68302 4.11469 69 5PX 0.00000 0.01317 0.00000 0.00000 0.00000 70 5PY -2.01250 0.00000 1.39657 0.41182 -1.74977 71 5PZ -3.92297 0.00000 -1.99479 7.25956 -0.86655 72 6D 0 -0.00222 0.00000 -0.00141 -0.00243 -0.00060 73 6D+1 0.00000 0.01186 0.00000 0.00000 0.00000 74 6D-1 -0.00399 0.00000 -0.00020 -0.00209 0.00617 75 6D+2 0.00580 0.00000 -0.00338 0.00038 -0.00325 76 6D-2 0.00000 -0.01057 0.00000 0.00000 0.00000 77 7D 0 -0.06994 0.00000 -0.29514 -0.14239 -0.07622 78 7D+1 0.00000 0.12573 0.00000 0.00000 0.00000 79 7D-1 0.26834 0.00000 0.11798 0.10202 -0.05801 80 7D+2 -0.02800 0.00000 0.02407 -0.01614 -0.12751 81 7D-2 0.00000 -0.43150 0.00000 0.00000 0.00000 82 4 C 1S -0.02490 0.00000 0.03213 0.01261 0.02999 83 2S -0.04847 0.00000 0.05996 0.02401 0.05741 84 2PX 0.00000 -0.05844 0.00000 0.00000 0.00000 85 2PY -0.02052 0.00000 0.01637 -0.01329 -0.00583 86 2PZ 0.06220 0.00000 -0.03898 0.04450 -0.01257 87 3S 0.44376 0.00000 -0.34892 -0.16365 -0.41469 88 3PX 0.00000 -0.21716 0.00000 0.00000 0.00000 89 3PY -0.03926 0.00000 -0.10768 -0.03387 0.02613 90 3PZ 0.10198 0.00000 -0.02868 -0.01479 -0.10806 91 4S -1.02325 0.00000 2.63527 0.89785 0.42739 92 4PX 0.00000 0.47214 0.00000 0.00000 0.00000 93 4PY 0.41182 0.00000 -1.62027 0.82018 -1.21365 94 4PZ -2.66234 0.00000 0.61720 -0.95844 1.95952 95 5S 35.29938 0.00000 0.21244 -15.94215 -10.68646 96 5PX 0.00000 -0.26818 0.00000 0.00000 0.00000 97 5PY -3.33251 0.00000 2.04577 -2.42919 3.22882 98 5PZ -8.55757 0.00000 -4.07759 9.61311 -1.80832 99 6D 0 -0.00246 0.00000 -0.00337 0.00017 0.00642 100 6D+1 0.00000 -0.01235 0.00000 0.00000 0.00000 101 6D-1 0.00076 0.00000 -0.00205 0.00391 0.00566 102 6D+2 -0.00154 0.00000 -0.00611 -0.00193 0.00636 103 6D-2 0.00000 -0.00909 0.00000 0.00000 0.00000 104 7D 0 0.30826 0.00000 -0.26033 0.14933 -0.10997 105 7D+1 0.00000 -0.11819 0.00000 0.00000 0.00000 106 7D-1 -0.13715 0.00000 -0.18025 -0.03090 0.14344 107 7D+2 0.32752 0.00000 0.04528 0.10029 0.09120 108 7D-2 0.00000 -0.40993 0.00000 0.00000 0.00000 109 5 C 1S 0.02897 0.00000 0.00000 0.00183 0.02437 110 2S 0.05276 0.00000 0.00000 0.00390 0.05003 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY 0.00000 0.00000 0.11324 0.00000 0.00000 113 2PZ 0.00532 0.00000 0.00000 -0.00540 -0.00783 114 3S -0.30777 0.00000 0.00000 -0.05430 -0.39183 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY 0.00000 0.00000 0.07807 0.00000 0.00000 117 3PZ -0.19796 0.00000 0.00000 0.02512 0.01962 118 4S 2.89436 0.00000 0.00000 1.45520 -1.07235 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY 0.00000 0.00000 -2.61032 0.00000 0.00000 121 4PZ -0.55937 0.00000 0.00000 -0.80675 0.89837 122 5S -22.60845 0.00000 0.00000 -9.41787 12.07375 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 5PY 0.00000 0.00000 4.42333 0.00000 0.00000 125 5PZ 24.36337 0.00000 0.00000 4.74066 -5.21811 126 6D 0 0.00452 0.00000 0.00000 -0.00464 -0.00423 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00000 -0.00548 0.00000 0.00000 129 6D+2 -0.00499 0.00000 0.00000 0.00167 0.00731 130 6D-2 0.00000 0.00920 0.00000 0.00000 0.00000 131 7D 0 -0.03846 0.00000 0.00000 0.04052 -0.04981 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.00000 0.00000 0.46411 0.00000 0.00000 134 7D+2 -0.08666 0.00000 0.00000 -0.03981 0.39565 135 7D-2 0.00000 -0.25356 0.00000 0.00000 0.00000 136 6 C 1S -0.02490 0.00000 -0.03213 0.01261 0.02999 137 2S -0.04847 0.00000 -0.05996 0.02401 0.05741 138 2PX 0.00000 0.05844 0.00000 0.00000 0.00000 139 2PY 0.02052 0.00000 0.01637 0.01329 0.00583 140 2PZ 0.06220 0.00000 0.03898 0.04450 -0.01257 141 3S 0.44376 0.00000 0.34892 -0.16365 -0.41469 142 3PX 0.00000 0.21716 0.00000 0.00000 0.00000 143 3PY 0.03926 0.00000 -0.10768 0.03387 -0.02613 144 3PZ 0.10198 0.00000 0.02868 -0.01479 -0.10806 145 4S -1.02325 0.00000 -2.63527 0.89785 0.42739 146 4PX 0.00000 -0.47214 0.00000 0.00000 0.00000 147 4PY -0.41182 0.00000 -1.62027 -0.82018 1.21365 148 4PZ -2.66234 0.00000 -0.61720 -0.95844 1.95952 149 5S 35.29938 0.00000 -0.21244 -15.94215 -10.68646 150 5PX 0.00000 0.26818 0.00000 0.00000 0.00000 151 5PY 3.33251 0.00000 2.04577 2.42919 -3.22882 152 5PZ -8.55757 0.00000 4.07759 9.61311 -1.80832 153 6D 0 -0.00246 0.00000 0.00337 0.00017 0.00642 154 6D+1 0.00000 0.01235 0.00000 0.00000 0.00000 155 6D-1 -0.00076 0.00000 -0.00205 -0.00391 -0.00566 156 6D+2 -0.00154 0.00000 0.00611 -0.00193 0.00636 157 6D-2 0.00000 -0.00909 0.00000 0.00000 0.00000 158 7D 0 0.30826 0.00000 0.26033 0.14933 -0.10997 159 7D+1 0.00000 0.11819 0.00000 0.00000 0.00000 160 7D-1 0.13715 0.00000 -0.18025 0.03090 -0.14344 161 7D+2 0.32752 0.00000 -0.04528 0.10029 0.09120 162 7D-2 0.00000 -0.40993 0.00000 0.00000 0.00000 163 7 H 1S -0.00258 0.00000 -0.04246 0.02329 0.01856 164 2S 0.85108 0.00000 -0.67781 -0.01970 0.02449 165 3S 0.10074 0.00000 0.40844 -0.24343 0.04007 166 4PX 0.00000 0.06468 0.00000 0.00000 0.00000 167 4PY 0.07491 0.00000 0.00354 -0.01729 -0.03016 168 4PZ -0.03922 0.00000 -0.00030 -0.02003 0.03459 169 8 Mg 1S 0.00115 0.00000 0.00000 0.00391 -0.00062 170 2S 0.00394 0.00000 0.00000 0.01063 -0.00230 171 3S -0.02018 0.00000 0.00000 -0.02828 0.01279 172 4S 0.03533 0.00000 0.00000 -0.06483 -0.02092 173 5S -2.13041 0.00000 0.00000 0.42002 0.53305 174 6S -10.09550 0.00000 0.00000 -5.94120 0.31836 175 7S 0.49552 0.00000 0.00000 -0.02847 -0.61260 176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PY 0.00000 0.00000 -0.14931 0.00000 0.00000 178 7PZ -0.28394 0.00000 0.00000 -0.19331 0.45742 179 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY 0.00000 0.00000 0.00060 0.00000 0.00000 181 8PZ 0.05300 0.00000 0.00000 0.05075 0.06193 182 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 9PY 0.00000 0.00000 0.00356 0.00000 0.00000 184 9PZ 0.08348 0.00000 0.00000 0.09146 0.11381 185 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 186 10PY 0.00000 0.00000 -0.01730 0.00000 0.00000 187 10PZ -0.49604 0.00000 0.00000 -0.83027 -1.04672 188 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 11PY 0.00000 0.00000 0.23058 0.00000 0.00000 190 11PZ 1.32602 0.00000 0.00000 2.39745 2.95335 191 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 192 12PY 0.00000 0.00000 0.15533 0.00000 0.00000 193 12PZ 4.80060 0.00000 0.00000 3.79310 -9.30550 194 13D 0 -0.10542 0.00000 0.00000 -0.21298 -0.24810 195 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 196 13D-1 0.00000 0.00000 -0.02060 0.00000 0.00000 197 13D+2 0.41076 0.00000 0.00000 -0.91510 0.38277 198 13D-2 0.00000 -0.20989 0.00000 0.00000 0.00000 199 14D 0 1.53754 0.00000 0.00000 1.05786 -0.03151 200 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 201 14D-1 0.00000 0.00000 -0.45712 0.00000 0.00000 202 14D+2 -0.58530 0.00000 0.00000 0.79865 -0.26586 203 14D-2 0.00000 0.17632 0.00000 0.00000 0.00000 204 9 Br 1S -0.00115 0.00000 0.00000 -0.00454 -0.00457 205 2S -0.00382 0.00000 0.00000 -0.01498 -0.01504 206 3S 0.01126 0.00000 0.00000 0.04346 0.04316 207 4S 0.00894 0.00000 0.00000 0.03847 0.04082 208 5S -0.01276 0.00000 0.00000 -0.06186 -0.06958 209 6S -0.06781 0.00000 0.00000 -0.24200 -0.22762 210 7S 0.35189 0.00000 0.00000 1.11212 1.01874 211 8S -1.45417 0.00000 0.00000 -2.47212 -1.90251 212 9S -2.34882 0.00000 0.00000 -1.59599 8.23019 213 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 214 9PY 0.00000 0.00000 0.05086 0.00000 0.00000 215 9PZ 0.59298 0.00000 0.00000 0.28574 -2.71083 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00017 0.00000 0.00000 218 10PZ 0.00007 0.00000 0.00000 -0.00120 -0.00210 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00141 0.00000 0.00000 221 11PZ 0.00077 0.00000 0.00000 -0.00993 -0.01739 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00000 -0.00358 0.00000 0.00000 224 12PZ -0.00364 0.00000 0.00000 0.02669 0.04731 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 0.00000 -0.00473 0.00000 0.00000 227 13PZ 0.02006 0.00000 0.00000 0.01463 0.01759 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 0.00000 0.01190 0.00000 0.00000 230 14PZ -0.05307 0.00000 0.00000 -0.04346 -0.05396 231 15PX 0.00000 0.00000 0.00000 0.00000 0.00000 232 15PY 0.00000 0.00000 -0.00522 0.00000 0.00000 233 15PZ 0.18061 0.00000 0.00000 -0.02223 -0.11115 234 16PX 0.00000 0.00000 0.00000 0.00000 0.00000 235 16PY 0.00000 0.00000 0.11998 0.00000 0.00000 236 16PZ 0.33715 0.00000 0.00000 0.93385 0.75082 237 17D 0 -0.02455 0.00000 0.00000 0.00214 -0.00223 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.01058 0.00000 0.00000 240 17D+2 -0.01595 0.00000 0.00000 0.01185 -0.00106 241 17D-2 0.00000 0.00407 0.00000 0.00000 0.00000 242 18D 0 0.00472 0.00000 0.00000 0.01824 0.02274 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00000 0.00144 0.00000 0.00000 245 18D+2 -0.00774 0.00000 0.00000 0.00496 0.00046 246 18D-2 0.00000 0.00210 0.00000 0.00000 0.00000 247 19D 0 0.00155 0.00000 0.00000 -0.03654 -0.04371 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00000 -0.00751 0.00000 0.00000 250 19D+2 0.02188 0.00000 0.00000 -0.01472 -0.00055 251 19D-2 0.00000 -0.00582 0.00000 0.00000 0.00000 252 20D 0 0.17283 0.00000 0.00000 0.00490 0.07357 253 20D+1 0.00000 0.00000 0.00000 0.00000 0.00000 254 20D-1 0.00000 0.00000 -0.08916 0.00000 0.00000 255 20D+2 0.09498 0.00000 0.00000 -0.08446 0.01637 256 20D-2 0.00000 -0.02530 0.00000 0.00000 0.00000 257 10 H 1S -0.00258 0.00000 0.04246 0.02329 0.01856 258 2S 0.85108 0.00000 0.67781 -0.01970 0.02449 259 3S 0.10074 0.00000 -0.40844 -0.24343 0.04007 260 4PX 0.00000 -0.06468 0.00000 0.00000 0.00000 261 4PY -0.07491 0.00000 0.00354 0.01729 0.03016 262 4PZ -0.03922 0.00000 0.00030 -0.02003 0.03459 263 11 H 1S -0.02632 0.00000 0.05075 -0.00227 -0.00305 264 2S 0.49410 0.00000 0.10534 0.25615 -0.40526 265 3S 1.53165 0.00000 -1.07099 -0.06770 -0.29658 266 4PX 0.00000 -0.07004 0.00000 0.00000 0.00000 267 4PY -0.07533 0.00000 0.05133 -0.02459 0.02621 268 4PZ 0.03169 0.00000 -0.03655 0.01004 -0.00857 269 12 H 1S -0.00491 0.00000 0.00000 -0.01821 -0.02263 270 2S 0.79792 0.00000 0.00000 0.16179 -1.14939 271 3S 0.73350 0.00000 0.00000 1.00188 -0.45407 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 -0.01099 0.00000 0.00000 274 4PZ 0.08454 0.00000 0.00000 0.04250 -0.04320 275 13 H 1S -0.02632 0.00000 -0.05075 -0.00227 -0.00305 276 2S 0.49410 0.00000 -0.10534 0.25615 -0.40526 277 3S 1.53165 0.00000 1.07099 -0.06770 -0.29658 278 4PX 0.00000 0.07004 0.00000 0.00000 0.00000 279 4PY 0.07533 0.00000 0.05133 0.02459 -0.02621 280 4PZ 0.03169 0.00000 0.03655 0.01004 -0.00857 141 142 143 144 145 (B2)--V (A1)--V (B2)--V (B1)--V (A1)--V Eigenvalues -- 0.80676 0.80963 0.81580 0.81805 0.82793 1 1 C 1S 0.00678 0.01144 -0.00008 0.00000 0.01177 2 2S 0.01049 0.02421 0.00222 0.00000 0.02235 3 2PX 0.00000 0.00000 0.00000 0.00874 0.00000 4 2PY -0.01786 -0.07806 -0.06357 0.00000 0.05209 5 2PZ 0.11830 0.02535 0.08455 0.00000 0.01640 6 3S -0.07833 -0.30643 -0.06172 0.00000 -0.11335 7 3PX 0.00000 0.00000 0.00000 0.03799 0.00000 8 3PY 0.12903 -0.13999 -0.07551 0.00000 0.11152 9 3PZ 0.23086 -0.05415 -0.03199 0.00000 0.16836 10 4S 3.67958 -0.04136 -1.86097 0.00000 -0.01538 11 4PX 0.00000 0.00000 0.00000 0.31136 0.00000 12 4PY 2.51958 0.37830 2.28660 0.00000 1.45861 13 4PZ -7.43557 -2.93613 -4.01315 0.00000 -1.45260 14 5S 0.11429 -25.60486 -1.93819 0.00000 7.36176 15 5PX 0.00000 0.00000 0.00000 -0.37027 0.00000 16 5PY -11.52696 -5.43732 -10.53724 0.00000 1.34855 17 5PZ 19.53737 -0.23055 16.42041 0.00000 0.76472 18 6D 0 0.01089 -0.00997 -0.00854 0.00000 0.00253 19 6D+1 0.00000 0.00000 0.00000 -0.01543 0.00000 20 6D-1 -0.00714 0.00416 0.00482 0.00000 -0.00293 21 6D+2 -0.00258 -0.00224 0.00220 0.00000 0.00457 22 6D-2 0.00000 0.00000 0.00000 0.00705 0.00000 23 7D 0 -0.41562 -0.19545 -0.26810 0.00000 -0.08557 24 7D+1 0.00000 0.00000 0.00000 -0.14542 0.00000 25 7D-1 -0.11548 -0.16550 -0.31294 0.00000 -0.08483 26 7D+2 -0.34821 -0.38621 -0.13189 0.00000 0.22494 27 7D-2 0.00000 0.00000 0.00000 0.13288 0.00000 28 2 C 1S 0.00000 -0.06751 0.00000 0.00000 -0.01076 29 2S 0.00000 -0.12917 0.00000 0.00000 -0.02221 30 2PX 0.00000 0.00000 0.00000 -0.07448 0.00000 31 2PY -0.11663 0.00000 -0.09913 0.00000 0.00000 32 2PZ 0.00000 -0.07591 0.00000 0.00000 0.00849 33 3S 0.00000 1.01703 0.00000 0.00000 0.32592 34 3PX 0.00000 0.00000 0.00000 -0.28304 0.00000 35 3PY -0.19107 0.00000 0.02077 0.00000 0.00000 36 3PZ 0.00000 -0.51110 0.00000 0.00000 -0.07734 37 4S 0.00000 -6.73224 0.00000 0.00000 -4.40409 38 4PX 0.00000 0.00000 0.00000 0.11110 0.00000 39 4PY 9.11127 0.00000 4.00535 0.00000 0.00000 40 4PZ 0.00000 2.08173 0.00000 0.00000 2.12055 41 5S 0.00000 37.57278 0.00000 0.00000 -3.39592 42 5PX 0.00000 0.00000 0.00000 0.20296 0.00000 43 5PY -22.83403 0.00000 -19.04078 0.00000 0.00000 44 5PZ 0.00000 7.18707 0.00000 0.00000 -0.03356 45 6D 0 0.00000 0.00639 0.00000 0.00000 -0.00347 46 6D+1 0.00000 0.00000 0.00000 0.01902 0.00000 47 6D-1 -0.00668 0.00000 0.00734 0.00000 0.00000 48 6D+2 0.00000 0.00514 0.00000 0.00000 0.00415 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00000 0.04007 0.00000 0.00000 -0.34131 51 7D+1 0.00000 0.00000 0.00000 0.41853 0.00000 52 7D-1 0.57428 0.00000 0.36640 0.00000 0.00000 53 7D+2 0.00000 -0.06252 0.00000 0.00000 0.19820 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S -0.00678 0.01144 0.00008 0.00000 0.01177 56 2S -0.01049 0.02421 -0.00222 0.00000 0.02235 57 2PX 0.00000 0.00000 0.00000 0.00874 0.00000 58 2PY -0.01786 0.07806 -0.06357 0.00000 -0.05209 59 2PZ -0.11830 0.02535 -0.08455 0.00000 0.01640 60 3S 0.07833 -0.30643 0.06172 0.00000 -0.11335 61 3PX 0.00000 0.00000 0.00000 0.03799 0.00000 62 3PY 0.12903 0.13999 -0.07551 0.00000 -0.11152 63 3PZ -0.23086 -0.05415 0.03199 0.00000 0.16836 64 4S -3.67958 -0.04136 1.86097 0.00000 -0.01538 65 4PX 0.00000 0.00000 0.00000 0.31136 0.00000 66 4PY 2.51958 -0.37830 2.28660 0.00000 -1.45861 67 4PZ 7.43557 -2.93613 4.01315 0.00000 -1.45260 68 5S -0.11429 -25.60486 1.93819 0.00000 7.36176 69 5PX 0.00000 0.00000 0.00000 -0.37027 0.00000 70 5PY -11.52696 5.43732 -10.53724 0.00000 -1.34855 71 5PZ -19.53737 -0.23055 -16.42041 0.00000 0.76472 72 6D 0 -0.01089 -0.00997 0.00854 0.00000 0.00253 73 6D+1 0.00000 0.00000 0.00000 -0.01543 0.00000 74 6D-1 -0.00714 -0.00416 0.00482 0.00000 0.00293 75 6D+2 0.00258 -0.00224 -0.00220 0.00000 0.00457 76 6D-2 0.00000 0.00000 0.00000 -0.00705 0.00000 77 7D 0 0.41562 -0.19545 0.26810 0.00000 -0.08557 78 7D+1 0.00000 0.00000 0.00000 -0.14542 0.00000 79 7D-1 -0.11548 0.16550 -0.31294 0.00000 0.08483 80 7D+2 0.34821 -0.38621 0.13189 0.00000 0.22494 81 7D-2 0.00000 0.00000 0.00000 -0.13288 0.00000 82 4 C 1S -0.01082 0.02723 0.02570 0.00000 0.01098 83 2S -0.01868 0.05458 0.04892 0.00000 0.01965 84 2PX 0.00000 0.00000 0.00000 0.05626 0.00000 85 2PY 0.09827 -0.00979 0.02393 0.00000 -0.07290 86 2PZ -0.06031 0.02856 -0.14981 0.00000 -0.07194 87 3S 0.12672 -0.52410 -0.37233 0.00000 -0.14004 88 3PX 0.00000 0.00000 0.00000 0.22074 0.00000 89 3PY 0.20218 -0.09737 -0.10128 0.00000 -0.35308 90 3PZ 0.16596 0.01485 -0.27321 0.00000 -0.12488 91 4S -3.14376 4.65067 1.84047 0.00000 2.05445 92 4PX 0.00000 0.00000 0.00000 -0.63641 0.00000 93 4PY -4.40702 0.10671 -1.12276 0.00000 2.34554 94 4PZ 3.52172 -0.84686 6.29457 0.00000 -0.12613 95 5S 1.75678 7.37115 -10.52709 0.00000 -22.08748 96 5PX 0.00000 0.00000 0.00000 0.52429 0.00000 97 5PY 10.21800 -1.06653 12.79065 0.00000 5.28556 98 5PZ -20.87736 -1.24738 -18.35225 0.00000 -0.54037 99 6D 0 -0.01246 -0.00769 0.00981 0.00000 0.00125 100 6D+1 0.00000 0.00000 0.00000 0.01107 0.00000 101 6D-1 0.00672 0.00063 -0.00196 0.00000 -0.01413 102 6D+2 0.00314 -0.00478 -0.00023 0.00000 0.00026 103 6D-2 0.00000 0.00000 0.00000 0.00327 0.00000 104 7D 0 -0.25215 0.11552 -0.41362 0.00000 -0.13653 105 7D+1 0.00000 0.00000 0.00000 0.47228 0.00000 106 7D-1 -0.40303 0.10678 -0.15709 0.00000 -0.01890 107 7D+2 -0.08349 -0.06555 -0.20149 0.00000 0.07554 108 7D-2 0.00000 0.00000 0.00000 0.12710 0.00000 109 5 C 1S 0.00000 0.00322 0.00000 0.00000 -0.02188 110 2S 0.00000 0.00272 0.00000 0.00000 -0.04531 111 2PX 0.00000 0.00000 0.00000 -0.06180 0.00000 112 2PY 0.10512 0.00000 0.14266 0.00000 0.00000 113 2PZ 0.00000 0.03943 0.00000 0.00000 -0.06417 114 3S 0.00000 0.12011 0.00000 0.00000 0.42403 115 3PX 0.00000 0.00000 0.00000 -0.29794 0.00000 116 3PY -0.07411 0.00000 0.15839 0.00000 0.00000 117 3PZ 0.00000 0.10095 0.00000 0.00000 -0.20834 118 4S 0.00000 -1.42861 0.00000 0.00000 1.41569 119 4PX 0.00000 0.00000 0.00000 0.87596 0.00000 120 4PY -4.16371 0.00000 -6.12300 0.00000 0.00000 121 4PZ 0.00000 0.75593 0.00000 0.00000 -0.07958 122 5S 0.00000 -8.32718 0.00000 0.00000 30.44595 123 5PX 0.00000 0.00000 0.00000 -0.43697 0.00000 124 5PY 23.07965 0.00000 23.20877 0.00000 0.00000 125 5PZ 0.00000 -2.95248 0.00000 0.00000 -5.73523 126 6D 0 0.00000 0.00713 0.00000 0.00000 -0.01471 127 6D+1 0.00000 0.00000 0.00000 0.00678 0.00000 128 6D-1 0.00249 0.00000 0.00588 0.00000 0.00000 129 6D+2 0.00000 -0.00524 0.00000 0.00000 -0.01380 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00000 0.12015 0.00000 0.00000 0.03538 132 7D+1 0.00000 0.00000 0.00000 0.11256 0.00000 133 7D-1 0.47957 0.00000 0.49090 0.00000 0.00000 134 7D+2 0.00000 0.16400 0.00000 0.00000 0.17558 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S 0.01082 0.02723 -0.02570 0.00000 0.01098 137 2S 0.01868 0.05458 -0.04892 0.00000 0.01965 138 2PX 0.00000 0.00000 0.00000 0.05626 0.00000 139 2PY 0.09827 0.00979 0.02393 0.00000 0.07290 140 2PZ 0.06031 0.02856 0.14981 0.00000 -0.07194 141 3S -0.12672 -0.52410 0.37233 0.00000 -0.14004 142 3PX 0.00000 0.00000 0.00000 0.22074 0.00000 143 3PY 0.20218 0.09737 -0.10128 0.00000 0.35308 144 3PZ -0.16596 0.01485 0.27321 0.00000 -0.12488 145 4S 3.14376 4.65067 -1.84047 0.00000 2.05445 146 4PX 0.00000 0.00000 0.00000 -0.63641 0.00000 147 4PY -4.40702 -0.10671 -1.12276 0.00000 -2.34554 148 4PZ -3.52172 -0.84686 -6.29457 0.00000 -0.12613 149 5S -1.75678 7.37115 10.52709 0.00000 -22.08748 150 5PX 0.00000 0.00000 0.00000 0.52429 0.00000 151 5PY 10.21800 1.06653 12.79065 0.00000 -5.28556 152 5PZ 20.87736 -1.24738 18.35225 0.00000 -0.54037 153 6D 0 0.01246 -0.00769 -0.00981 0.00000 0.00125 154 6D+1 0.00000 0.00000 0.00000 0.01107 0.00000 155 6D-1 0.00672 -0.00063 -0.00196 0.00000 0.01413 156 6D+2 -0.00314 -0.00478 0.00023 0.00000 0.00026 157 6D-2 0.00000 0.00000 0.00000 -0.00327 0.00000 158 7D 0 0.25215 0.11552 0.41362 0.00000 -0.13653 159 7D+1 0.00000 0.00000 0.00000 0.47228 0.00000 160 7D-1 -0.40303 -0.10678 -0.15709 0.00000 0.01890 161 7D+2 0.08349 -0.06555 0.20149 0.00000 0.07554 162 7D-2 0.00000 0.00000 0.00000 -0.12710 0.00000 163 7 H 1S -0.00875 -0.00030 -0.00196 0.00000 0.01646 164 2S -0.98621 -0.43204 0.73095 0.00000 -0.46045 165 3S -1.39825 -0.26769 1.22509 0.00000 -1.19341 166 4PX 0.00000 0.00000 0.00000 0.03970 0.00000 167 4PY -0.05667 -0.03790 0.04512 0.00000 -0.05942 168 4PZ 0.02508 0.00903 -0.05537 0.00000 0.02625 169 8 Mg 1S 0.00000 -0.00017 0.00000 0.00000 0.00013 170 2S 0.00000 -0.00049 0.00000 0.00000 0.00039 171 3S 0.00000 0.00163 0.00000 0.00000 -0.00177 172 4S 0.00000 0.00064 0.00000 0.00000 0.00453 173 5S 0.00000 0.28185 0.00000 0.00000 -0.47142 174 6S 0.00000 3.35164 0.00000 0.00000 0.70147 175 7S 0.00000 -0.20146 0.00000 0.00000 -0.44723 176 7PX 0.00000 0.00000 0.00000 -0.06500 0.00000 177 7PY 0.12211 0.00000 -0.22769 0.00000 0.00000 178 7PZ 0.00000 0.14079 0.00000 0.00000 0.31416 179 8PX 0.00000 0.00000 0.00000 -0.00552 0.00000 180 8PY -0.01027 0.00000 -0.02751 0.00000 0.00000 181 8PZ 0.00000 -0.03869 0.00000 0.00000 0.01910 182 9PX 0.00000 0.00000 0.00000 -0.00872 0.00000 183 9PY -0.01909 0.00000 -0.06145 0.00000 0.00000 184 9PZ 0.00000 -0.07022 0.00000 0.00000 0.03238 185 10PX 0.00000 0.00000 0.00000 0.07381 0.00000 186 10PY 0.21063 0.00000 0.61665 0.00000 0.00000 187 10PZ 0.00000 0.62711 0.00000 0.00000 -0.25467 188 11PX 0.00000 0.00000 0.00000 -0.20949 0.00000 189 11PY -0.27752 0.00000 -0.72141 0.00000 0.00000 190 11PZ 0.00000 -1.60534 0.00000 0.00000 0.93391 191 12PX 0.00000 0.00000 0.00000 0.06295 0.00000 192 12PY 0.06694 0.00000 0.46125 0.00000 0.00000 193 12PZ 0.00000 -3.52069 0.00000 0.00000 -3.62157 194 13D 0 0.00000 0.18438 0.00000 0.00000 -0.16724 195 13D+1 0.00000 0.00000 0.00000 0.28232 0.00000 196 13D-1 -0.13273 0.00000 0.52800 0.00000 0.00000 197 13D+2 0.00000 0.11831 0.00000 0.00000 0.23368 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00000 -0.75034 0.00000 0.00000 0.50179 200 14D+1 0.00000 0.00000 0.00000 0.40479 0.00000 201 14D-1 -0.06437 0.00000 -0.05831 0.00000 0.00000 202 14D+2 0.00000 -0.08028 0.00000 0.00000 -0.35347 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 0.00212 0.00000 0.00000 -0.00148 205 2S 0.00000 0.00700 0.00000 0.00000 -0.00488 206 3S 0.00000 -0.02021 0.00000 0.00000 0.01402 207 4S 0.00000 -0.01849 0.00000 0.00000 0.01312 208 5S 0.00000 0.03062 0.00000 0.00000 -0.02217 209 6S 0.00000 0.11023 0.00000 0.00000 -0.07522 210 7S 0.00000 -0.52486 0.00000 0.00000 0.35586 211 8S 0.00000 1.40967 0.00000 0.00000 -0.91075 212 9S 0.00000 2.30235 0.00000 0.00000 3.00341 213 9PX 0.00000 0.00000 0.00000 0.07042 0.00000 214 9PY -0.09920 0.00000 0.03538 0.00000 0.00000 215 9PZ 0.00000 -0.56161 0.00000 0.00000 -1.00032 216 10PX 0.00000 0.00000 0.00000 0.00029 0.00000 217 10PY -0.00001 0.00000 0.00029 0.00000 0.00000 218 10PZ 0.00000 0.00088 0.00000 0.00000 -0.00057 219 11PX 0.00000 0.00000 0.00000 0.00259 0.00000 220 11PY -0.00010 0.00000 0.00272 0.00000 0.00000 221 11PZ 0.00000 0.00726 0.00000 0.00000 -0.00469 222 12PX 0.00000 0.00000 0.00000 -0.00820 0.00000 223 12PY 0.00041 0.00000 -0.00931 0.00000 0.00000 224 12PZ 0.00000 -0.01926 0.00000 0.00000 0.01258 225 13PX 0.00000 0.00000 0.00000 0.01245 0.00000 226 13PY -0.00186 0.00000 0.02233 0.00000 0.00000 227 13PZ 0.00000 -0.01417 0.00000 0.00000 0.00765 228 14PX 0.00000 0.00000 0.00000 -0.03009 0.00000 229 14PY 0.00483 0.00000 -0.05391 0.00000 0.00000 230 14PZ 0.00000 0.04161 0.00000 0.00000 -0.02370 231 15PX 0.00000 0.00000 0.00000 0.11986 0.00000 232 15PY -0.01499 0.00000 0.16976 0.00000 0.00000 233 15PZ 0.00000 -0.02034 0.00000 0.00000 0.00916 234 16PX 0.00000 0.00000 0.00000 -0.35592 0.00000 235 16PY 0.05102 0.00000 -0.30644 0.00000 0.00000 236 16PZ 0.00000 -0.51471 0.00000 0.00000 0.28352 237 17D 0 0.00000 0.01295 0.00000 0.00000 -0.00504 238 17D+1 0.00000 0.00000 0.00000 -0.03264 0.00000 239 17D-1 0.00551 0.00000 -0.04415 0.00000 0.00000 240 17D+2 0.00000 -0.00018 0.00000 0.00000 -0.01006 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 -0.01097 0.00000 0.00000 0.00897 243 18D+1 0.00000 0.00000 0.00000 -0.00963 0.00000 244 18D-1 0.00045 0.00000 -0.01388 0.00000 0.00000 245 18D+2 0.00000 0.00031 0.00000 0.00000 -0.00621 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.01575 0.00000 0.00000 -0.01552 248 19D+1 0.00000 0.00000 0.00000 0.03461 0.00000 249 19D-1 -0.00355 0.00000 0.04918 0.00000 0.00000 250 19D+2 0.00000 -0.00056 0.00000 0.00000 0.01681 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00000 -0.11867 0.00000 0.00000 0.06247 253 20D+1 0.00000 0.00000 0.00000 0.20791 0.00000 254 20D-1 -0.03988 0.00000 0.23444 0.00000 0.00000 255 20D+2 0.00000 0.00464 0.00000 0.00000 0.05533 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.00875 -0.00030 0.00196 0.00000 0.01646 258 2S 0.98621 -0.43204 -0.73095 0.00000 -0.46045 259 3S 1.39825 -0.26769 -1.22509 0.00000 -1.19341 260 4PX 0.00000 0.00000 0.00000 0.03970 0.00000 261 4PY -0.05667 0.03790 0.04512 0.00000 0.05942 262 4PZ -0.02508 0.00903 0.05537 0.00000 0.02625 263 11 H 1S 0.01348 -0.01598 -0.00404 0.00000 0.03807 264 2S 0.96884 -0.85678 -0.22639 0.00000 0.74857 265 3S 0.88098 0.12962 -0.25668 0.00000 -0.52939 266 4PX 0.00000 0.00000 0.00000 0.01623 0.00000 267 4PY -0.03733 0.01975 0.01896 0.00000 0.00494 268 4PZ 0.04841 -0.02066 0.00280 0.00000 -0.00805 269 12 H 1S 0.00000 -0.04230 0.00000 0.00000 0.03759 270 2S 0.00000 0.81223 0.00000 0.00000 1.69627 271 3S 0.00000 1.66849 0.00000 0.00000 0.77195 272 4PX 0.00000 0.00000 0.00000 -0.11627 0.00000 273 4PY 0.03310 0.00000 -0.00061 0.00000 0.00000 274 4PZ 0.00000 0.12480 0.00000 0.00000 0.06490 275 13 H 1S -0.01348 -0.01598 0.00404 0.00000 0.03807 276 2S -0.96884 -0.85678 0.22639 0.00000 0.74857 277 3S -0.88098 0.12962 0.25668 0.00000 -0.52939 278 4PX 0.00000 0.00000 0.00000 0.01623 0.00000 279 4PY -0.03733 -0.01975 0.01896 0.00000 -0.00494 280 4PZ -0.04841 -0.02066 -0.00280 0.00000 -0.00805 146 147 148 149 150 (A2)--V (A1)--V (B2)--V (A1)--V (B1)--V Eigenvalues -- 0.84301 0.84991 0.86027 0.91800 0.94536 1 1 C 1S 0.00000 0.03264 -0.02684 -0.01291 0.00000 2 2S 0.00000 0.06097 -0.05348 -0.02421 0.00000 3 2PX 0.05247 0.00000 0.00000 0.00000 -0.03128 4 2PY 0.00000 -0.02471 -0.04562 0.03149 0.00000 5 2PZ 0.00000 -0.00536 0.03844 0.06452 0.00000 6 3S 0.00000 -0.48516 0.58506 0.17806 0.00000 7 3PX 0.20571 0.00000 0.00000 0.00000 -0.11066 8 3PY 0.00000 0.14396 -0.19501 0.17892 0.00000 9 3PZ 0.00000 -0.00462 -0.13823 -0.03896 0.00000 10 4S 0.00000 1.09749 -5.86167 1.51475 0.00000 11 4PX 0.09107 0.00000 0.00000 0.00000 0.33015 12 4PY 0.00000 -3.41014 3.20774 2.32281 0.00000 13 4PZ 0.00000 -0.69742 -2.08191 0.32535 0.00000 14 5S 0.00000 -67.92718 14.00783 10.21997 0.00000 15 5PX -0.03943 0.00000 0.00000 0.00000 -0.40864 16 5PY 0.00000 -9.54132 1.53211 0.28268 0.00000 17 5PZ 0.00000 -7.83930 3.56697 2.38832 0.00000 18 6D 0 0.00000 0.00036 -0.00778 -0.00599 0.00000 19 6D+1 0.00322 0.00000 0.00000 0.00000 0.00941 20 6D-1 0.00000 -0.01054 -0.00357 -0.00433 0.00000 21 6D+2 0.00000 -0.00064 -0.00424 0.00299 0.00000 22 6D-2 -0.01339 0.00000 0.00000 0.00000 0.00277 23 7D 0 0.00000 -0.03160 -0.41327 -0.15218 0.00000 24 7D+1 0.11069 0.00000 0.00000 0.00000 0.55258 25 7D-1 0.00000 0.12727 -0.15327 -0.34974 0.00000 26 7D+2 0.00000 -0.13426 0.01205 0.04881 0.00000 27 7D-2 -0.27676 0.00000 0.00000 0.00000 -0.12849 28 2 C 1S 0.00000 -0.03895 0.00000 -0.01618 0.00000 29 2S 0.00000 -0.07612 0.00000 -0.03365 0.00000 30 2PX 0.00000 0.00000 0.00000 0.00000 0.03146 31 2PY 0.00000 0.00000 -0.03460 0.00000 0.00000 32 2PZ 0.00000 0.12826 0.00000 0.02936 0.00000 33 3S 0.00000 0.69155 0.00000 0.33965 0.00000 34 3PX 0.00000 0.00000 0.00000 0.00000 0.13806 35 3PY 0.00000 0.00000 0.04057 0.00000 0.00000 36 3PZ 0.00000 0.28580 0.00000 0.10037 0.00000 37 4S 0.00000 1.27279 0.00000 -4.12112 0.00000 38 4PX 0.00000 0.00000 0.00000 0.00000 0.28593 39 4PY 0.00000 0.00000 0.50990 0.00000 0.00000 40 4PZ 0.00000 1.93388 0.00000 -4.32862 0.00000 41 5S 0.00000 60.53263 0.00000 -5.22371 0.00000 42 5PX 0.00000 0.00000 0.00000 0.00000 0.20407 43 5PY 0.00000 0.00000 -0.18141 0.00000 0.00000 44 5PZ 0.00000 11.78809 0.00000 -2.14118 0.00000 45 6D 0 0.00000 -0.00678 0.00000 -0.00752 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00151 47 6D-1 0.00000 0.00000 -0.00868 0.00000 0.00000 48 6D+2 0.00000 -0.00873 0.00000 -0.00508 0.00000 49 6D-2 0.01829 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00000 -0.29783 0.00000 0.17674 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.16824 52 7D-1 0.00000 0.00000 0.03392 0.00000 0.00000 53 7D+2 0.00000 0.15093 0.00000 0.15262 0.00000 54 7D-2 0.49596 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.00000 0.03264 0.02684 -0.01291 0.00000 56 2S 0.00000 0.06097 0.05348 -0.02421 0.00000 57 2PX -0.05247 0.00000 0.00000 0.00000 -0.03128 58 2PY 0.00000 0.02471 -0.04562 -0.03149 0.00000 59 2PZ 0.00000 -0.00536 -0.03844 0.06452 0.00000 60 3S 0.00000 -0.48516 -0.58506 0.17806 0.00000 61 3PX -0.20571 0.00000 0.00000 0.00000 -0.11066 62 3PY 0.00000 -0.14396 -0.19501 -0.17892 0.00000 63 3PZ 0.00000 -0.00462 0.13823 -0.03896 0.00000 64 4S 0.00000 1.09749 5.86167 1.51475 0.00000 65 4PX -0.09107 0.00000 0.00000 0.00000 0.33015 66 4PY 0.00000 3.41014 3.20774 -2.32281 0.00000 67 4PZ 0.00000 -0.69742 2.08191 0.32535 0.00000 68 5S 0.00000 -67.92718 -14.00783 10.21997 0.00000 69 5PX 0.03943 0.00000 0.00000 0.00000 -0.40864 70 5PY 0.00000 9.54132 1.53211 -0.28268 0.00000 71 5PZ 0.00000 -7.83930 -3.56697 2.38832 0.00000 72 6D 0 0.00000 0.00036 0.00778 -0.00599 0.00000 73 6D+1 -0.00322 0.00000 0.00000 0.00000 0.00941 74 6D-1 0.00000 0.01054 -0.00357 0.00433 0.00000 75 6D+2 0.00000 -0.00064 0.00424 0.00299 0.00000 76 6D-2 -0.01339 0.00000 0.00000 0.00000 -0.00277 77 7D 0 0.00000 -0.03160 0.41327 -0.15218 0.00000 78 7D+1 -0.11069 0.00000 0.00000 0.00000 0.55258 79 7D-1 0.00000 -0.12727 -0.15327 0.34974 0.00000 80 7D+2 0.00000 -0.13426 -0.01205 0.04881 0.00000 81 7D-2 -0.27676 0.00000 0.00000 0.00000 0.12849 82 4 C 1S 0.00000 -0.03111 -0.04544 0.01881 0.00000 83 2S 0.00000 -0.05840 -0.09116 0.03715 0.00000 84 2PX 0.05261 0.00000 0.00000 0.00000 0.00026 85 2PY 0.00000 -0.08166 0.02952 -0.05163 0.00000 86 2PZ 0.00000 -0.04799 -0.04714 0.05372 0.00000 87 3S 0.00000 0.50018 0.85957 -0.25366 0.00000 88 3PX 0.20020 0.00000 0.00000 0.00000 0.01370 89 3PY 0.00000 -0.11475 0.22511 -0.17106 0.00000 90 3PZ 0.00000 -0.10929 0.00103 0.09435 0.00000 91 4S 0.00000 -0.06792 -6.36907 0.25546 0.00000 92 4PX 0.07078 0.00000 0.00000 0.00000 -1.13807 93 4PY 0.00000 -3.81922 -2.08301 0.29803 0.00000 94 4PZ 0.00000 -0.01542 2.86792 -0.80656 0.00000 95 5S 0.00000 68.42211 3.55532 -7.40653 0.00000 96 5PX -0.04324 0.00000 0.00000 0.00000 0.84856 97 5PY 0.00000 -9.26924 -0.42898 -0.29355 0.00000 98 5PZ 0.00000 -8.39706 -4.78871 3.23673 0.00000 99 6D 0 0.00000 -0.00088 0.00823 -0.00313 0.00000 100 6D+1 -0.00344 0.00000 0.00000 0.00000 -0.01507 101 6D-1 0.00000 0.00060 -0.00157 -0.00396 0.00000 102 6D+2 0.00000 0.00255 0.00201 0.00381 0.00000 103 6D-2 0.01378 0.00000 0.00000 0.00000 0.00577 104 7D 0 0.00000 0.00296 -0.24879 -0.02847 0.00000 105 7D+1 -0.11459 0.00000 0.00000 0.00000 -0.07981 106 7D-1 0.00000 -0.36673 0.11442 0.13178 0.00000 107 7D+2 0.00000 0.31390 -0.01005 0.25979 0.00000 108 7D-2 0.31025 0.00000 0.00000 0.00000 0.43972 109 5 C 1S 0.00000 0.01076 0.00000 0.02631 0.00000 110 2S 0.00000 0.01841 0.00000 0.04784 0.00000 111 2PX 0.00000 0.00000 0.00000 0.00000 0.02237 112 2PY 0.00000 0.00000 -0.06685 0.00000 0.00000 113 2PZ 0.00000 0.08048 0.00000 -0.08965 0.00000 114 3S 0.00000 -0.02798 0.00000 -0.24688 0.00000 115 3PX 0.00000 0.00000 0.00000 0.00000 -0.04359 116 3PY 0.00000 0.00000 -0.08397 0.00000 0.00000 117 3PZ 0.00000 0.16280 0.00000 -0.33215 0.00000 118 4S 0.00000 -5.34658 0.00000 2.99052 0.00000 119 4PX 0.00000 0.00000 0.00000 0.00000 1.78721 120 4PY 0.00000 0.00000 0.74394 0.00000 0.00000 121 4PZ 0.00000 1.43472 0.00000 1.11154 0.00000 122 5S 0.00000 -55.80148 0.00000 -6.95827 0.00000 123 5PX 0.00000 0.00000 0.00000 0.00000 -1.26499 124 5PY 0.00000 0.00000 8.80420 0.00000 0.00000 125 5PZ 0.00000 15.18506 0.00000 -4.83351 0.00000 126 6D 0 0.00000 -0.00497 0.00000 0.01402 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.02789 128 6D-1 0.00000 0.00000 -0.00057 0.00000 0.00000 129 6D+2 0.00000 0.00103 0.00000 -0.00137 0.00000 130 6D-2 -0.01857 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00000 0.06360 0.00000 -0.21252 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.13949 133 7D-1 0.00000 0.00000 -0.05464 0.00000 0.00000 134 7D+2 0.00000 0.03389 0.00000 0.15156 0.00000 135 7D-2 -0.47463 0.00000 0.00000 0.00000 0.00000 136 6 C 1S 0.00000 -0.03111 0.04544 0.01881 0.00000 137 2S 0.00000 -0.05840 0.09116 0.03715 0.00000 138 2PX -0.05261 0.00000 0.00000 0.00000 0.00026 139 2PY 0.00000 0.08166 0.02952 0.05163 0.00000 140 2PZ 0.00000 -0.04799 0.04714 0.05372 0.00000 141 3S 0.00000 0.50018 -0.85957 -0.25366 0.00000 142 3PX -0.20020 0.00000 0.00000 0.00000 0.01370 143 3PY 0.00000 0.11475 0.22511 0.17106 0.00000 144 3PZ 0.00000 -0.10929 -0.00103 0.09435 0.00000 145 4S 0.00000 -0.06792 6.36907 0.25546 0.00000 146 4PX -0.07078 0.00000 0.00000 0.00000 -1.13807 147 4PY 0.00000 3.81922 -2.08301 -0.29803 0.00000 148 4PZ 0.00000 -0.01542 -2.86792 -0.80656 0.00000 149 5S 0.00000 68.42211 -3.55532 -7.40653 0.00000 150 5PX 0.04324 0.00000 0.00000 0.00000 0.84856 151 5PY 0.00000 9.26924 -0.42898 0.29355 0.00000 152 5PZ 0.00000 -8.39706 4.78871 3.23673 0.00000 153 6D 0 0.00000 -0.00088 -0.00823 -0.00313 0.00000 154 6D+1 0.00344 0.00000 0.00000 0.00000 -0.01507 155 6D-1 0.00000 -0.00060 -0.00157 0.00396 0.00000 156 6D+2 0.00000 0.00255 -0.00201 0.00381 0.00000 157 6D-2 0.01378 0.00000 0.00000 0.00000 -0.00577 158 7D 0 0.00000 0.00296 0.24879 -0.02847 0.00000 159 7D+1 0.11459 0.00000 0.00000 0.00000 -0.07981 160 7D-1 0.00000 0.36673 0.11442 -0.13178 0.00000 161 7D+2 0.00000 0.31390 0.01005 0.25979 0.00000 162 7D-2 0.31025 0.00000 0.00000 0.00000 -0.43972 163 7 H 1S 0.00000 0.02647 0.03133 0.03224 0.00000 164 2S 0.00000 1.98354 -0.37703 0.45466 0.00000 165 3S 0.00000 -0.11256 -1.37547 -0.24286 0.00000 166 4PX -0.08262 0.00000 0.00000 0.00000 -0.03221 167 4PY 0.00000 0.07790 -0.05255 -0.02165 0.00000 168 4PZ 0.00000 -0.03538 0.01926 -0.00031 0.00000 169 8 Mg 1S 0.00000 0.00248 0.00000 -0.00142 0.00000 170 2S 0.00000 0.00727 0.00000 -0.00320 0.00000 171 3S 0.00000 -0.02521 0.00000 0.00073 0.00000 172 4S 0.00000 -0.01501 0.00000 0.06788 0.00000 173 5S 0.00000 -0.25068 0.00000 0.20823 0.00000 174 6S 0.00000 -0.31438 0.00000 -1.28118 0.00000 175 7S 0.00000 0.19926 0.00000 -0.20906 0.00000 176 7PX 0.00000 0.00000 0.00000 0.00000 -0.08133 177 7PY 0.00000 0.00000 0.18454 0.00000 0.00000 178 7PZ 0.00000 -0.06375 0.00000 0.10308 0.00000 179 8PX 0.00000 0.00000 0.00000 0.00000 0.02483 180 8PY 0.00000 0.00000 -0.03382 0.00000 0.00000 181 8PZ 0.00000 -0.00682 0.00000 0.02428 0.00000 182 9PX 0.00000 0.00000 0.00000 0.00000 0.03790 183 9PY 0.00000 0.00000 -0.06078 0.00000 0.00000 184 9PZ 0.00000 -0.02064 0.00000 0.03091 0.00000 185 10PX 0.00000 0.00000 0.00000 0.00000 -0.23818 186 10PY 0.00000 0.00000 0.57164 0.00000 0.00000 187 10PZ 0.00000 0.26337 0.00000 0.07961 0.00000 188 11PX 0.00000 0.00000 0.00000 0.00000 -0.04811 189 11PY 0.00000 0.00000 -1.54049 0.00000 0.00000 190 11PZ 0.00000 -0.56341 0.00000 -1.58767 0.00000 191 12PX 0.00000 0.00000 0.00000 0.00000 0.27988 192 12PY 0.00000 0.00000 -1.09156 0.00000 0.00000 193 12PZ 0.00000 4.03471 0.00000 -4.94674 0.00000 194 13D 0 0.00000 -0.04060 0.00000 0.50347 0.00000 195 13D+1 0.00000 0.00000 0.00000 0.00000 0.72775 196 13D-1 0.00000 0.00000 -0.17905 0.00000 0.00000 197 13D+2 0.00000 -0.12856 0.00000 -0.21798 0.00000 198 13D-2 0.16764 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00000 0.46475 0.00000 -2.63315 0.00000 200 14D+1 0.00000 0.00000 0.00000 0.00000 0.07479 201 14D-1 0.00000 0.00000 1.85387 0.00000 0.00000 202 14D+2 0.00000 0.09750 0.00000 0.14974 0.00000 203 14D-2 -0.01096 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 -0.00055 0.00000 0.00626 0.00000 205 2S 0.00000 -0.00183 0.00000 0.02068 0.00000 206 3S 0.00000 0.00541 0.00000 -0.06014 0.00000 207 4S 0.00000 0.00414 0.00000 -0.05281 0.00000 208 5S 0.00000 -0.00566 0.00000 0.08432 0.00000 209 6S 0.00000 -0.03361 0.00000 0.34445 0.00000 210 7S 0.00000 0.15827 0.00000 -1.68598 0.00000 211 8S 0.00000 -0.37238 0.00000 4.06999 0.00000 212 9S 0.00000 -3.73508 0.00000 5.15796 0.00000 213 9PX 0.00000 0.00000 0.00000 0.00000 0.02642 214 9PY 0.00000 0.00000 0.21548 0.00000 0.00000 215 9PZ 0.00000 1.07556 0.00000 -1.33765 0.00000 216 10PX 0.00000 0.00000 0.00000 0.00000 -0.00029 217 10PY 0.00000 0.00000 0.00032 0.00000 0.00000 218 10PZ 0.00000 -0.00027 0.00000 0.00139 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 -0.00211 220 11PY 0.00000 0.00000 0.00280 0.00000 0.00000 221 11PZ 0.00000 -0.00223 0.00000 0.01161 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00398 223 12PY 0.00000 0.00000 -0.00879 0.00000 0.00000 224 12PZ 0.00000 0.00627 0.00000 -0.03244 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 0.02563 226 13PY 0.00000 0.00000 0.01230 0.00000 0.00000 227 13PZ 0.00000 -0.00050 0.00000 -0.00288 0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 -0.06402 229 14PY 0.00000 0.00000 -0.02925 0.00000 0.00000 230 14PZ 0.00000 0.00169 0.00000 0.01671 0.00000 231 15PX 0.00000 0.00000 0.00000 0.00000 0.10684 232 15PY 0.00000 0.00000 0.12967 0.00000 0.00000 233 15PZ 0.00000 -0.05614 0.00000 0.13285 0.00000 234 16PX 0.00000 0.00000 0.00000 0.00000 -0.23677 235 16PY 0.00000 0.00000 -0.70606 0.00000 0.00000 236 16PZ 0.00000 0.26357 0.00000 -1.88599 0.00000 237 17D 0 0.00000 0.00298 0.00000 -0.02253 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 -0.03681 239 17D-1 0.00000 0.00000 -0.03682 0.00000 0.00000 240 17D+2 0.00000 0.00262 0.00000 -0.00015 0.00000 241 17D-2 0.00374 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 -0.00102 0.00000 -0.02863 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 -0.01275 244 18D-1 0.00000 0.00000 -0.01201 0.00000 0.00000 245 18D+2 0.00000 0.00171 0.00000 -0.00079 0.00000 246 18D-2 0.00310 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00058 0.00000 0.06814 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.04610 249 19D-1 0.00000 0.00000 0.04112 0.00000 0.00000 250 19D+2 0.00000 -0.00456 0.00000 0.00170 0.00000 251 19D-2 -0.00791 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00000 -0.02838 0.00000 0.13841 0.00000 253 20D+1 0.00000 0.00000 0.00000 0.00000 0.20134 254 20D-1 0.00000 0.00000 0.29374 0.00000 0.00000 255 20D+2 0.00000 -0.01501 0.00000 -0.00589 0.00000 256 20D-2 -0.01332 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.00000 0.02647 -0.03133 0.03224 0.00000 258 2S 0.00000 1.98354 0.37703 0.45466 0.00000 259 3S 0.00000 -0.11256 1.37547 -0.24286 0.00000 260 4PX 0.08262 0.00000 0.00000 0.00000 -0.03221 261 4PY 0.00000 -0.07790 -0.05255 0.02165 0.00000 262 4PZ 0.00000 -0.03538 -0.01926 -0.00031 0.00000 263 11 H 1S 0.00000 -0.00050 -0.00557 0.01336 0.00000 264 2S 0.00000 -1.44027 -1.29654 0.93977 0.00000 265 3S 0.00000 -0.53497 -1.00241 0.31689 0.00000 266 4PX -0.07801 0.00000 0.00000 0.00000 -0.04076 267 4PY 0.00000 0.08305 0.07334 -0.02725 0.00000 268 4PZ 0.00000 -0.03812 -0.03555 0.00426 0.00000 269 12 H 1S 0.00000 0.00670 0.00000 -0.02229 0.00000 270 2S 0.00000 1.28932 0.00000 -1.10199 0.00000 271 3S 0.00000 -0.47011 0.00000 -1.16934 0.00000 272 4PX 0.00000 0.00000 0.00000 0.00000 0.01238 273 4PY 0.00000 0.00000 0.01405 0.00000 0.00000 274 4PZ 0.00000 0.05989 0.00000 -0.03142 0.00000 275 13 H 1S 0.00000 -0.00050 0.00557 0.01336 0.00000 276 2S 0.00000 -1.44027 1.29654 0.93977 0.00000 277 3S 0.00000 -0.53497 1.00241 0.31689 0.00000 278 4PX 0.07801 0.00000 0.00000 0.00000 -0.04076 279 4PY 0.00000 -0.08305 0.07334 0.02725 0.00000 280 4PZ 0.00000 -0.03812 0.03555 0.00426 0.00000 151 152 153 154 155 (A1)--V (B2)--V (B2)--V (A1)--V (A2)--V Eigenvalues -- 0.97815 0.98274 1.03910 1.05435 1.12142 1 1 C 1S -0.00051 0.01090 0.03200 0.01645 0.00000 2 2S 0.00111 0.02278 0.06993 0.03584 0.00000 3 2PX 0.00000 0.00000 0.00000 0.00000 0.04091 4 2PY 0.03925 0.01327 -0.00721 -0.00101 0.00000 5 2PZ 0.00616 -0.00150 0.00003 -0.01646 0.00000 6 3S -0.02953 -0.26813 -0.80387 -0.47564 0.00000 7 3PX 0.00000 0.00000 0.00000 0.00000 0.10656 8 3PY 0.27518 -0.07573 -0.10255 0.06143 0.00000 9 3PZ -0.22919 0.20665 0.02791 -0.05673 0.00000 10 4S 0.26949 4.79298 3.87582 6.44687 0.00000 11 4PX 0.00000 0.00000 0.00000 0.00000 1.37411 12 4PY 1.03674 1.82923 5.42804 2.88586 0.00000 13 4PZ 0.81816 3.52592 1.22425 1.84323 0.00000 14 5S 13.99521 -0.22330 6.00985 4.11939 0.00000 15 5PX 0.00000 0.00000 0.00000 0.00000 -0.52196 16 5PY 5.75199 5.39780 -3.39552 -0.15137 0.00000 17 5PZ -1.15514 -6.28693 7.73960 1.44865 0.00000 18 6D 0 -0.00572 0.00097 0.00169 -0.00538 0.00000 19 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00215 20 6D-1 -0.01206 -0.00126 0.01145 0.00519 0.00000 21 6D+2 -0.00284 0.00105 0.01160 -0.00094 0.00000 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00145 23 7D 0 -0.30120 0.19929 0.16744 0.23897 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.64312 25 7D-1 0.09152 0.03082 -0.23559 -0.11741 0.00000 26 7D+2 0.05370 0.13782 0.03452 -0.15654 0.00000 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.54386 28 2 C 1S -0.01684 0.00000 0.00000 -0.00516 0.00000 29 2S -0.03969 0.00000 0.00000 -0.01129 0.00000 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY 0.00000 0.02276 0.00456 0.00000 0.00000 32 2PZ -0.02572 0.00000 0.00000 -0.01520 0.00000 33 3S 0.51465 0.00000 0.00000 0.23670 0.00000 34 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 35 3PY 0.00000 0.17371 0.49882 0.00000 0.00000 36 3PZ 0.03250 0.00000 0.00000 -0.10965 0.00000 37 4S -1.48129 0.00000 0.00000 -6.23582 0.00000 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY 0.00000 -1.01974 2.02581 0.00000 0.00000 40 4PZ -3.59088 0.00000 0.00000 -3.89185 0.00000 41 5S -28.12235 0.00000 0.00000 -0.06179 0.00000 42 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 5PY 0.00000 6.67474 -7.80593 0.00000 0.00000 44 5PZ -4.15921 0.00000 0.00000 -0.78121 0.00000 45 6D 0 -0.00057 0.00000 0.00000 0.00441 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00093 0.02037 0.00000 0.00000 48 6D+2 -0.00950 0.00000 0.00000 -0.00332 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00481 50 7D 0 -0.09182 0.00000 0.00000 0.18380 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.04676 0.34770 0.00000 0.00000 53 7D+2 -0.12326 0.00000 0.00000 0.17661 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.53509 55 3 C 1S -0.00051 -0.01090 -0.03200 0.01645 0.00000 56 2S 0.00111 -0.02278 -0.06993 0.03584 0.00000 57 2PX 0.00000 0.00000 0.00000 0.00000 -0.04091 58 2PY -0.03925 0.01327 -0.00721 0.00101 0.00000 59 2PZ 0.00616 0.00150 -0.00003 -0.01646 0.00000 60 3S -0.02953 0.26813 0.80387 -0.47564 0.00000 61 3PX 0.00000 0.00000 0.00000 0.00000 -0.10656 62 3PY -0.27518 -0.07573 -0.10255 -0.06143 0.00000 63 3PZ -0.22919 -0.20665 -0.02791 -0.05673 0.00000 64 4S 0.26949 -4.79298 -3.87582 6.44687 0.00000 65 4PX 0.00000 0.00000 0.00000 0.00000 -1.37411 66 4PY -1.03674 1.82923 5.42804 -2.88586 0.00000 67 4PZ 0.81816 -3.52592 -1.22425 1.84323 0.00000 68 5S 13.99521 0.22330 -6.00985 4.11939 0.00000 69 5PX 0.00000 0.00000 0.00000 0.00000 0.52196 70 5PY -5.75199 5.39780 -3.39552 0.15137 0.00000 71 5PZ -1.15514 6.28693 -7.73960 1.44865 0.00000 72 6D 0 -0.00572 -0.00097 -0.00169 -0.00538 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00215 74 6D-1 0.01206 -0.00126 0.01145 -0.00519 0.00000 75 6D+2 -0.00284 -0.00105 -0.01160 -0.00094 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00145 77 7D 0 -0.30120 -0.19929 -0.16744 0.23897 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00000 -0.64312 79 7D-1 -0.09152 0.03082 -0.23559 0.11741 0.00000 80 7D+2 0.05370 -0.13782 -0.03452 -0.15654 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.54386 82 4 C 1S 0.01192 0.01840 0.02636 0.00342 0.00000 83 2S 0.02409 0.04296 0.05368 0.00897 0.00000 84 2PX 0.00000 0.00000 0.00000 0.00000 0.04437 85 2PY 0.04994 -0.00064 0.00273 -0.01691 0.00000 86 2PZ 0.02940 -0.00980 0.01482 -0.01227 0.00000 87 3S -0.26965 -0.43229 -0.68035 -0.05100 0.00000 88 3PX 0.00000 0.00000 0.00000 0.00000 0.11299 89 3PY -0.06303 0.32094 -0.11093 -0.05992 0.00000 90 3PZ 0.21847 -0.17783 -0.07896 0.11979 0.00000 91 4S 2.88957 -1.51098 12.14952 -4.51615 0.00000 92 4PX 0.00000 0.00000 0.00000 0.00000 1.40352 93 4PY -2.47496 -1.26191 -6.75351 1.63033 0.00000 94 4PZ 0.01074 -6.52883 2.63521 1.48839 0.00000 95 5S -11.56989 25.64948 0.21280 -4.17413 0.00000 96 5PX 0.00000 0.00000 0.00000 0.00000 -0.54648 97 5PY 5.14999 -9.55188 4.57632 -0.07545 0.00000 98 5PZ -5.01730 11.89290 -10.21215 1.98726 0.00000 99 6D 0 -0.01532 -0.00043 -0.00322 0.00146 0.00000 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00159 101 6D-1 0.00459 0.00726 0.00040 -0.00400 0.00000 102 6D+2 -0.00758 0.00807 0.00050 0.00410 0.00000 103 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00080 104 7D 0 0.26929 0.32763 -0.02648 -0.22154 0.00000 105 7D+1 0.00000 0.00000 0.00000 0.00000 -0.62047 106 7D-1 -0.82156 -0.01385 -0.28997 -0.06986 0.00000 107 7D+2 0.09319 0.32914 -0.17784 -0.01157 0.00000 108 7D-2 0.00000 0.00000 0.00000 0.00000 -0.55805 109 5 C 1S -0.06999 0.00000 0.00000 -0.02257 0.00000 110 2S -0.14518 0.00000 0.00000 -0.03957 0.00000 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY 0.00000 -0.05323 0.07972 0.00000 0.00000 113 2PZ 0.00859 0.00000 0.00000 0.11116 0.00000 114 3S 1.46658 0.00000 0.00000 0.16572 0.00000 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY 0.00000 -0.49444 -0.07975 0.00000 0.00000 117 3PZ 0.43489 0.00000 0.00000 0.30856 0.00000 118 4S -11.75536 0.00000 0.00000 2.47692 0.00000 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY 0.00000 7.87752 -11.34802 0.00000 0.00000 121 4PZ 0.15984 0.00000 0.00000 -2.42060 0.00000 122 5S 33.62905 0.00000 0.00000 -5.26435 0.00000 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 5PY 0.00000 -23.92567 10.42918 0.00000 0.00000 125 5PZ 5.72911 0.00000 0.00000 -3.36857 0.00000 126 6D 0 -0.00097 0.00000 0.00000 -0.02550 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.03658 -0.02571 0.00000 0.00000 129 6D+2 -0.00836 0.00000 0.00000 0.00269 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00334 131 7D 0 0.67790 0.00000 0.00000 -0.29531 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.00000 -0.61376 1.04079 0.00000 0.00000 134 7D+2 0.25585 0.00000 0.00000 -0.20423 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 -0.59761 136 6 C 1S 0.01192 -0.01840 -0.02636 0.00342 0.00000 137 2S 0.02409 -0.04296 -0.05368 0.00897 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00000 -0.04437 139 2PY -0.04994 -0.00064 0.00273 0.01691 0.00000 140 2PZ 0.02940 0.00980 -0.01482 -0.01227 0.00000 141 3S -0.26965 0.43229 0.68035 -0.05100 0.00000 142 3PX 0.00000 0.00000 0.00000 0.00000 -0.11299 143 3PY 0.06303 0.32094 -0.11093 0.05992 0.00000 144 3PZ 0.21847 0.17783 0.07896 0.11979 0.00000 145 4S 2.88957 1.51098 -12.14952 -4.51615 0.00000 146 4PX 0.00000 0.00000 0.00000 0.00000 -1.40352 147 4PY 2.47496 -1.26191 -6.75351 -1.63033 0.00000 148 4PZ 0.01074 6.52883 -2.63521 1.48839 0.00000 149 5S -11.56989 -25.64948 -0.21280 -4.17413 0.00000 150 5PX 0.00000 0.00000 0.00000 0.00000 0.54648 151 5PY -5.14999 -9.55188 4.57632 0.07545 0.00000 152 5PZ -5.01730 -11.89290 10.21215 1.98726 0.00000 153 6D 0 -0.01532 0.00043 0.00322 0.00146 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00159 155 6D-1 -0.00459 0.00726 0.00040 0.00400 0.00000 156 6D+2 -0.00758 -0.00807 -0.00050 0.00410 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00080 158 7D 0 0.26929 -0.32763 0.02648 -0.22154 0.00000 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.62047 160 7D-1 0.82156 -0.01385 -0.28997 0.06986 0.00000 161 7D+2 0.09319 -0.32914 0.17784 -0.01157 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 -0.55805 163 7 H 1S 0.01083 -0.01276 -0.04878 -0.00936 0.00000 164 2S 0.80856 -1.80092 -0.36160 0.05172 0.00000 165 3S 0.38594 -0.99451 -0.89699 -0.65235 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00000 0.08557 167 4PY 0.07027 -0.02430 0.02860 -0.01371 0.00000 168 4PZ -0.01164 0.03146 -0.04051 -0.01317 0.00000 169 8 Mg 1S 0.00885 0.00000 0.00000 -0.01139 0.00000 170 2S 0.02537 0.00000 0.00000 -0.03286 0.00000 171 3S -0.08184 0.00000 0.00000 0.10908 0.00000 172 4S -0.09724 0.00000 0.00000 0.11061 0.00000 173 5S -0.81283 0.00000 0.00000 -0.57788 0.00000 174 6S 1.26126 0.00000 0.00000 1.72690 0.00000 175 7S 0.23646 0.00000 0.00000 -0.31323 0.00000 176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PY 0.00000 -0.08666 0.02636 0.00000 0.00000 178 7PZ -0.17872 0.00000 0.00000 -0.00404 0.00000 179 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY 0.00000 0.05290 -0.03726 0.00000 0.00000 181 8PZ -0.01744 0.00000 0.00000 0.04219 0.00000 182 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 9PY 0.00000 0.09516 -0.06116 0.00000 0.00000 184 9PZ -0.03479 0.00000 0.00000 0.10073 0.00000 185 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 186 10PY 0.00000 -0.90181 0.53795 0.00000 0.00000 187 10PZ 0.28459 0.00000 0.00000 -0.83188 0.00000 188 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 11PY 0.00000 1.01506 0.48369 0.00000 0.00000 190 11PZ -0.76194 0.00000 0.00000 -3.01713 0.00000 191 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 192 12PY 0.00000 0.96265 0.38378 0.00000 0.00000 193 12PZ 7.05397 0.00000 0.00000 -3.42056 0.00000 194 13D 0 0.02726 0.00000 0.00000 -0.88067 0.00000 195 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 196 13D-1 0.00000 0.74204 -0.71841 0.00000 0.00000 197 13D+2 0.17716 0.00000 0.00000 -0.01121 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.02861 199 14D 0 3.15940 0.00000 0.00000 -0.31621 0.00000 200 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 201 14D-1 0.00000 -0.58984 -0.63666 0.00000 0.00000 202 14D+2 -0.30067 0.00000 0.00000 0.07420 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.04410 204 9 Br 1S -0.00328 0.00000 0.00000 0.00617 0.00000 205 2S -0.01090 0.00000 0.00000 0.02056 0.00000 206 3S 0.03253 0.00000 0.00000 -0.06168 0.00000 207 4S 0.02397 0.00000 0.00000 -0.04377 0.00000 208 5S -0.03117 0.00000 0.00000 0.05388 0.00000 209 6S -0.21116 0.00000 0.00000 0.41279 0.00000 210 7S 1.09103 0.00000 0.00000 -2.09932 0.00000 211 8S -3.11179 0.00000 0.00000 3.85557 0.00000 212 9S -7.21087 0.00000 0.00000 3.16215 0.00000 213 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 214 9PY 0.00000 -0.11752 -0.13585 0.00000 0.00000 215 9PZ 2.14537 0.00000 0.00000 -0.49601 0.00000 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 -0.00054 0.00059 0.00000 0.00000 218 10PZ 0.00092 0.00000 0.00000 -0.00348 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 -0.00432 0.00465 0.00000 0.00000 221 11PZ 0.00755 0.00000 0.00000 -0.02821 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 0.01094 -0.01103 0.00000 0.00000 224 12PZ -0.02023 0.00000 0.00000 0.07255 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 0.01613 -0.02741 0.00000 0.00000 227 13PZ -0.01334 0.00000 0.00000 0.09589 0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 -0.04187 0.06994 0.00000 0.00000 230 14PZ 0.03797 0.00000 0.00000 -0.26934 0.00000 231 15PX 0.00000 0.00000 0.00000 0.00000 0.00000 232 15PY 0.00000 0.00999 -0.07044 0.00000 0.00000 233 15PZ 0.01828 0.00000 0.00000 0.33666 0.00000 234 16PX 0.00000 0.00000 0.00000 0.00000 0.00000 235 16PY 0.00000 0.10606 0.25865 0.00000 0.00000 236 16PZ 1.34773 0.00000 0.00000 -2.68003 0.00000 237 17D 0 0.01800 0.00000 0.00000 -0.10667 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 -0.00865 0.02674 0.00000 0.00000 240 17D+2 -0.00452 0.00000 0.00000 0.00187 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00221 242 18D 0 -0.00208 0.00000 0.00000 0.00456 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00279 0.00629 0.00000 0.00000 245 18D+2 -0.00309 0.00000 0.00000 0.00178 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00248 247 19D 0 -0.00453 0.00000 0.00000 0.04836 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00039 -0.02917 0.00000 0.00000 250 19D+2 0.00854 0.00000 0.00000 -0.00462 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 -0.00633 252 20D 0 -0.22476 0.00000 0.00000 1.08604 0.00000 253 20D+1 0.00000 0.00000 0.00000 0.00000 0.00000 254 20D-1 0.00000 0.04038 -0.17342 0.00000 0.00000 255 20D+2 0.02623 0.00000 0.00000 -0.00769 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 -0.00650 257 10 H 1S 0.01083 0.01276 0.04878 -0.00936 0.00000 258 2S 0.80856 1.80092 0.36160 0.05172 0.00000 259 3S 0.38594 0.99451 0.89699 -0.65235 0.00000 260 4PX 0.00000 0.00000 0.00000 0.00000 -0.08557 261 4PY -0.07027 -0.02430 0.02860 0.01371 0.00000 262 4PZ -0.01164 -0.03146 0.04051 -0.01317 0.00000 263 11 H 1S 0.00756 -0.01670 -0.03476 0.00946 0.00000 264 2S 0.63769 -0.72708 -1.38926 0.27429 0.00000 265 3S -0.01472 -0.84450 -1.25593 0.72784 0.00000 266 4PX 0.00000 0.00000 0.00000 0.00000 0.09101 267 4PY 0.01116 -0.01150 -0.00231 0.00451 0.00000 268 4PZ 0.01597 -0.01429 0.01021 -0.00504 0.00000 269 12 H 1S -0.02421 0.00000 0.00000 -0.02183 0.00000 270 2S -1.07449 0.00000 0.00000 -0.66790 0.00000 271 3S -0.78817 0.00000 0.00000 -0.78186 0.00000 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 -0.00528 0.01842 0.00000 0.00000 274 4PZ 0.01211 0.00000 0.00000 0.00880 0.00000 275 13 H 1S 0.00756 0.01670 0.03476 0.00946 0.00000 276 2S 0.63769 0.72708 1.38926 0.27429 0.00000 277 3S -0.01472 0.84450 1.25593 0.72784 0.00000 278 4PX 0.00000 0.00000 0.00000 0.00000 -0.09101 279 4PY -0.01116 -0.01150 -0.00231 -0.00451 0.00000 280 4PZ 0.01597 0.01429 -0.01021 -0.00504 0.00000 156 157 158 159 160 (A1)--V (B2)--V (B1)--V (A1)--V (A2)--V Eigenvalues -- 1.12602 1.13734 1.15187 1.22441 1.22811 1 1 C 1S -0.02858 -0.00382 0.00000 -0.02942 0.00000 2 2S -0.05822 -0.00822 0.00000 -0.07465 0.00000 3 2PX 0.00000 0.00000 -0.03149 0.00000 0.07259 4 2PY 0.02534 -0.01627 0.00000 -0.04359 0.00000 5 2PZ 0.05963 0.02763 0.00000 -0.02989 0.00000 6 3S 0.70249 0.08602 0.00000 0.90407 0.00000 7 3PX 0.00000 0.00000 -0.10394 0.00000 0.31121 8 3PY -0.03545 0.22903 0.00000 -0.01388 0.00000 9 3PZ 0.32511 -0.38907 0.00000 -0.04790 0.00000 10 4S -10.39030 -0.64763 0.00000 -0.08723 0.00000 11 4PX 0.00000 0.00000 -1.22836 0.00000 0.49000 12 4PY -5.63352 -0.06484 0.00000 -0.60821 0.00000 13 4PZ -2.73738 0.40699 0.00000 -0.11587 0.00000 14 5S 0.42190 7.68027 0.00000 -0.73445 0.00000 15 5PX 0.00000 0.00000 0.53829 0.00000 -0.10278 16 5PY 1.07537 2.85033 0.00000 -0.69686 0.00000 17 5PZ -1.72271 -0.77096 0.00000 0.28992 0.00000 18 6D 0 0.01014 -0.00382 0.00000 0.00104 0.00000 19 6D+1 0.00000 0.00000 -0.00447 0.00000 -0.00264 20 6D-1 -0.01532 0.00118 0.00000 0.00763 0.00000 21 6D+2 0.00289 -0.00103 0.00000 -0.01179 0.00000 22 6D-2 0.00000 0.00000 0.00168 0.00000 -0.00931 23 7D 0 -0.45470 0.51255 0.00000 -0.29873 0.00000 24 7D+1 0.00000 0.00000 -0.14426 0.00000 -0.46060 25 7D-1 0.75829 0.37617 0.00000 0.53091 0.00000 26 7D+2 0.06143 0.29301 0.00000 0.07819 0.00000 27 7D-2 0.00000 0.00000 -0.66203 0.00000 0.50106 28 2 C 1S 0.02656 0.00000 0.00000 -0.03330 0.00000 29 2S 0.05798 0.00000 0.00000 -0.08397 0.00000 30 2PX 0.00000 0.00000 0.04208 0.00000 0.00000 31 2PY 0.00000 0.01645 0.00000 0.00000 0.00000 32 2PZ 0.01486 0.00000 0.00000 -0.04959 0.00000 33 3S -0.80116 0.00000 0.00000 1.01667 0.00000 34 3PX 0.00000 0.00000 0.07198 0.00000 0.00000 35 3PY 0.00000 -0.45297 0.00000 0.00000 0.00000 36 3PZ 0.10002 0.00000 0.00000 0.01378 0.00000 37 4S 13.20998 0.00000 0.00000 0.09336 0.00000 38 4PX 0.00000 0.00000 1.77491 0.00000 0.00000 39 4PY 0.00000 1.56964 0.00000 0.00000 0.00000 40 4PZ 8.15987 0.00000 0.00000 -0.50724 0.00000 41 5S -6.37180 0.00000 0.00000 2.89944 0.00000 42 5PX 0.00000 0.00000 -0.75056 0.00000 0.00000 43 5PY 0.00000 1.92094 0.00000 0.00000 0.00000 44 5PZ 0.02134 0.00000 0.00000 0.49141 0.00000 45 6D 0 -0.00100 0.00000 0.00000 0.01572 0.00000 46 6D+1 0.00000 0.00000 -0.00021 0.00000 0.00000 47 6D-1 0.00000 -0.00153 0.00000 0.00000 0.00000 48 6D+2 0.00844 0.00000 0.00000 -0.00269 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00691 50 7D 0 -0.72942 0.00000 0.00000 0.33315 0.00000 51 7D+1 0.00000 0.00000 0.99628 0.00000 0.00000 52 7D-1 0.00000 0.79013 0.00000 0.00000 0.00000 53 7D+2 -0.75638 0.00000 0.00000 0.46973 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 1.32905 55 3 C 1S -0.02858 0.00382 0.00000 -0.02942 0.00000 56 2S -0.05822 0.00822 0.00000 -0.07465 0.00000 57 2PX 0.00000 0.00000 -0.03149 0.00000 -0.07259 58 2PY -0.02534 -0.01627 0.00000 0.04359 0.00000 59 2PZ 0.05963 -0.02763 0.00000 -0.02989 0.00000 60 3S 0.70249 -0.08602 0.00000 0.90407 0.00000 61 3PX 0.00000 0.00000 -0.10394 0.00000 -0.31121 62 3PY 0.03545 0.22903 0.00000 0.01388 0.00000 63 3PZ 0.32511 0.38907 0.00000 -0.04790 0.00000 64 4S -10.39030 0.64763 0.00000 -0.08723 0.00000 65 4PX 0.00000 0.00000 -1.22836 0.00000 -0.49000 66 4PY 5.63352 -0.06484 0.00000 0.60821 0.00000 67 4PZ -2.73738 -0.40699 0.00000 -0.11587 0.00000 68 5S 0.42190 -7.68027 0.00000 -0.73445 0.00000 69 5PX 0.00000 0.00000 0.53829 0.00000 0.10278 70 5PY -1.07537 2.85033 0.00000 0.69686 0.00000 71 5PZ -1.72271 0.77096 0.00000 0.28992 0.00000 72 6D 0 0.01014 0.00382 0.00000 0.00104 0.00000 73 6D+1 0.00000 0.00000 -0.00447 0.00000 0.00264 74 6D-1 0.01532 0.00118 0.00000 -0.00763 0.00000 75 6D+2 0.00289 0.00103 0.00000 -0.01179 0.00000 76 6D-2 0.00000 0.00000 -0.00168 0.00000 -0.00931 77 7D 0 -0.45470 -0.51255 0.00000 -0.29873 0.00000 78 7D+1 0.00000 0.00000 -0.14426 0.00000 0.46060 79 7D-1 -0.75829 0.37617 0.00000 -0.53091 0.00000 80 7D+2 0.06143 -0.29301 0.00000 0.07819 0.00000 81 7D-2 0.00000 0.00000 0.66203 0.00000 0.50106 82 4 C 1S 0.01049 -0.00967 0.00000 -0.03371 0.00000 83 2S 0.02063 -0.02075 0.00000 -0.08258 0.00000 84 2PX 0.00000 0.00000 -0.01704 0.00000 -0.06542 85 2PY 0.02263 -0.01124 0.00000 0.04836 0.00000 86 2PZ 0.05329 0.00311 0.00000 0.00657 0.00000 87 3S -0.21486 0.19335 0.00000 0.95277 0.00000 88 3PX 0.00000 0.00000 -0.04546 0.00000 -0.27403 89 3PY 0.03838 0.17575 0.00000 0.03742 0.00000 90 3PZ -0.24343 -0.42394 0.00000 -0.03378 0.00000 91 4S 5.19123 0.26139 0.00000 -0.66501 0.00000 92 4PX 0.00000 0.00000 -0.19910 0.00000 -0.38183 93 4PY -0.50392 -1.21997 0.00000 0.59110 0.00000 94 4PZ -0.08775 2.11041 0.00000 0.43815 0.00000 95 5S -1.00762 23.52783 0.00000 -10.43710 0.00000 96 5PX 0.00000 0.00000 -0.06852 0.00000 0.09886 97 5PY 1.64933 -5.17242 0.00000 1.44325 0.00000 98 5PZ -1.17608 2.99188 0.00000 1.35752 0.00000 99 6D 0 -0.00476 0.00236 0.00000 0.00211 0.00000 100 6D+1 0.00000 0.00000 0.01154 0.00000 -0.00212 101 6D-1 0.01752 -0.00156 0.00000 0.00693 0.00000 102 6D+2 0.00061 0.00068 0.00000 -0.00799 0.00000 103 6D-2 0.00000 0.00000 -0.00270 0.00000 -0.00847 104 7D 0 0.63614 -0.55573 0.00000 -0.28436 0.00000 105 7D+1 0.00000 0.00000 -0.45525 0.00000 -0.50281 106 7D-1 -0.92687 -0.33898 0.00000 0.41657 0.00000 107 7D+2 0.32487 -0.37311 0.00000 0.05198 0.00000 108 7D-2 0.00000 0.00000 0.49630 0.00000 0.42233 109 5 C 1S -0.01767 0.00000 0.00000 -0.03657 0.00000 110 2S -0.03276 0.00000 0.00000 -0.08649 0.00000 111 2PX 0.00000 0.00000 0.03818 0.00000 0.00000 112 2PY 0.00000 0.00209 0.00000 0.00000 0.00000 113 2PZ 0.02381 0.00000 0.00000 0.05832 0.00000 114 3S 0.28298 0.00000 0.00000 0.94200 0.00000 115 3PX 0.00000 0.00000 0.16282 0.00000 0.00000 116 3PY 0.00000 -0.42484 0.00000 0.00000 0.00000 117 3PZ 0.81433 0.00000 0.00000 -0.11472 0.00000 118 4S -5.60486 0.00000 0.00000 -0.08851 0.00000 119 4PX 0.00000 0.00000 1.04502 0.00000 0.00000 120 4PY 0.00000 -0.52316 0.00000 0.00000 0.00000 121 4PZ -5.59289 0.00000 0.00000 0.28467 0.00000 122 5S 4.22201 0.00000 0.00000 11.31889 0.00000 123 5PX 0.00000 0.00000 -0.14733 0.00000 0.00000 124 5PY 0.00000 -13.42742 0.00000 0.00000 0.00000 125 5PZ -3.04998 0.00000 0.00000 -11.06824 0.00000 126 6D 0 -0.00911 0.00000 0.00000 0.00121 0.00000 127 6D+1 0.00000 0.00000 -0.00561 0.00000 0.00000 128 6D-1 0.00000 -0.00338 0.00000 0.00000 0.00000 129 6D+2 0.00593 0.00000 0.00000 -0.00158 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00671 131 7D 0 0.87241 0.00000 0.00000 0.20457 0.00000 132 7D+1 0.00000 0.00000 -0.90283 0.00000 0.00000 133 7D-1 0.00000 -0.49245 0.00000 0.00000 0.00000 134 7D+2 0.51198 0.00000 0.00000 0.43055 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 1.23512 136 6 C 1S 0.01049 0.00967 0.00000 -0.03371 0.00000 137 2S 0.02063 0.02075 0.00000 -0.08258 0.00000 138 2PX 0.00000 0.00000 -0.01704 0.00000 0.06542 139 2PY -0.02263 -0.01124 0.00000 -0.04836 0.00000 140 2PZ 0.05329 -0.00311 0.00000 0.00657 0.00000 141 3S -0.21486 -0.19335 0.00000 0.95277 0.00000 142 3PX 0.00000 0.00000 -0.04546 0.00000 0.27403 143 3PY -0.03838 0.17575 0.00000 -0.03742 0.00000 144 3PZ -0.24343 0.42394 0.00000 -0.03378 0.00000 145 4S 5.19123 -0.26139 0.00000 -0.66501 0.00000 146 4PX 0.00000 0.00000 -0.19910 0.00000 0.38183 147 4PY 0.50392 -1.21997 0.00000 -0.59110 0.00000 148 4PZ -0.08775 -2.11041 0.00000 0.43815 0.00000 149 5S -1.00762 -23.52783 0.00000 -10.43710 0.00000 150 5PX 0.00000 0.00000 -0.06852 0.00000 -0.09886 151 5PY -1.64933 -5.17242 0.00000 -1.44325 0.00000 152 5PZ -1.17608 -2.99188 0.00000 1.35752 0.00000 153 6D 0 -0.00476 -0.00236 0.00000 0.00211 0.00000 154 6D+1 0.00000 0.00000 0.01154 0.00000 0.00212 155 6D-1 -0.01752 -0.00156 0.00000 -0.00693 0.00000 156 6D+2 0.00061 -0.00068 0.00000 -0.00799 0.00000 157 6D-2 0.00000 0.00000 0.00270 0.00000 -0.00847 158 7D 0 0.63614 0.55573 0.00000 -0.28436 0.00000 159 7D+1 0.00000 0.00000 -0.45525 0.00000 0.50281 160 7D-1 0.92687 -0.33898 0.00000 -0.41657 0.00000 161 7D+2 0.32487 0.37311 0.00000 0.05198 0.00000 162 7D-2 0.00000 0.00000 -0.49630 0.00000 0.42233 163 7 H 1S 0.00787 0.00593 0.00000 0.04897 0.00000 164 2S 0.43294 0.13585 0.00000 -0.76989 0.00000 165 3S -0.78954 -0.26567 0.00000 0.71089 0.00000 166 4PX 0.00000 0.00000 0.07043 0.00000 0.10281 167 4PY 0.07541 0.01748 0.00000 0.01852 0.00000 168 4PZ -0.03617 0.02823 0.00000 0.01114 0.00000 169 8 Mg 1S 0.00696 0.00000 0.00000 -0.00067 0.00000 170 2S 0.01963 0.00000 0.00000 -0.00111 0.00000 171 3S -0.05985 0.00000 0.00000 -0.00504 0.00000 172 4S -0.11025 0.00000 0.00000 0.05314 0.00000 173 5S 2.53748 0.00000 0.00000 0.09782 0.00000 174 6S 4.30995 0.00000 0.00000 7.23176 0.00000 175 7S -0.22502 0.00000 0.00000 0.06729 0.00000 176 7PX 0.00000 0.00000 -0.02144 0.00000 0.00000 177 7PY 0.00000 -0.08254 0.00000 0.00000 0.00000 178 7PZ -0.01472 0.00000 0.00000 -0.15753 0.00000 179 8PX 0.00000 0.00000 -0.01692 0.00000 0.00000 180 8PY 0.00000 -0.00382 0.00000 0.00000 0.00000 181 8PZ 0.06417 0.00000 0.00000 -0.01014 0.00000 182 9PX 0.00000 0.00000 -0.02601 0.00000 0.00000 183 9PY 0.00000 -0.00625 0.00000 0.00000 0.00000 184 9PZ 0.11106 0.00000 0.00000 -0.02525 0.00000 185 10PX 0.00000 0.00000 0.17067 0.00000 0.00000 186 10PY 0.00000 0.03710 0.00000 0.00000 0.00000 187 10PZ -1.03519 0.00000 0.00000 0.38185 0.00000 188 11PX 0.00000 0.00000 -0.15722 0.00000 0.00000 189 11PY 0.00000 0.31199 0.00000 0.00000 0.00000 190 11PZ -4.20676 0.00000 0.00000 -1.71961 0.00000 191 12PX 0.00000 0.00000 0.06999 0.00000 0.00000 192 12PY 0.00000 1.04545 0.00000 0.00000 0.00000 193 12PZ -0.71023 0.00000 0.00000 -0.40051 0.00000 194 13D 0 0.33847 0.00000 0.00000 -0.20525 0.00000 195 13D+1 0.00000 0.00000 -0.29821 0.00000 0.00000 196 13D-1 0.00000 -0.14685 0.00000 0.00000 0.00000 197 13D+2 0.04585 0.00000 0.00000 -0.05996 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 -0.12457 199 14D 0 0.60163 0.00000 0.00000 -0.67927 0.00000 200 14D+1 0.00000 0.00000 0.13445 0.00000 0.00000 201 14D-1 0.00000 0.31058 0.00000 0.00000 0.00000 202 14D+2 -0.00964 0.00000 0.00000 0.02881 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00836 204 9 Br 1S 0.00309 0.00000 0.00000 0.00150 0.00000 205 2S 0.01020 0.00000 0.00000 0.00499 0.00000 206 3S -0.02966 0.00000 0.00000 -0.01473 0.00000 207 4S -0.02628 0.00000 0.00000 -0.01184 0.00000 208 5S 0.04237 0.00000 0.00000 0.01716 0.00000 209 6S 0.17463 0.00000 0.00000 0.09475 0.00000 210 7S -0.91996 0.00000 0.00000 -0.53990 0.00000 211 8S 1.75029 0.00000 0.00000 1.44542 0.00000 212 9S -0.17570 0.00000 0.00000 -1.15943 0.00000 213 9PX 0.00000 0.00000 -0.01805 0.00000 0.00000 214 9PY 0.00000 -0.14520 0.00000 0.00000 0.00000 215 9PZ 0.38243 0.00000 0.00000 0.67881 0.00000 216 10PX 0.00000 0.00000 0.00034 0.00000 0.00000 217 10PY 0.00000 0.00042 0.00000 0.00000 0.00000 218 10PZ -0.00059 0.00000 0.00000 -0.00104 0.00000 219 11PX 0.00000 0.00000 0.00263 0.00000 0.00000 220 11PY 0.00000 0.00347 0.00000 0.00000 0.00000 221 11PZ -0.00450 0.00000 0.00000 -0.00843 0.00000 222 12PX 0.00000 0.00000 -0.00622 0.00000 0.00000 223 12PY 0.00000 -0.00918 0.00000 0.00000 0.00000 224 12PZ 0.00957 0.00000 0.00000 0.02199 0.00000 225 13PX 0.00000 0.00000 -0.01629 0.00000 0.00000 226 13PY 0.00000 -0.00823 0.00000 0.00000 0.00000 227 13PZ 0.04143 0.00000 0.00000 0.02578 0.00000 228 14PX 0.00000 0.00000 0.04106 0.00000 0.00000 229 14PY 0.00000 0.02129 0.00000 0.00000 0.00000 230 14PZ -0.10298 0.00000 0.00000 -0.06979 0.00000 231 15PX 0.00000 0.00000 -0.03219 0.00000 0.00000 232 15PY 0.00000 0.03450 0.00000 0.00000 0.00000 233 15PZ 0.16113 0.00000 0.00000 0.00456 0.00000 234 16PX 0.00000 0.00000 0.00978 0.00000 0.00000 235 16PY 0.00000 -0.23500 0.00000 0.00000 0.00000 236 16PZ -1.21164 0.00000 0.00000 -0.74790 0.00000 237 17D 0 -0.04233 0.00000 0.00000 -0.01851 0.00000 238 17D+1 0.00000 0.00000 0.01182 0.00000 0.00000 239 17D-1 0.00000 -0.01241 0.00000 0.00000 0.00000 240 17D+2 0.00187 0.00000 0.00000 -0.00011 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 -0.00314 242 18D 0 -0.02747 0.00000 0.00000 -0.00740 0.00000 243 18D+1 0.00000 0.00000 0.00714 0.00000 0.00000 244 18D-1 0.00000 -0.01318 0.00000 0.00000 0.00000 245 18D+2 0.00250 0.00000 0.00000 -0.00032 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 -0.00434 247 19D 0 0.08095 0.00000 0.00000 0.02630 0.00000 248 19D+1 0.00000 0.00000 -0.02259 0.00000 0.00000 249 19D-1 0.00000 0.03376 0.00000 0.00000 0.00000 250 19D+2 -0.00615 0.00000 0.00000 0.00074 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.01089 252 20D 0 0.31293 0.00000 0.00000 0.18516 0.00000 253 20D+1 0.00000 0.00000 -0.04394 0.00000 0.00000 254 20D-1 0.00000 0.06495 0.00000 0.00000 0.00000 255 20D+2 -0.00315 0.00000 0.00000 -0.00136 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00383 257 10 H 1S 0.00787 -0.00593 0.00000 0.04897 0.00000 258 2S 0.43294 -0.13585 0.00000 -0.76989 0.00000 259 3S -0.78954 0.26567 0.00000 0.71089 0.00000 260 4PX 0.00000 0.00000 0.07043 0.00000 -0.10281 261 4PY -0.07541 0.01748 0.00000 -0.01852 0.00000 262 4PZ -0.03617 -0.02823 0.00000 0.01114 0.00000 263 11 H 1S -0.04872 -0.00303 0.00000 0.06031 0.00000 264 2S -0.96632 -0.08906 0.00000 -0.84390 0.00000 265 3S -1.43334 0.01207 0.00000 0.56598 0.00000 266 4PX 0.00000 0.00000 0.06776 0.00000 -0.10191 267 4PY 0.02951 0.03334 0.00000 -0.01171 0.00000 268 4PZ 0.01256 0.03860 0.00000 -0.00079 0.00000 269 12 H 1S 0.03264 0.00000 0.00000 0.06276 0.00000 270 2S 1.60108 0.00000 0.00000 -0.75054 0.00000 271 3S 1.66976 0.00000 0.00000 0.41798 0.00000 272 4PX 0.00000 0.00000 -0.13903 0.00000 0.00000 273 4PY 0.00000 -0.04571 0.00000 0.00000 0.00000 274 4PZ 0.01137 0.00000 0.00000 0.02340 0.00000 275 13 H 1S -0.04872 0.00303 0.00000 0.06031 0.00000 276 2S -0.96632 0.08906 0.00000 -0.84390 0.00000 277 3S -1.43334 -0.01207 0.00000 0.56598 0.00000 278 4PX 0.00000 0.00000 0.06776 0.00000 0.10191 279 4PY -0.02951 0.03334 0.00000 0.01171 0.00000 280 4PZ 0.01256 -0.03860 0.00000 -0.00079 0.00000 161 162 163 164 165 (A1)--V (B1)--V (A1)--V (B1)--V (B2)--V Eigenvalues -- 1.23568 1.24088 1.31269 1.32118 1.32984 1 1 C 1S -0.02519 0.00000 0.02320 0.00000 -0.02192 2 2S -0.05850 0.00000 0.05085 0.00000 -0.04397 3 2PX 0.00000 0.02611 0.00000 -0.06988 0.00000 4 2PY -0.04299 0.00000 -0.10315 0.00000 0.08475 5 2PZ -0.03965 0.00000 0.07928 0.00000 0.05073 6 3S 1.34152 0.00000 -0.40208 0.00000 -0.06575 7 3PX 0.00000 0.14609 0.00000 -0.12078 0.00000 8 3PY -0.28424 0.00000 -0.40934 0.00000 0.62693 9 3PZ -0.34014 0.00000 0.14353 0.00000 0.10630 10 4S -32.86713 0.00000 -1.97454 0.00000 11.86435 11 4PX 0.00000 -0.42472 0.00000 -1.68118 0.00000 12 4PY -14.04861 0.00000 -1.96903 0.00000 3.72158 13 4PZ -8.20500 0.00000 2.53896 0.00000 2.03568 14 5S 2.09495 0.00000 3.41810 0.00000 -8.62627 15 5PX 0.00000 0.37486 0.00000 1.11540 0.00000 16 5PY -1.19187 0.00000 1.45375 0.00000 0.34956 17 5PZ 0.23298 0.00000 -1.91672 0.00000 1.40517 18 6D 0 0.00878 0.00000 -0.00231 0.00000 -0.00533 19 6D+1 0.00000 -0.00959 0.00000 0.00850 0.00000 20 6D-1 -0.00916 0.00000 -0.00087 0.00000 0.00309 21 6D+2 -0.00756 0.00000 -0.00735 0.00000 0.00482 22 6D-2 0.00000 -0.00232 0.00000 0.00561 0.00000 23 7D 0 -0.78256 0.00000 0.76606 0.00000 0.60776 24 7D+1 0.00000 0.86169 0.00000 -0.65428 0.00000 25 7D-1 0.48731 0.00000 0.42374 0.00000 -0.11374 26 7D+2 0.69652 0.00000 0.73738 0.00000 -0.89866 27 7D-2 0.00000 -0.74436 0.00000 -0.47899 0.00000 28 2 C 1S 0.02281 0.00000 -0.03864 0.00000 0.00000 29 2S 0.05140 0.00000 -0.08228 0.00000 0.00000 30 2PX 0.00000 0.09782 0.00000 0.02056 0.00000 31 2PY 0.00000 0.00000 0.00000 0.00000 0.19222 32 2PZ 0.03175 0.00000 0.10603 0.00000 0.00000 33 3S -1.18461 0.00000 0.44036 0.00000 0.00000 34 3PX 0.00000 0.36992 0.00000 -0.01758 0.00000 35 3PY 0.00000 0.00000 0.00000 0.00000 1.00513 36 3PZ 0.36027 0.00000 0.60404 0.00000 0.00000 37 4S 31.76166 0.00000 8.39819 0.00000 0.00000 38 4PX 0.00000 1.21639 0.00000 1.39110 0.00000 39 4PY 0.00000 0.00000 0.00000 0.00000 5.55992 40 4PZ 15.49539 0.00000 3.05931 0.00000 0.00000 41 5S 0.27081 0.00000 -6.87089 0.00000 0.00000 42 5PX 0.00000 -0.56232 0.00000 -1.01984 0.00000 43 5PY 0.00000 0.00000 0.00000 0.00000 -5.25910 44 5PZ 0.94446 0.00000 0.70931 0.00000 0.00000 45 6D 0 0.00742 0.00000 -0.00350 0.00000 0.00000 46 6D+1 0.00000 -0.01251 0.00000 0.00169 0.00000 47 6D-1 0.00000 0.00000 0.00000 0.00000 -0.00615 48 6D+2 0.01611 0.00000 0.01021 0.00000 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.01116 0.00000 0.56172 0.00000 0.00000 51 7D+1 0.00000 0.54692 0.00000 0.60420 0.00000 52 7D-1 0.00000 0.00000 0.00000 0.00000 1.65663 53 7D+2 -1.04030 0.00000 -0.64716 0.00000 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S -0.02519 0.00000 0.02320 0.00000 0.02192 56 2S -0.05850 0.00000 0.05085 0.00000 0.04397 57 2PX 0.00000 0.02611 0.00000 -0.06988 0.00000 58 2PY 0.04299 0.00000 0.10315 0.00000 0.08475 59 2PZ -0.03965 0.00000 0.07928 0.00000 -0.05073 60 3S 1.34152 0.00000 -0.40208 0.00000 0.06575 61 3PX 0.00000 0.14609 0.00000 -0.12078 0.00000 62 3PY 0.28424 0.00000 0.40934 0.00000 0.62693 63 3PZ -0.34014 0.00000 0.14353 0.00000 -0.10630 64 4S -32.86713 0.00000 -1.97454 0.00000 -11.86435 65 4PX 0.00000 -0.42472 0.00000 -1.68118 0.00000 66 4PY 14.04861 0.00000 1.96903 0.00000 3.72158 67 4PZ -8.20500 0.00000 2.53896 0.00000 -2.03568 68 5S 2.09495 0.00000 3.41810 0.00000 8.62627 69 5PX 0.00000 0.37486 0.00000 1.11540 0.00000 70 5PY 1.19187 0.00000 -1.45375 0.00000 0.34956 71 5PZ 0.23298 0.00000 -1.91672 0.00000 -1.40517 72 6D 0 0.00878 0.00000 -0.00231 0.00000 0.00533 73 6D+1 0.00000 -0.00959 0.00000 0.00850 0.00000 74 6D-1 0.00916 0.00000 0.00087 0.00000 0.00309 75 6D+2 -0.00756 0.00000 -0.00735 0.00000 -0.00482 76 6D-2 0.00000 0.00232 0.00000 -0.00561 0.00000 77 7D 0 -0.78256 0.00000 0.76606 0.00000 -0.60776 78 7D+1 0.00000 0.86169 0.00000 -0.65428 0.00000 79 7D-1 -0.48731 0.00000 -0.42374 0.00000 -0.11374 80 7D+2 0.69652 0.00000 0.73738 0.00000 0.89866 81 7D-2 0.00000 0.74436 0.00000 0.47899 0.00000 82 4 C 1S 0.03083 0.00000 0.01991 0.00000 -0.02553 83 2S 0.07064 0.00000 0.04324 0.00000 -0.05743 84 2PX 0.00000 -0.02833 0.00000 0.07594 0.00000 85 2PY -0.03050 0.00000 0.09176 0.00000 0.00284 86 2PZ -0.03772 0.00000 -0.05989 0.00000 -0.10617 87 3S -1.46995 0.00000 -0.16478 0.00000 0.49141 88 3PX 0.00000 -0.15615 0.00000 0.16060 0.00000 89 3PY -0.27115 0.00000 0.38716 0.00000 0.02215 90 3PZ -0.14560 0.00000 0.03099 0.00000 -0.49686 91 4S 34.12812 0.00000 -8.80672 0.00000 3.96998 92 4PX 0.00000 0.26950 0.00000 1.94610 0.00000 93 4PY -15.33164 0.00000 4.39839 0.00000 0.15668 94 4PZ -8.96620 0.00000 -0.15268 0.00000 -4.30834 95 5S 0.89450 0.00000 -1.29549 0.00000 11.21097 96 5PX 0.00000 -0.42484 0.00000 -1.07583 0.00000 97 5PY -2.07847 0.00000 1.21256 0.00000 -3.37111 98 5PZ 0.22625 0.00000 0.96432 0.00000 3.63230 99 6D 0 -0.01318 0.00000 0.00152 0.00000 -0.00639 100 6D+1 0.00000 -0.00333 0.00000 -0.00644 0.00000 101 6D-1 0.00903 0.00000 -0.00664 0.00000 -0.00533 102 6D+2 0.00548 0.00000 -0.00591 0.00000 0.00504 103 6D-2 0.00000 -0.00218 0.00000 0.00413 0.00000 104 7D 0 0.81467 0.00000 0.35462 0.00000 0.64366 105 7D+1 0.00000 0.87014 0.00000 -0.63797 0.00000 106 7D-1 -0.49413 0.00000 0.48274 0.00000 0.71451 107 7D+2 -0.65572 0.00000 0.82790 0.00000 0.20093 108 7D-2 0.00000 -0.60858 0.00000 -0.67306 0.00000 109 5 C 1S -0.01992 0.00000 -0.03745 0.00000 0.00000 110 2S -0.04902 0.00000 -0.07698 0.00000 0.00000 111 2PX 0.00000 -0.08429 0.00000 -0.01468 0.00000 112 2PY 0.00000 0.00000 0.00000 0.00000 0.00657 113 2PZ -0.01790 0.00000 -0.10331 0.00000 0.00000 114 3S 1.31293 0.00000 0.26690 0.00000 0.00000 115 3PX 0.00000 -0.31880 0.00000 0.02593 0.00000 116 3PY 0.00000 0.00000 0.00000 0.00000 0.53591 117 3PZ -0.21754 0.00000 -0.59091 0.00000 0.00000 118 4S -33.09815 0.00000 12.93447 0.00000 0.00000 119 4PX 0.00000 -1.05802 0.00000 -1.85559 0.00000 120 4PY 0.00000 0.00000 0.00000 0.00000 1.40537 121 4PZ 20.91942 0.00000 -6.40945 0.00000 0.00000 122 5S -3.24331 0.00000 6.25469 0.00000 0.00000 123 5PX 0.00000 0.81069 0.00000 0.76983 0.00000 124 5PY 0.00000 0.00000 0.00000 0.00000 -7.65883 125 5PZ 4.10799 0.00000 0.02280 0.00000 0.00000 126 6D 0 0.00079 0.00000 -0.01142 0.00000 0.00000 127 6D+1 0.00000 -0.01722 0.00000 0.00570 0.00000 128 6D-1 0.00000 0.00000 0.00000 0.00000 -0.00267 129 6D+2 -0.02340 0.00000 0.01027 0.00000 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 -0.11444 0.00000 0.43590 0.00000 0.00000 132 7D+1 0.00000 0.25998 0.00000 1.16423 0.00000 133 7D-1 0.00000 0.00000 0.00000 0.00000 0.03881 134 7D+2 1.07596 0.00000 -0.79479 0.00000 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S 0.03083 0.00000 0.01991 0.00000 0.02553 137 2S 0.07064 0.00000 0.04324 0.00000 0.05743 138 2PX 0.00000 -0.02833 0.00000 0.07594 0.00000 139 2PY 0.03050 0.00000 -0.09176 0.00000 0.00284 140 2PZ -0.03772 0.00000 -0.05989 0.00000 0.10617 141 3S -1.46995 0.00000 -0.16478 0.00000 -0.49141 142 3PX 0.00000 -0.15615 0.00000 0.16060 0.00000 143 3PY 0.27115 0.00000 -0.38716 0.00000 0.02215 144 3PZ -0.14560 0.00000 0.03099 0.00000 0.49686 145 4S 34.12812 0.00000 -8.80672 0.00000 -3.96998 146 4PX 0.00000 0.26950 0.00000 1.94610 0.00000 147 4PY 15.33164 0.00000 -4.39839 0.00000 0.15668 148 4PZ -8.96620 0.00000 -0.15268 0.00000 4.30834 149 5S 0.89450 0.00000 -1.29549 0.00000 -11.21097 150 5PX 0.00000 -0.42484 0.00000 -1.07583 0.00000 151 5PY 2.07847 0.00000 -1.21256 0.00000 -3.37111 152 5PZ 0.22625 0.00000 0.96432 0.00000 -3.63230 153 6D 0 -0.01318 0.00000 0.00152 0.00000 0.00639 154 6D+1 0.00000 -0.00333 0.00000 -0.00644 0.00000 155 6D-1 -0.00903 0.00000 0.00664 0.00000 -0.00533 156 6D+2 0.00548 0.00000 -0.00591 0.00000 -0.00504 157 6D-2 0.00000 0.00218 0.00000 -0.00413 0.00000 158 7D 0 0.81467 0.00000 0.35462 0.00000 -0.64366 159 7D+1 0.00000 0.87014 0.00000 -0.63797 0.00000 160 7D-1 0.49413 0.00000 -0.48274 0.00000 0.71451 161 7D+2 -0.65572 0.00000 0.82790 0.00000 -0.20093 162 7D-2 0.00000 0.60858 0.00000 0.67306 0.00000 163 7 H 1S 0.08486 0.00000 -0.00468 0.00000 -0.03503 164 2S 1.19245 0.00000 0.14516 0.00000 0.17185 165 3S 3.98585 0.00000 -1.23716 0.00000 -0.35214 166 4PX 0.00000 -0.07508 0.00000 -0.17959 0.00000 167 4PY -0.06071 0.00000 0.03520 0.00000 0.00558 168 4PZ 0.04349 0.00000 0.06719 0.00000 -0.04775 169 8 Mg 1S -0.00275 0.00000 0.00092 0.00000 0.00000 170 2S -0.00658 0.00000 0.00317 0.00000 0.00000 171 3S 0.00584 0.00000 -0.01676 0.00000 0.00000 172 4S 0.13695 0.00000 0.02440 0.00000 0.00000 173 5S -5.21675 0.00000 0.76165 0.00000 0.00000 174 6S -4.17463 0.00000 -2.15229 0.00000 0.00000 175 7S 0.25136 0.00000 0.00129 0.00000 0.00000 176 7PX 0.00000 0.01003 0.00000 0.04619 0.00000 177 7PY 0.00000 0.00000 0.00000 0.00000 0.01682 178 7PZ -0.11383 0.00000 -0.17519 0.00000 0.00000 179 8PX 0.00000 -0.00925 0.00000 0.02028 0.00000 180 8PY 0.00000 0.00000 0.00000 0.00000 0.01235 181 8PZ -0.04008 0.00000 0.01616 0.00000 0.00000 182 9PX 0.00000 -0.01197 0.00000 0.02957 0.00000 183 9PY 0.00000 0.00000 0.00000 0.00000 0.01724 184 9PZ -0.08043 0.00000 0.01496 0.00000 0.00000 185 10PX 0.00000 0.10286 0.00000 -0.20505 0.00000 186 10PY 0.00000 0.00000 0.00000 0.00000 -0.22701 187 10PZ 1.55409 0.00000 -0.22318 0.00000 0.00000 188 11PX 0.00000 -0.02785 0.00000 0.24965 0.00000 189 11PY 0.00000 0.00000 0.00000 0.00000 0.51387 190 11PZ 2.53772 0.00000 -0.86277 0.00000 0.00000 191 12PX 0.00000 -0.17941 0.00000 0.01753 0.00000 192 12PY 0.00000 0.00000 0.00000 0.00000 0.27587 193 12PZ 0.78589 0.00000 1.78956 0.00000 0.00000 194 13D 0 -0.55468 0.00000 -0.03717 0.00000 0.00000 195 13D+1 0.00000 -0.11736 0.00000 0.30159 0.00000 196 13D-1 0.00000 0.00000 0.00000 0.00000 0.08065 197 13D+2 -0.05010 0.00000 -0.01473 0.00000 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 -1.14984 0.00000 0.07775 0.00000 0.00000 200 14D+1 0.00000 0.02156 0.00000 -0.25231 0.00000 201 14D-1 0.00000 0.00000 0.00000 0.00000 -0.48979 202 14D+2 -0.03033 0.00000 -0.02660 0.00000 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00061 0.00000 0.00060 0.00000 0.00000 205 2S 0.00204 0.00000 0.00200 0.00000 0.00000 206 3S -0.00608 0.00000 -0.00589 0.00000 0.00000 207 4S -0.00463 0.00000 -0.00479 0.00000 0.00000 208 5S 0.00624 0.00000 0.00705 0.00000 0.00000 209 6S 0.04068 0.00000 0.03808 0.00000 0.00000 210 7S -0.22383 0.00000 -0.21778 0.00000 0.00000 211 8S 0.64149 0.00000 0.46494 0.00000 0.00000 212 9S 0.23717 0.00000 -0.70385 0.00000 0.00000 213 9PX 0.00000 0.03805 0.00000 -0.02102 0.00000 214 9PY 0.00000 0.00000 0.00000 0.00000 -0.07358 215 9PZ -0.09095 0.00000 0.27178 0.00000 0.00000 216 10PX 0.00000 0.00011 0.00000 -0.00042 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 -0.00020 218 10PZ -0.00030 0.00000 -0.00027 0.00000 0.00000 219 11PX 0.00000 0.00083 0.00000 -0.00333 0.00000 220 11PY 0.00000 0.00000 0.00000 0.00000 -0.00167 221 11PZ -0.00253 0.00000 -0.00213 0.00000 0.00000 222 12PX 0.00000 -0.00198 0.00000 0.00789 0.00000 223 12PY 0.00000 0.00000 0.00000 0.00000 0.00452 224 12PZ 0.00732 0.00000 0.00537 0.00000 0.00000 225 13PX 0.00000 -0.00499 0.00000 0.02132 0.00000 226 13PY 0.00000 0.00000 0.00000 0.00000 0.00299 227 13PZ -0.00088 0.00000 0.00971 0.00000 0.00000 228 14PX 0.00000 0.01288 0.00000 -0.05439 0.00000 229 14PY 0.00000 0.00000 0.00000 0.00000 -0.00819 230 14PZ -0.00392 0.00000 -0.02763 0.00000 0.00000 231 15PX 0.00000 -0.01067 0.00000 0.03943 0.00000 232 15PY 0.00000 0.00000 0.00000 0.00000 -0.02562 233 15PZ -0.00354 0.00000 0.04420 0.00000 0.00000 234 16PX 0.00000 0.01104 0.00000 0.02287 0.00000 235 16PY 0.00000 0.00000 0.00000 0.00000 0.19319 236 16PZ -0.24702 0.00000 -0.36454 0.00000 0.00000 237 17D 0 -0.00177 0.00000 -0.00843 0.00000 0.00000 238 17D+1 0.00000 0.00342 0.00000 -0.01207 0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00000 0.01374 240 17D+2 -0.00203 0.00000 -0.00719 0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00894 0.00000 -0.00122 0.00000 0.00000 243 18D+1 0.00000 0.00192 0.00000 -0.01072 0.00000 244 18D-1 0.00000 0.00000 0.00000 0.00000 0.01633 245 18D+2 -0.00272 0.00000 -0.01069 0.00000 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 -0.01791 0.00000 0.00831 0.00000 0.00000 248 19D+1 0.00000 -0.00648 0.00000 0.03147 0.00000 249 19D-1 0.00000 0.00000 0.00000 0.00000 -0.04325 250 19D+2 0.00687 0.00000 0.02686 0.00000 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.06586 0.00000 0.08733 0.00000 0.00000 253 20D+1 0.00000 -0.01326 0.00000 0.02379 0.00000 254 20D-1 0.00000 0.00000 0.00000 0.00000 -0.04910 255 20D+2 0.00340 0.00000 0.00756 0.00000 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.08486 0.00000 -0.00468 0.00000 0.03503 258 2S 1.19245 0.00000 0.14516 0.00000 -0.17185 259 3S 3.98585 0.00000 -1.23716 0.00000 0.35214 260 4PX 0.00000 -0.07508 0.00000 -0.17959 0.00000 261 4PY 0.06071 0.00000 -0.03520 0.00000 0.00558 262 4PZ 0.04349 0.00000 0.06719 0.00000 0.04775 263 11 H 1S -0.07875 0.00000 0.00728 0.00000 0.03506 264 2S -0.88075 0.00000 0.24673 0.00000 0.31809 265 3S -3.50949 0.00000 -0.23457 0.00000 -1.34857 266 4PX 0.00000 0.11290 0.00000 0.09741 0.00000 267 4PY -0.06848 0.00000 -0.04330 0.00000 0.01684 268 4PZ 0.01847 0.00000 -0.06611 0.00000 0.02045 269 12 H 1S 0.08435 0.00000 -0.01849 0.00000 0.00000 270 2S 0.69290 0.00000 -0.44238 0.00000 0.00000 271 3S 3.40106 0.00000 1.09467 0.00000 0.00000 272 4PX 0.00000 0.07261 0.00000 -0.15217 0.00000 273 4PY 0.00000 0.00000 0.00000 0.00000 -0.05334 274 4PZ -0.06039 0.00000 -0.00741 0.00000 0.00000 275 13 H 1S -0.07875 0.00000 0.00728 0.00000 -0.03506 276 2S -0.88075 0.00000 0.24673 0.00000 -0.31809 277 3S -3.50949 0.00000 -0.23457 0.00000 1.34857 278 4PX 0.00000 0.11290 0.00000 0.09741 0.00000 279 4PY 0.06848 0.00000 0.04330 0.00000 0.01684 280 4PZ 0.01847 0.00000 -0.06611 0.00000 -0.02045 166 167 168 169 170 (A1)--V (B2)--V (B2)--V (A1)--V (A1)--V Eigenvalues -- 1.33841 1.35426 1.35867 1.35883 1.49426 1 1 C 1S 0.00481 -0.00347 -0.02850 -0.00440 0.00182 2 2S 0.01295 -0.01615 -0.06354 -0.01191 0.01109 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY -0.03727 -0.06367 0.02062 0.00906 0.08648 5 2PZ 0.08970 0.04199 0.09112 -0.03656 0.07982 6 3S -0.23930 0.24824 0.64265 0.09611 -0.62547 7 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 3PY -0.37463 -0.30775 0.01667 0.00395 -0.03489 9 3PZ 0.84354 0.18641 0.59125 0.01456 0.00702 10 4S -0.18655 4.04929 1.33249 1.73759 3.15645 11 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 12 4PY -2.15552 1.16073 -0.66395 -2.09791 0.94693 13 4PZ 2.81898 0.11832 4.02705 2.81236 0.15188 14 5S 2.10707 -1.48559 11.79408 -9.71531 -29.00311 15 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 5PY 2.78876 -1.03969 1.69118 1.26154 -3.91565 17 5PZ -2.93869 2.33015 -0.56203 -4.04792 -1.55484 18 6D 0 0.00026 -0.00345 0.00326 -0.00945 0.02572 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 0.00108 0.03286 -0.01921 0.01306 -0.00201 21 6D+2 0.00009 -0.02415 0.02269 -0.01836 0.00669 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 7D 0 0.85285 -0.30226 0.60074 0.39476 -0.68303 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 0.10919 0.96332 0.47399 0.92401 2.18983 26 7D+2 0.18597 -0.43783 0.59948 -0.08854 -1.65719 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 C 1S 0.01261 0.00000 0.00000 0.01425 -0.00738 29 2S 0.03491 0.00000 0.00000 0.02407 -0.02341 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY 0.00000 -0.07328 0.03067 0.00000 0.00000 32 2PZ 0.04445 0.00000 0.00000 -0.05931 -0.15487 33 3S -0.79899 0.00000 0.00000 -0.22954 0.88520 34 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 35 3PY 0.00000 -0.55497 -0.53669 0.00000 0.00000 36 3PZ 0.29977 0.00000 0.00000 -0.26960 0.13171 37 4S 7.94317 0.00000 0.00000 6.59860 -5.92510 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY 0.00000 2.18202 -3.01105 0.00000 0.00000 40 4PZ 3.05390 0.00000 0.00000 1.50719 -2.20144 41 5S -13.97648 0.00000 0.00000 -4.87815 32.49648 42 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 5PY 0.00000 -3.31501 3.17124 0.00000 0.00000 44 5PZ -0.89321 0.00000 0.00000 0.78348 4.75413 45 6D 0 -0.00086 0.00000 0.00000 0.05714 0.00591 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 -0.00579 0.00314 0.00000 0.00000 48 6D+2 0.00279 0.00000 0.00000 -0.00029 0.02237 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 -0.02457 0.00000 0.00000 0.81026 -3.63079 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.55357 -0.37288 0.00000 0.00000 53 7D+2 -0.98193 0.00000 0.00000 -0.09592 -0.42672 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.00481 0.00347 0.02850 -0.00440 0.00182 56 2S 0.01295 0.01615 0.06354 -0.01191 0.01109 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.03727 -0.06367 0.02062 -0.00906 -0.08648 59 2PZ 0.08970 -0.04199 -0.09112 -0.03656 0.07982 60 3S -0.23930 -0.24824 -0.64265 0.09611 -0.62547 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY 0.37463 -0.30775 0.01667 -0.00395 0.03489 63 3PZ 0.84354 -0.18641 -0.59125 0.01456 0.00702 64 4S -0.18655 -4.04929 -1.33249 1.73759 3.15645 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY 2.15552 1.16073 -0.66395 2.09791 -0.94693 67 4PZ 2.81898 -0.11832 -4.02705 2.81236 0.15188 68 5S 2.10707 1.48559 -11.79408 -9.71531 -29.00311 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY -2.78876 -1.03969 1.69118 -1.26154 3.91565 71 5PZ -2.93869 -2.33015 0.56203 -4.04792 -1.55484 72 6D 0 0.00026 0.00345 -0.00326 -0.00945 0.02572 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 -0.00108 0.03286 -0.01921 -0.01306 0.00201 75 6D+2 0.00009 0.02415 -0.02269 -0.01836 0.00669 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.85285 0.30226 -0.60074 0.39476 -0.68303 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 -0.10919 0.96332 0.47399 -0.92401 -2.18983 80 7D+2 0.18597 0.43783 -0.59948 -0.08854 -1.65719 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S -0.00822 -0.00587 -0.00275 -0.00440 0.01607 83 2S -0.02096 -0.00524 -0.00411 -0.00676 0.03147 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY -0.05179 -0.10102 -0.03386 -0.00853 0.05761 86 2PZ 0.10127 -0.00566 -0.04001 -0.00843 0.00923 87 3S 0.25898 -0.24860 -0.43036 0.13837 -0.16061 88 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 3PY -0.44164 -0.56245 -0.41304 -0.09908 0.22236 90 3PZ 0.93430 0.08405 0.08014 -0.04177 0.15379 91 4S 1.96587 3.71549 13.06101 -2.85531 2.69310 92 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 4PY -3.23331 -1.87558 -4.31873 -1.63017 -2.14178 94 4PZ 2.82689 -0.70874 -1.09432 3.32152 -0.63269 95 5S -7.21575 1.07320 -2.05291 14.08803 21.14113 96 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PY 3.89498 0.98211 0.35876 0.51534 -2.54536 98 5PZ -3.09245 -2.13318 -4.41688 -3.73326 -2.94705 99 6D 0 -0.00157 -0.00218 -0.01280 0.00354 0.01152 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 0.00109 -0.03646 0.01805 -0.01404 0.02369 102 6D+2 -0.00172 0.02434 -0.01467 0.01616 -0.00406 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 -0.97979 0.60639 0.53166 -0.35991 0.34272 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 -0.07387 -0.43940 0.06660 -1.29958 -1.12877 107 7D+2 -0.39248 0.09835 -1.01327 0.29344 0.52763 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 5 C 1S -0.01224 0.00000 0.00000 0.00096 -0.01977 110 2S -0.03704 0.00000 0.00000 0.00986 -0.03977 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY 0.00000 -0.11722 -0.07329 0.00000 0.00000 113 2PZ 0.05955 0.00000 0.00000 -0.10905 -0.06607 114 3S 0.99714 0.00000 0.00000 -0.16722 0.41356 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY 0.00000 -0.53661 -0.64429 0.00000 0.00000 117 3PZ 0.17131 0.00000 0.00000 0.07690 -0.56415 118 4S -11.21261 0.00000 0.00000 -5.24860 -5.33916 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY 0.00000 -2.55508 -7.84984 0.00000 0.00000 121 4PZ 6.06178 0.00000 0.00000 -0.19123 4.53379 122 5S 23.12947 0.00000 0.00000 -0.37409 -12.68837 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 5PY 0.00000 1.95315 4.17659 0.00000 0.00000 125 5PZ -3.80694 0.00000 0.00000 3.27567 5.79178 126 6D 0 0.00324 0.00000 0.00000 -0.04524 -0.02049 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 -0.00992 -0.01145 0.00000 0.00000 129 6D+2 -0.00761 0.00000 0.00000 -0.00979 -0.00035 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 -0.16081 0.00000 0.00000 -0.11450 0.51051 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.00000 0.42647 1.82878 0.00000 0.00000 134 7D+2 1.17953 0.00000 0.00000 0.06658 0.42595 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S -0.00822 0.00587 0.00275 -0.00440 0.01607 137 2S -0.02096 0.00524 0.00411 -0.00676 0.03147 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY 0.05179 -0.10102 -0.03386 0.00853 -0.05761 140 2PZ 0.10127 0.00566 0.04001 -0.00843 0.00923 141 3S 0.25898 0.24860 0.43036 0.13837 -0.16061 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY 0.44164 -0.56245 -0.41304 0.09908 -0.22236 144 3PZ 0.93430 -0.08405 -0.08014 -0.04177 0.15379 145 4S 1.96587 -3.71549 -13.06101 -2.85531 2.69310 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY 3.23331 -1.87558 -4.31873 1.63017 2.14178 148 4PZ 2.82689 0.70874 1.09432 3.32152 -0.63269 149 5S -7.21575 -1.07320 2.05291 14.08803 21.14113 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY -3.89498 0.98211 0.35876 -0.51534 2.54536 152 5PZ -3.09245 2.13318 4.41688 -3.73326 -2.94705 153 6D 0 -0.00157 0.00218 0.01280 0.00354 0.01152 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 -0.00109 -0.03646 0.01805 0.01404 -0.02369 156 6D+2 -0.00172 -0.02434 0.01467 0.01616 -0.00406 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 -0.97979 -0.60639 -0.53166 -0.35991 0.34272 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 0.07387 -0.43940 0.06660 1.29958 1.12877 161 7D+2 -0.39248 -0.09835 1.01327 0.29344 0.52763 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S 0.05451 0.09342 -0.01911 -0.05525 0.01332 164 2S -0.36922 -1.09301 0.80462 1.53889 1.36355 165 3S 0.71743 0.21051 -1.61602 -1.07100 -0.16101 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY -0.01119 -0.00525 -0.03923 -0.00952 0.08091 168 4PZ 0.07269 -0.06972 -0.02984 -0.10495 0.00414 169 8 Mg 1S -0.00033 0.00000 0.00000 0.00365 -0.00037 170 2S -0.00045 0.00000 0.00000 0.00996 0.00012 171 3S -0.00381 0.00000 0.00000 -0.02680 -0.01450 172 4S 0.03274 0.00000 0.00000 -0.08177 0.09268 173 5S -1.28283 0.00000 0.00000 0.94476 -1.72201 174 6S 0.83163 0.00000 0.00000 -1.17691 -3.00017 175 7S 0.02541 0.00000 0.00000 0.12212 0.20308 176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PY 0.00000 -0.08944 0.06579 0.00000 0.00000 178 7PZ 0.10861 0.00000 0.00000 -0.03492 -0.17637 179 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY 0.00000 -0.00705 0.00491 0.00000 0.00000 181 8PZ -0.00992 0.00000 0.00000 0.02445 -0.00969 182 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 9PY 0.00000 -0.00931 0.00530 0.00000 0.00000 184 9PZ -0.02241 0.00000 0.00000 0.04318 -0.03337 185 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 186 10PY 0.00000 0.07487 0.03363 0.00000 0.00000 187 10PZ 0.30012 0.00000 0.00000 -0.52778 0.60567 188 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 11PY 0.00000 0.24770 0.64184 0.00000 0.00000 190 11PZ 1.72013 0.00000 0.00000 0.62142 0.86718 191 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 192 12PY 0.00000 0.13341 0.68575 0.00000 0.00000 193 12PZ -0.41628 0.00000 0.00000 2.21880 2.13876 194 13D 0 -0.07770 0.00000 0.00000 0.43966 -0.23760 195 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 196 13D-1 0.00000 -0.10345 0.06680 0.00000 0.00000 197 13D+2 -0.03820 0.00000 0.00000 0.05999 -0.01900 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.07235 0.00000 0.00000 0.42600 -0.43466 200 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 201 14D-1 0.00000 -0.33221 -0.84224 0.00000 0.00000 202 14D+2 -0.01628 0.00000 0.00000 0.01825 -0.01908 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S -0.00118 0.00000 0.00000 -0.00104 0.00004 205 2S -0.00389 0.00000 0.00000 -0.00348 0.00014 206 3S 0.01124 0.00000 0.00000 0.01044 -0.00051 207 4S 0.01048 0.00000 0.00000 0.00755 0.00010 208 5S -0.01770 0.00000 0.00000 -0.00948 -0.00107 209 6S -0.06616 0.00000 0.00000 -0.07289 0.00624 210 7S 0.39103 0.00000 0.00000 0.42650 -0.03911 211 8S -0.96858 0.00000 0.00000 -1.06068 0.18515 212 9S -0.02822 0.00000 0.00000 -1.81755 -1.08802 213 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 214 9PY 0.00000 0.01796 -0.20913 0.00000 0.00000 215 9PZ -0.11700 0.00000 0.00000 0.41860 0.31137 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00035 -0.00019 0.00000 0.00000 218 10PZ 0.00055 0.00000 0.00000 0.00137 -0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00279 -0.00155 0.00000 0.00000 221 11PZ 0.00435 0.00000 0.00000 0.01107 -0.00013 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 -0.00679 0.00386 0.00000 0.00000 224 12PZ -0.01061 0.00000 0.00000 -0.02874 0.00105 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 -0.01576 0.00729 0.00000 0.00000 227 13PZ -0.02367 0.00000 0.00000 -0.03908 -0.00869 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 0.04065 -0.01830 0.00000 0.00000 230 14PZ 0.06117 0.00000 0.00000 0.11020 0.01882 231 15PX 0.00000 0.00000 0.00000 0.00000 0.00000 232 15PY 0.00000 -0.02528 -0.00577 0.00000 0.00000 233 15PZ -0.04781 0.00000 0.00000 -0.06184 -0.02230 234 16PX 0.00000 0.00000 0.00000 0.00000 0.00000 235 16PY 0.00000 0.08631 0.22964 0.00000 0.00000 236 16PZ 0.56596 0.00000 0.00000 0.64215 -0.06175 237 17D 0 0.01114 0.00000 0.00000 0.01196 0.00418 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00928 0.00538 0.00000 0.00000 240 17D+2 0.00316 0.00000 0.00000 0.00555 -0.00293 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00795 0.00000 0.00000 -0.00819 0.01055 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00825 0.00437 0.00000 0.00000 245 18D+2 0.00490 0.00000 0.00000 0.00836 -0.00472 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 -0.02420 0.00000 0.00000 0.00874 -0.02571 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00000 -0.02406 -0.01261 0.00000 0.00000 250 19D+2 -0.01227 0.00000 0.00000 -0.02120 0.01217 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 -0.09507 0.00000 0.00000 -0.18531 0.02168 253 20D+1 0.00000 0.00000 0.00000 0.00000 0.00000 254 20D-1 0.00000 -0.04035 -0.05247 0.00000 0.00000 255 20D+2 -0.00247 0.00000 0.00000 -0.00426 -0.00012 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.05451 -0.09342 0.01911 -0.05525 0.01332 258 2S -0.36922 1.09301 -0.80462 1.53889 1.36355 259 3S 0.71743 -0.21051 1.61602 -1.07100 -0.16101 260 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 261 4PY 0.01119 -0.00525 -0.03923 0.00952 -0.08091 262 4PZ 0.07269 0.06972 0.02984 -0.10495 0.00414 263 11 H 1S -0.04554 -0.12580 0.00394 0.03783 0.13200 264 2S 0.17657 1.54837 -0.48571 -1.08312 -3.10235 265 3S -0.14504 -1.08359 0.02252 0.44941 2.12634 266 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 267 4PY 0.00059 -0.03109 -0.02928 -0.02956 0.16309 268 4PZ 0.06329 -0.01945 0.03862 -0.04712 -0.13449 269 12 H 1S -0.06720 0.00000 0.00000 0.11520 -0.21781 270 2S 0.22863 0.00000 0.00000 -1.48997 4.04285 271 3S 0.83145 0.00000 0.00000 1.21890 -2.97724 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 -0.10564 -0.05564 0.00000 0.00000 274 4PZ 0.02280 0.00000 0.00000 0.02500 0.27647 275 13 H 1S -0.04554 0.12580 -0.00394 0.03783 0.13200 276 2S 0.17657 -1.54837 0.48571 -1.08312 -3.10235 277 3S -0.14504 1.08359 -0.02252 0.44941 2.12634 278 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 4PY -0.00059 -0.03109 -0.02928 0.02956 -0.16309 280 4PZ 0.06329 0.01945 -0.03862 -0.04712 -0.13449 171 172 173 174 175 (B2)--V (A1)--V (B2)--V (A1)--V (B2)--V Eigenvalues -- 1.51729 1.52920 1.55507 1.57555 1.58717 1 1 C 1S -0.03141 -0.01852 0.01816 0.00132 -0.00459 2 2S -0.07586 -0.04635 0.04806 0.00873 -0.01689 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY -0.06788 -0.05420 -0.09643 0.03598 -0.00376 5 2PZ -0.02758 0.11383 0.12284 -0.06034 0.02988 6 3S 1.28144 0.61121 -0.73457 -0.33365 0.42071 7 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 3PY 0.40069 0.16996 -0.57621 0.51509 -0.15080 9 3PZ 0.17116 0.20249 0.65225 -0.81313 0.25968 10 4S -6.29029 1.60200 -0.35835 3.05849 -1.03072 11 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 12 4PY -2.30275 -1.42040 -3.37955 1.00259 -3.77753 13 4PZ -2.30058 2.50358 6.77454 0.08360 4.94946 14 5S 9.80386 1.16079 4.92428 1.64634 -7.47735 15 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 5PY 1.55174 1.42856 7.10324 -0.15997 7.21394 17 5PZ 0.16073 -1.45424 -12.12262 0.65336 -14.13789 18 6D 0 0.00299 -0.00431 -0.00357 -0.01539 -0.00753 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 0.00624 -0.01220 0.01178 -0.00498 -0.01594 21 6D+2 0.02836 0.00242 -0.00460 -0.00948 -0.00839 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 7D 0 -0.02553 0.64356 1.56959 0.89424 0.14508 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 -1.34049 0.34115 -0.00323 -0.63140 1.43292 26 7D+2 1.27921 0.56703 0.50306 -0.06129 0.57871 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 C 1S 0.00000 -0.05057 0.00000 0.01036 0.00000 29 2S 0.00000 -0.12170 0.00000 0.01457 0.00000 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY 0.07453 0.00000 -0.12763 0.00000 -0.10471 32 2PZ 0.00000 0.03015 0.00000 -0.00512 0.00000 33 3S 0.00000 1.54859 0.00000 0.26838 0.00000 34 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 35 3PY -0.06676 0.00000 -0.27519 0.00000 -1.19257 36 3PZ 0.00000 0.68045 0.00000 -0.25234 0.00000 37 4S 0.00000 1.68167 0.00000 -5.37734 0.00000 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY 0.40518 0.00000 -8.24832 0.00000 -6.03540 40 4PZ 0.00000 -0.84943 0.00000 -1.46686 0.00000 41 5S 0.00000 -6.19252 0.00000 1.58688 0.00000 42 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 5PY 2.24163 0.00000 15.31479 0.00000 14.44617 44 5PZ 0.00000 -0.33501 0.00000 0.30668 0.00000 45 6D 0 0.00000 -0.03080 0.00000 -0.00031 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.02910 0.00000 0.03251 0.00000 -0.02696 48 6D+2 0.00000 0.00367 0.00000 -0.00517 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00000 -0.18222 0.00000 1.00883 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.20872 0.00000 -1.87670 0.00000 -0.68557 53 7D+2 0.00000 0.44527 0.00000 1.61631 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.03141 -0.01852 -0.01816 0.00132 0.00459 56 2S 0.07586 -0.04635 -0.04806 0.00873 0.01689 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY -0.06788 0.05420 -0.09643 -0.03598 -0.00376 59 2PZ 0.02758 0.11383 -0.12284 -0.06034 -0.02988 60 3S -1.28144 0.61121 0.73457 -0.33365 -0.42071 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY 0.40069 -0.16996 -0.57621 -0.51509 -0.15080 63 3PZ -0.17116 0.20249 -0.65225 -0.81313 -0.25968 64 4S 6.29029 1.60200 0.35835 3.05849 1.03072 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY -2.30275 1.42040 -3.37955 -1.00259 -3.77753 67 4PZ 2.30058 2.50358 -6.77454 0.08360 -4.94946 68 5S -9.80386 1.16079 -4.92428 1.64634 7.47735 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY 1.55174 -1.42856 7.10324 0.15997 7.21394 71 5PZ -0.16073 -1.45424 12.12262 0.65336 14.13789 72 6D 0 -0.00299 -0.00431 0.00357 -0.01539 0.00753 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00624 0.01220 0.01178 0.00498 -0.01594 75 6D+2 -0.02836 0.00242 0.00460 -0.00948 0.00839 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.02553 0.64356 -1.56959 0.89424 -0.14508 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 -1.34049 -0.34115 -0.00323 0.63140 1.43292 80 7D+2 -1.27921 0.56703 -0.50306 -0.06129 -0.57871 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S -0.01547 0.02240 -0.03346 -0.00244 0.02096 83 2S -0.03706 0.05414 -0.07762 0.00167 0.04615 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY 0.08296 -0.05682 0.01237 -0.03116 0.06331 86 2PZ 0.00673 0.09989 -0.05083 0.03107 -0.07627 87 3S 0.78030 -0.79060 0.85377 -0.27589 -0.31519 88 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 3PY -0.26076 0.12150 -0.11700 -0.48782 0.58097 90 3PZ -0.06055 0.35933 -0.86141 0.65869 -0.23050 91 4S -7.25602 0.65262 3.58453 1.17136 -5.54812 92 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 4PY 2.64041 -2.40793 2.35017 0.01329 5.16058 94 4PZ 1.61526 2.44047 -4.48808 0.02688 -7.25702 95 5S 19.09676 -5.18342 1.48478 -4.72930 -10.34283 96 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PY -2.73278 2.17784 -6.46194 0.75217 -6.93871 98 5PZ 2.50231 -1.67838 10.80508 0.58452 15.06400 99 6D 0 0.00097 0.01362 0.00250 -0.01480 -0.00697 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 0.00759 0.01548 -0.00669 -0.01167 -0.00104 102 6D+2 0.02389 -0.00555 0.01809 -0.00311 -0.01095 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 0.28100 -0.64745 0.83772 0.91179 0.54159 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 -1.29086 -0.11257 -0.31680 -0.27124 1.72674 107 7D+2 1.34068 -0.90126 0.52306 0.00092 0.76214 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 5 C 1S 0.00000 0.03287 0.00000 -0.00062 0.00000 110 2S 0.00000 0.07540 0.00000 -0.00846 0.00000 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY -0.01858 0.00000 -0.05017 0.00000 0.19268 113 2PZ 0.00000 0.08577 0.00000 0.01043 0.00000 114 3S 0.00000 -0.73548 0.00000 0.52401 0.00000 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY 0.07743 0.00000 0.06965 0.00000 1.38090 117 3PZ 0.00000 0.71755 0.00000 0.05273 0.00000 118 4S 0.00000 -6.36724 0.00000 -3.34819 0.00000 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY 0.97260 0.00000 2.65154 0.00000 11.49818 121 4PZ 0.00000 1.20675 0.00000 -0.08122 0.00000 122 5S 0.00000 10.90844 0.00000 5.77756 0.00000 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 5PY -8.40486 0.00000 -13.35600 0.00000 -11.58452 125 5PZ 0.00000 -2.89552 0.00000 -0.57944 0.00000 126 6D 0 0.00000 0.02694 0.00000 -0.01728 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.03411 0.00000 0.00788 0.00000 0.00341 129 6D+2 0.00000 0.00504 0.00000 -0.00245 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00000 -0.57331 0.00000 0.54205 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 -0.21054 0.00000 -0.35564 0.00000 -1.94835 134 7D+2 0.00000 -0.11481 0.00000 1.37379 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S 0.01547 0.02240 0.03346 -0.00244 -0.02096 137 2S 0.03706 0.05414 0.07762 0.00167 -0.04615 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY 0.08296 0.05682 0.01237 0.03116 0.06331 140 2PZ -0.00673 0.09989 0.05083 0.03107 0.07627 141 3S -0.78030 -0.79060 -0.85377 -0.27589 0.31519 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY -0.26076 -0.12150 -0.11700 0.48782 0.58097 144 3PZ 0.06055 0.35933 0.86141 0.65869 0.23050 145 4S 7.25602 0.65262 -3.58453 1.17136 5.54812 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY 2.64041 2.40793 2.35017 -0.01329 5.16058 148 4PZ -1.61526 2.44047 4.48808 0.02688 7.25702 149 5S -19.09676 -5.18342 -1.48478 -4.72930 10.34283 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY -2.73278 -2.17784 -6.46194 -0.75217 -6.93871 152 5PZ -2.50231 -1.67838 -10.80508 0.58452 -15.06400 153 6D 0 -0.00097 0.01362 -0.00250 -0.01480 0.00697 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00759 -0.01548 -0.00669 0.01167 -0.00104 156 6D+2 -0.02389 -0.00555 -0.01809 -0.00311 0.01095 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 -0.28100 -0.64745 -0.83772 0.91179 -0.54159 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 -1.29086 0.11257 -0.31680 0.27124 1.72674 161 7D+2 -1.34068 -0.90126 -0.52306 0.00092 -0.76214 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S 0.17437 0.06170 0.09180 -0.05931 -0.07199 164 2S -2.30632 -0.74591 -0.71118 0.20425 0.51304 165 3S 2.48738 0.85120 0.68784 -0.29127 -0.35426 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY -0.15791 -0.11559 -0.02084 0.14592 -0.04059 168 4PZ 0.00061 -0.14859 0.06167 0.19006 -0.17662 169 8 Mg 1S 0.00000 -0.00220 0.00000 0.00429 0.00000 170 2S 0.00000 -0.00801 0.00000 0.01332 0.00000 171 3S 0.00000 0.04603 0.00000 -0.05553 0.00000 172 4S 0.00000 -0.08189 0.00000 0.00201 0.00000 173 5S 0.00000 0.50078 0.00000 0.30420 0.00000 174 6S 0.00000 1.78955 0.00000 -0.37882 0.00000 175 7S 0.00000 -0.08018 0.00000 -0.03676 0.00000 176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PY -0.11292 0.00000 -0.06185 0.00000 0.06781 178 7PZ 0.00000 0.16507 0.00000 0.01422 0.00000 179 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY 0.00371 0.00000 0.00869 0.00000 -0.00617 181 8PZ 0.00000 -0.00638 0.00000 0.02546 0.00000 182 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 9PY 0.00440 0.00000 0.00795 0.00000 -0.00372 184 9PZ 0.00000 0.01589 0.00000 0.02301 0.00000 185 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 186 10PY -0.10272 0.00000 -0.17913 0.00000 -0.12737 187 10PZ 0.00000 -0.34710 0.00000 -0.21990 0.00000 188 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 11PY 0.30869 0.00000 0.47152 0.00000 -0.56449 190 11PZ 0.00000 0.56238 0.00000 -0.12108 0.00000 191 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 192 12PY -0.05058 0.00000 0.28447 0.00000 -0.74502 193 12PZ 0.00000 -2.08076 0.00000 0.48937 0.00000 194 13D 0 0.00000 0.16293 0.00000 0.05666 0.00000 195 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 196 13D-1 -0.04077 0.00000 0.00887 0.00000 -0.03672 197 13D+2 0.00000 0.09152 0.00000 -0.09762 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00000 0.45960 0.00000 0.23842 0.00000 200 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 201 14D-1 -0.04175 0.00000 -0.36733 0.00000 0.57298 202 14D+2 0.00000 0.02035 0.00000 0.04187 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 -0.00075 0.00000 -0.00008 0.00000 205 2S 0.00000 -0.00247 0.00000 -0.00027 0.00000 206 3S 0.00000 0.00716 0.00000 0.00073 0.00000 207 4S 0.00000 0.00665 0.00000 0.00092 0.00000 208 5S 0.00000 -0.01117 0.00000 -0.00187 0.00000 209 6S 0.00000 -0.04394 0.00000 -0.00345 0.00000 210 7S 0.00000 0.28357 0.00000 0.02649 0.00000 211 8S 0.00000 -0.83951 0.00000 -0.14493 0.00000 212 9S 0.00000 1.18334 0.00000 -0.31317 0.00000 213 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 214 9PY 0.11426 0.00000 -0.03527 0.00000 0.11794 215 9PZ 0.00000 -0.43579 0.00000 0.07262 0.00000 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00026 0.00000 0.00015 0.00000 -0.00009 218 10PZ 0.00000 0.00091 0.00000 -0.00007 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00205 0.00000 0.00116 0.00000 -0.00079 221 11PZ 0.00000 0.00730 0.00000 -0.00051 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY -0.00496 0.00000 -0.00248 0.00000 0.00232 224 12PZ 0.00000 -0.01859 0.00000 0.00113 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY -0.01268 0.00000 -0.01134 0.00000 -0.00057 227 13PZ 0.00000 -0.03276 0.00000 0.00471 0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY 0.03305 0.00000 0.02909 0.00000 0.00038 230 14PZ 0.00000 0.08984 0.00000 -0.01248 0.00000 231 15PX 0.00000 0.00000 0.00000 0.00000 0.00000 232 15PY -0.02019 0.00000 -0.03643 0.00000 -0.01698 233 15PZ 0.00000 -0.04328 0.00000 0.01794 0.00000 234 16PX 0.00000 0.00000 0.00000 0.00000 0.00000 235 16PY -0.00143 0.00000 0.13579 0.00000 -0.04984 236 16PZ 0.00000 0.44011 0.00000 0.03555 0.00000 237 17D 0 0.00000 0.00509 0.00000 -0.00182 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00784 0.00000 0.01991 0.00000 0.01062 240 17D+2 0.00000 0.01578 0.00000 -0.00001 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 -0.00106 0.00000 -0.00149 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.01105 0.00000 0.02826 0.00000 0.01697 245 18D+2 0.00000 0.02599 0.00000 -0.00006 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 -0.00178 0.00000 0.00490 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 -0.02972 0.00000 -0.07628 0.00000 -0.04524 250 19D+2 0.00000 -0.06722 0.00000 0.00018 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00000 -0.07834 0.00000 0.00500 0.00000 253 20D+1 0.00000 0.00000 0.00000 0.00000 0.00000 254 20D-1 -0.00250 0.00000 -0.02167 0.00000 0.02228 255 20D+2 0.00000 0.00559 0.00000 -0.00163 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S -0.17437 0.06170 -0.09180 -0.05931 0.07199 258 2S 2.30632 -0.74591 0.71118 0.20425 -0.51304 259 3S -2.48738 0.85120 -0.68784 -0.29127 0.35426 260 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 261 4PY -0.15791 0.11559 -0.02084 -0.14592 -0.04059 262 4PZ -0.00061 -0.14859 -0.06167 0.19006 0.17662 263 11 H 1S 0.18301 -0.02218 0.03205 -0.04139 -0.05043 264 2S -2.19754 0.19733 -0.52728 0.36574 0.65908 265 3S 2.23893 -0.18842 0.25175 -0.16138 -0.26431 266 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 267 4PY 0.13193 -0.12455 0.10757 -0.14959 0.00122 268 4PZ -0.05752 -0.21168 0.06540 -0.14795 0.13801 269 12 H 1S 0.00000 -0.07812 0.00000 0.09456 0.00000 270 2S 0.00000 0.26030 0.00000 -0.72227 0.00000 271 3S 0.00000 -0.50123 0.00000 0.24465 0.00000 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY -0.15502 0.00000 0.32830 0.00000 -0.16134 274 4PZ 0.00000 -0.00736 0.00000 -0.10355 0.00000 275 13 H 1S -0.18301 -0.02218 -0.03205 -0.04139 0.05043 276 2S 2.19754 0.19733 0.52728 0.36574 -0.65908 277 3S -2.23893 -0.18842 -0.25175 -0.16138 0.26431 278 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 4PY 0.13193 0.12455 0.10757 0.14959 0.00122 280 4PZ 0.05752 -0.21168 -0.06540 -0.14795 -0.13801 176 177 178 179 180 (A2)--V (B1)--V (B2)--V (A1)--V (A2)--V Eigenvalues -- 1.58904 1.65742 1.70152 1.73507 1.77826 1 1 C 1S 0.00000 0.00000 0.02376 -0.02250 0.00000 2 2S 0.00000 0.00000 0.05278 -0.04647 0.00000 3 2PX -0.00724 -0.05755 0.00000 0.00000 -0.11745 4 2PY 0.00000 0.00000 0.02385 0.03897 0.00000 5 2PZ 0.00000 0.00000 -0.03014 0.03559 0.00000 6 3S 0.00000 0.00000 -0.46489 0.18834 0.00000 7 3PX -0.00949 -0.08645 0.00000 0.00000 -0.09819 8 3PY 0.00000 0.00000 -0.01805 0.28097 0.00000 9 3PZ 0.00000 0.00000 -0.69565 0.17138 0.00000 10 4S 0.00000 0.00000 -3.39673 9.35257 0.00000 11 4PX -0.03408 -0.19934 0.00000 0.00000 -0.20476 12 4PY 0.00000 0.00000 -0.31716 2.31973 0.00000 13 4PZ 0.00000 0.00000 -0.39616 2.57421 0.00000 14 5S 0.00000 0.00000 8.71231 -18.49339 0.00000 15 5PX 0.02218 0.07135 0.00000 0.00000 0.05897 16 5PY 0.00000 0.00000 -0.18961 -1.26908 0.00000 17 5PZ 0.00000 0.00000 3.00905 -3.64924 0.00000 18 6D 0 0.00000 0.00000 -0.01152 -0.03519 0.00000 19 6D+1 0.01291 -0.00661 0.00000 0.00000 0.01251 20 6D-1 0.00000 0.00000 -0.01067 -0.02408 0.00000 21 6D+2 0.00000 0.00000 -0.01482 0.00078 0.00000 22 6D-2 -0.00599 -0.01368 0.00000 0.00000 0.00804 23 7D 0 0.00000 0.00000 -0.51870 0.85316 0.00000 24 7D+1 -1.46137 -0.00168 0.00000 0.00000 0.33090 25 7D-1 0.00000 0.00000 0.78605 -0.55227 0.00000 26 7D+2 0.00000 0.00000 0.12042 -0.22464 0.00000 27 7D-2 0.81853 0.25145 0.00000 0.00000 0.15836 28 2 C 1S 0.00000 0.00000 0.00000 0.01688 0.00000 29 2S 0.00000 0.00000 0.00000 0.03488 0.00000 30 2PX 0.00000 -0.06268 0.00000 0.00000 0.00000 31 2PY 0.00000 0.00000 -0.10267 0.00000 0.00000 32 2PZ 0.00000 0.00000 0.00000 0.02803 0.00000 33 3S 0.00000 0.00000 0.00000 -0.24751 0.00000 34 3PX 0.00000 -0.10354 0.00000 0.00000 0.00000 35 3PY 0.00000 0.00000 -0.52758 0.00000 0.00000 36 3PZ 0.00000 0.00000 0.00000 -0.36310 0.00000 37 4S 0.00000 0.00000 0.00000 -6.19412 0.00000 38 4PX 0.00000 -0.18346 0.00000 0.00000 0.00000 39 4PY 0.00000 0.00000 -0.73159 0.00000 0.00000 40 4PZ 0.00000 0.00000 0.00000 -2.25691 0.00000 41 5S 0.00000 0.00000 0.00000 8.69383 0.00000 42 5PX 0.00000 0.02326 0.00000 0.00000 0.00000 43 5PY 0.00000 0.00000 -1.03064 0.00000 0.00000 44 5PZ 0.00000 0.00000 0.00000 2.40907 0.00000 45 6D 0 0.00000 0.00000 0.00000 -0.00645 0.00000 46 6D+1 0.00000 -0.01735 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00000 -0.01920 0.00000 0.00000 48 6D+2 0.00000 0.00000 0.00000 -0.02055 0.00000 49 6D-2 -0.01222 0.00000 0.00000 0.00000 -0.01567 50 7D 0 0.00000 0.00000 0.00000 0.96113 0.00000 51 7D+1 0.00000 0.24426 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.00000 0.08671 0.00000 0.00000 53 7D+2 0.00000 0.00000 0.00000 0.93771 0.00000 54 7D-2 1.65194 0.00000 0.00000 0.00000 -0.33849 55 3 C 1S 0.00000 0.00000 -0.02376 -0.02250 0.00000 56 2S 0.00000 0.00000 -0.05278 -0.04647 0.00000 57 2PX 0.00724 -0.05755 0.00000 0.00000 0.11745 58 2PY 0.00000 0.00000 0.02385 -0.03897 0.00000 59 2PZ 0.00000 0.00000 0.03014 0.03559 0.00000 60 3S 0.00000 0.00000 0.46489 0.18834 0.00000 61 3PX 0.00949 -0.08645 0.00000 0.00000 0.09819 62 3PY 0.00000 0.00000 -0.01805 -0.28097 0.00000 63 3PZ 0.00000 0.00000 0.69565 0.17138 0.00000 64 4S 0.00000 0.00000 3.39673 9.35257 0.00000 65 4PX 0.03408 -0.19934 0.00000 0.00000 0.20476 66 4PY 0.00000 0.00000 -0.31716 -2.31973 0.00000 67 4PZ 0.00000 0.00000 0.39616 2.57421 0.00000 68 5S 0.00000 0.00000 -8.71231 -18.49339 0.00000 69 5PX -0.02218 0.07135 0.00000 0.00000 -0.05897 70 5PY 0.00000 0.00000 -0.18961 1.26908 0.00000 71 5PZ 0.00000 0.00000 -3.00905 -3.64924 0.00000 72 6D 0 0.00000 0.00000 0.01152 -0.03519 0.00000 73 6D+1 -0.01291 -0.00661 0.00000 0.00000 -0.01251 74 6D-1 0.00000 0.00000 -0.01067 0.02408 0.00000 75 6D+2 0.00000 0.00000 0.01482 0.00078 0.00000 76 6D-2 -0.00599 0.01368 0.00000 0.00000 0.00804 77 7D 0 0.00000 0.00000 0.51870 0.85316 0.00000 78 7D+1 1.46137 -0.00168 0.00000 0.00000 -0.33090 79 7D-1 0.00000 0.00000 0.78605 0.55227 0.00000 80 7D+2 0.00000 0.00000 -0.12042 -0.22464 0.00000 81 7D-2 0.81853 -0.25145 0.00000 0.00000 0.15836 82 4 C 1S 0.00000 0.00000 -0.02674 0.00352 0.00000 83 2S 0.00000 0.00000 -0.07365 0.00579 0.00000 84 2PX -0.00341 0.01043 0.00000 0.00000 0.12052 85 2PY 0.00000 0.00000 -0.05254 0.05656 0.00000 86 2PZ 0.00000 0.00000 0.04780 0.13372 0.00000 87 3S 0.00000 0.00000 1.30260 0.37165 0.00000 88 3PX -0.02080 0.00363 0.00000 0.00000 0.09726 89 3PY 0.00000 0.00000 -0.56556 0.17767 0.00000 90 3PZ 0.00000 0.00000 0.53528 0.23414 0.00000 91 4S 0.00000 0.00000 -2.41371 -12.49358 0.00000 92 4PX -0.03653 0.01328 0.00000 0.00000 0.21623 93 4PY 0.00000 0.00000 -0.08256 3.60544 0.00000 94 4PZ 0.00000 0.00000 1.51934 2.75298 0.00000 95 5S 0.00000 0.00000 14.18197 23.45485 0.00000 96 5PX 0.02562 -0.04754 0.00000 0.00000 -0.08020 97 5PY 0.00000 0.00000 -0.72389 -2.06868 0.00000 98 5PZ 0.00000 0.00000 -3.05557 -2.98322 0.00000 99 6D 0 0.00000 0.00000 0.00534 -0.03898 0.00000 100 6D+1 -0.00843 0.00173 0.00000 0.00000 0.01326 101 6D-1 0.00000 0.00000 0.00066 -0.01031 0.00000 102 6D+2 0.00000 0.00000 0.01800 0.00893 0.00000 103 6D-2 0.00422 0.02705 0.00000 0.00000 0.00785 104 7D 0 0.00000 0.00000 -1.22081 -0.48543 0.00000 105 7D+1 1.48205 -0.21000 0.00000 0.00000 0.19728 106 7D-1 0.00000 0.00000 0.78558 -0.18456 0.00000 107 7D+2 0.00000 0.00000 0.26863 1.00052 0.00000 108 7D-2 -0.78655 -0.16732 0.00000 0.00000 0.24737 109 5 C 1S 0.00000 0.00000 0.00000 0.03689 0.00000 110 2S 0.00000 0.00000 0.00000 0.09430 0.00000 111 2PX 0.00000 0.02721 0.00000 0.00000 0.00000 112 2PY 0.00000 0.00000 -0.10035 0.00000 0.00000 113 2PZ 0.00000 0.00000 0.00000 0.00057 0.00000 114 3S 0.00000 0.00000 0.00000 -1.71852 0.00000 115 3PX 0.00000 -0.00058 0.00000 0.00000 0.00000 116 3PY 0.00000 0.00000 0.62472 0.00000 0.00000 117 3PZ 0.00000 0.00000 0.00000 -0.51140 0.00000 118 4S 0.00000 0.00000 0.00000 15.25005 0.00000 119 4PX 0.00000 -0.08048 0.00000 0.00000 0.00000 120 4PY 0.00000 0.00000 -1.78651 0.00000 0.00000 121 4PZ 0.00000 0.00000 0.00000 -3.49872 0.00000 122 5S 0.00000 0.00000 0.00000 -18.99000 0.00000 123 5PX 0.00000 0.13749 0.00000 0.00000 0.00000 124 5PY 0.00000 0.00000 -3.11595 0.00000 0.00000 125 5PZ 0.00000 0.00000 0.00000 2.75974 0.00000 126 6D 0 0.00000 0.00000 0.00000 0.04633 0.00000 127 6D+1 0.00000 0.03003 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00000 -0.00472 0.00000 0.00000 129 6D+2 0.00000 0.00000 0.00000 -0.00519 0.00000 130 6D-2 0.01533 0.00000 0.00000 0.00000 -0.01827 131 7D 0 0.00000 0.00000 0.00000 1.91551 0.00000 132 7D+1 0.00000 0.25201 0.00000 0.00000 0.00000 133 7D-1 0.00000 0.00000 1.78805 0.00000 0.00000 134 7D+2 0.00000 0.00000 0.00000 -0.67332 0.00000 135 7D-2 -1.63121 0.00000 0.00000 0.00000 -0.19938 136 6 C 1S 0.00000 0.00000 0.02674 0.00352 0.00000 137 2S 0.00000 0.00000 0.07365 0.00579 0.00000 138 2PX 0.00341 0.01043 0.00000 0.00000 -0.12052 139 2PY 0.00000 0.00000 -0.05254 -0.05656 0.00000 140 2PZ 0.00000 0.00000 -0.04780 0.13372 0.00000 141 3S 0.00000 0.00000 -1.30260 0.37165 0.00000 142 3PX 0.02080 0.00363 0.00000 0.00000 -0.09726 143 3PY 0.00000 0.00000 -0.56556 -0.17767 0.00000 144 3PZ 0.00000 0.00000 -0.53528 0.23414 0.00000 145 4S 0.00000 0.00000 2.41371 -12.49358 0.00000 146 4PX 0.03653 0.01328 0.00000 0.00000 -0.21623 147 4PY 0.00000 0.00000 -0.08256 -3.60544 0.00000 148 4PZ 0.00000 0.00000 -1.51934 2.75298 0.00000 149 5S 0.00000 0.00000 -14.18197 23.45485 0.00000 150 5PX -0.02562 -0.04754 0.00000 0.00000 0.08020 151 5PY 0.00000 0.00000 -0.72389 2.06868 0.00000 152 5PZ 0.00000 0.00000 3.05557 -2.98322 0.00000 153 6D 0 0.00000 0.00000 -0.00534 -0.03898 0.00000 154 6D+1 0.00843 0.00173 0.00000 0.00000 -0.01326 155 6D-1 0.00000 0.00000 0.00066 0.01031 0.00000 156 6D+2 0.00000 0.00000 -0.01800 0.00893 0.00000 157 6D-2 0.00422 -0.02705 0.00000 0.00000 0.00785 158 7D 0 0.00000 0.00000 1.22081 -0.48543 0.00000 159 7D+1 -1.48205 -0.21000 0.00000 0.00000 -0.19728 160 7D-1 0.00000 0.00000 0.78558 0.18456 0.00000 161 7D+2 0.00000 0.00000 -0.26863 1.00052 0.00000 162 7D-2 -0.78655 0.16732 0.00000 0.00000 0.24737 163 7 H 1S 0.00000 0.00000 -0.05189 -0.16785 0.00000 164 2S 0.00000 0.00000 0.21677 1.18173 0.00000 165 3S 0.00000 0.00000 -0.07486 -1.66917 0.00000 166 4PX 0.02251 0.39041 0.00000 0.00000 0.59632 167 4PY 0.00000 0.00000 0.11394 -0.04384 0.00000 168 4PZ 0.00000 0.00000 0.09691 -0.03886 0.00000 169 8 Mg 1S 0.00000 0.00000 0.00000 -0.00924 0.00000 170 2S 0.00000 0.00000 0.00000 -0.02457 0.00000 171 3S 0.00000 0.00000 0.00000 0.05875 0.00000 172 4S 0.00000 0.00000 0.00000 0.28189 0.00000 173 5S 0.00000 0.00000 0.00000 -1.86008 0.00000 174 6S 0.00000 0.00000 0.00000 -0.01040 0.00000 175 7S 0.00000 0.00000 0.00000 -0.18492 0.00000 176 7PX 0.00000 -0.02464 0.00000 0.00000 0.00000 177 7PY 0.00000 0.00000 -0.04576 0.00000 0.00000 178 7PZ 0.00000 0.00000 0.00000 -0.05573 0.00000 179 8PX 0.00000 0.00776 0.00000 0.00000 0.00000 180 8PY 0.00000 0.00000 0.03923 0.00000 0.00000 181 8PZ 0.00000 0.00000 0.00000 -0.07042 0.00000 182 9PX 0.00000 0.00799 0.00000 0.00000 0.00000 183 9PY 0.00000 0.00000 0.05051 0.00000 0.00000 184 9PZ 0.00000 0.00000 0.00000 -0.14577 0.00000 185 10PX 0.00000 -0.06836 0.00000 0.00000 0.00000 186 10PY 0.00000 0.00000 -0.50436 0.00000 0.00000 187 10PZ 0.00000 0.00000 0.00000 1.61633 0.00000 188 11PX 0.00000 0.02916 0.00000 0.00000 0.00000 189 11PY 0.00000 0.00000 0.76543 0.00000 0.00000 190 11PZ 0.00000 0.00000 0.00000 -0.94823 0.00000 191 12PX 0.00000 -0.07150 0.00000 0.00000 0.00000 192 12PY 0.00000 0.00000 0.82077 0.00000 0.00000 193 12PZ 0.00000 0.00000 0.00000 -0.10009 0.00000 194 13D 0 0.00000 0.00000 0.00000 -0.99783 0.00000 195 13D+1 0.00000 0.08450 0.00000 0.00000 0.00000 196 13D-1 0.00000 0.00000 0.44597 0.00000 0.00000 197 13D+2 0.00000 0.00000 0.00000 0.00488 0.00000 198 13D-2 0.12248 0.00000 0.00000 0.00000 0.00377 199 14D 0 0.00000 0.00000 0.00000 -1.27609 0.00000 200 14D+1 0.00000 0.00866 0.00000 0.00000 0.00000 201 14D-1 0.00000 0.00000 -0.61756 0.00000 0.00000 202 14D+2 0.00000 0.00000 0.00000 -0.00077 0.00000 203 14D-2 -0.03164 0.00000 0.00000 0.00000 0.00620 204 9 Br 1S 0.00000 0.00000 0.00000 0.00097 0.00000 205 2S 0.00000 0.00000 0.00000 0.00326 0.00000 206 3S 0.00000 0.00000 0.00000 -0.00999 0.00000 207 4S 0.00000 0.00000 0.00000 -0.00630 0.00000 208 5S 0.00000 0.00000 0.00000 0.00611 0.00000 209 6S 0.00000 0.00000 0.00000 0.07861 0.00000 210 7S 0.00000 0.00000 0.00000 -0.53231 0.00000 211 8S 0.00000 0.00000 0.00000 1.77687 0.00000 212 9S 0.00000 0.00000 0.00000 0.58831 0.00000 213 9PX 0.00000 0.05187 0.00000 0.00000 0.00000 214 9PY 0.00000 0.00000 -0.12014 0.00000 0.00000 215 9PZ 0.00000 0.00000 0.00000 0.01609 0.00000 216 10PX 0.00000 -0.00009 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 -0.00111 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00000 -0.00518 0.00000 219 11PX 0.00000 -0.00071 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 -0.00875 0.00000 0.00000 221 11PZ 0.00000 0.00000 0.00000 -0.04146 0.00000 222 12PX 0.00000 0.00154 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00000 0.02101 0.00000 0.00000 224 12PZ 0.00000 0.00000 0.00000 0.10488 0.00000 225 13PX 0.00000 0.00694 0.00000 0.00000 0.00000 226 13PY 0.00000 0.00000 0.05895 0.00000 0.00000 227 13PZ 0.00000 0.00000 0.00000 0.21254 0.00000 228 14PX 0.00000 -0.01818 0.00000 0.00000 0.00000 229 14PY 0.00000 0.00000 -0.15800 0.00000 0.00000 230 14PZ 0.00000 0.00000 0.00000 -0.59751 0.00000 231 15PX 0.00000 0.02251 0.00000 0.00000 0.00000 232 15PY 0.00000 0.00000 0.12153 0.00000 0.00000 233 15PZ 0.00000 0.00000 0.00000 0.38522 0.00000 234 16PX 0.00000 -0.03823 0.00000 0.00000 0.00000 235 16PY 0.00000 0.00000 0.04896 0.00000 0.00000 236 16PZ 0.00000 0.00000 0.00000 -1.12737 0.00000 237 17D 0 0.00000 0.00000 0.00000 0.01315 0.00000 238 17D+1 0.00000 -0.01009 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 -0.00747 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00000 -0.00917 0.00000 241 17D-2 0.00408 0.00000 0.00000 0.00000 0.00336 242 18D 0 0.00000 0.00000 0.00000 0.06095 0.00000 243 18D+1 0.00000 -0.01430 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00000 -0.00492 0.00000 0.00000 245 18D+2 0.00000 0.00000 0.00000 -0.01574 0.00000 246 18D-2 0.00688 0.00000 0.00000 0.00000 0.00568 247 19D 0 0.00000 0.00000 0.00000 -0.14216 0.00000 248 19D+1 0.00000 0.03979 0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00000 0.01911 0.00000 0.00000 250 19D+2 0.00000 0.00000 0.00000 0.04228 0.00000 251 19D-2 -0.01799 0.00000 0.00000 0.00000 -0.01548 252 20D 0 0.00000 0.00000 0.00000 0.28807 0.00000 253 20D+1 0.00000 -0.00079 0.00000 0.00000 0.00000 254 20D-1 0.00000 0.00000 -0.00697 0.00000 0.00000 255 20D+2 0.00000 0.00000 0.00000 -0.01391 0.00000 256 20D-2 0.00457 0.00000 0.00000 0.00000 0.00544 257 10 H 1S 0.00000 0.00000 0.05189 -0.16785 0.00000 258 2S 0.00000 0.00000 -0.21677 1.18173 0.00000 259 3S 0.00000 0.00000 0.07486 -1.66917 0.00000 260 4PX -0.02251 0.39041 0.00000 0.00000 -0.59632 261 4PY 0.00000 0.00000 0.11394 0.04384 0.00000 262 4PZ 0.00000 0.00000 -0.09691 -0.03886 0.00000 263 11 H 1S 0.00000 0.00000 -0.06763 -0.03704 0.00000 264 2S 0.00000 0.00000 0.39636 0.20209 0.00000 265 3S 0.00000 0.00000 -0.22502 0.56813 0.00000 266 4PX -0.01256 0.58546 0.00000 0.00000 -0.58601 267 4PY 0.00000 0.00000 0.08639 -0.01436 0.00000 268 4PZ 0.00000 0.00000 0.27263 -0.05403 0.00000 269 12 H 1S 0.00000 0.00000 0.00000 0.08436 0.00000 270 2S 0.00000 0.00000 0.00000 -0.93360 0.00000 271 3S 0.00000 0.00000 0.00000 0.25093 0.00000 272 4PX 0.00000 0.62774 0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 -0.14806 0.00000 0.00000 274 4PZ 0.00000 0.00000 0.00000 -0.09898 0.00000 275 13 H 1S 0.00000 0.00000 0.06763 -0.03704 0.00000 276 2S 0.00000 0.00000 -0.39636 0.20209 0.00000 277 3S 0.00000 0.00000 0.22502 0.56813 0.00000 278 4PX 0.01256 0.58546 0.00000 0.00000 0.58601 279 4PY 0.00000 0.00000 0.08639 0.01436 0.00000 280 4PZ 0.00000 0.00000 -0.27263 -0.05403 0.00000 181 182 183 184 185 (A2)--V (A1)--V (B1)--V (A1)--V (B1)--V Eigenvalues -- 1.83770 1.84735 1.88075 1.89946 1.93604 1 1 C 1S 0.00000 -0.00094 0.00000 0.02715 0.00000 2 2S 0.00000 -0.00183 0.00000 0.06238 0.00000 3 2PX 0.00157 0.00000 -0.02061 0.00000 -0.00258 4 2PY 0.00000 -0.00044 0.00000 0.04563 0.00000 5 2PZ 0.00000 -0.00457 0.00000 0.02881 0.00000 6 3S 0.00000 -0.00806 0.00000 -0.32137 0.00000 7 3PX -0.00274 0.00000 -0.02384 0.00000 -0.00142 8 3PY 0.00000 0.02607 0.00000 -0.55019 0.00000 9 3PZ 0.00000 0.00460 0.00000 -0.40164 0.00000 10 4S 0.00000 1.26091 0.00000 -26.57417 0.00000 11 4PX -0.00596 0.00000 0.00317 0.00000 -0.01332 12 4PY 0.00000 0.70789 0.00000 -8.76604 0.00000 13 4PZ 0.00000 0.01400 0.00000 -4.61732 0.00000 14 5S 0.00000 -0.88719 0.00000 14.40518 0.00000 15 5PX -0.07559 0.00000 -0.11592 0.00000 0.08370 16 5PY 0.00000 0.54393 0.00000 3.20407 0.00000 17 5PZ 0.00000 -0.60865 0.00000 0.62484 0.00000 18 6D 0 0.00000 -0.00236 0.00000 0.00527 0.00000 19 6D+1 -0.00188 0.00000 -0.03312 0.00000 -0.00313 20 6D-1 0.00000 0.00348 0.00000 -0.03890 0.00000 21 6D+2 0.00000 -0.00119 0.00000 0.02416 0.00000 22 6D-2 -0.00005 0.00000 0.02380 0.00000 0.00569 23 7D 0 0.00000 0.12692 0.00000 -2.56088 0.00000 24 7D+1 -0.01789 0.00000 -0.10142 0.00000 -0.01259 25 7D-1 0.00000 -0.23902 0.00000 3.59739 0.00000 26 7D+2 0.00000 -0.02569 0.00000 0.15522 0.00000 27 7D-2 -0.00339 0.00000 0.04068 0.00000 -0.02080 28 2 C 1S 0.00000 0.00317 0.00000 -0.02393 0.00000 29 2S 0.00000 0.00735 0.00000 -0.05259 0.00000 30 2PX 0.00000 0.00000 -0.15526 0.00000 -0.01688 31 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 32 2PZ 0.00000 0.00373 0.00000 -0.04638 0.00000 33 3S 0.00000 -0.06598 0.00000 0.17145 0.00000 34 3PX 0.00000 0.00000 -0.04526 0.00000 0.00122 35 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 36 3PZ 0.00000 -0.06176 0.00000 0.58508 0.00000 37 4S 0.00000 -1.88867 0.00000 27.17151 0.00000 38 4PX 0.00000 0.00000 -0.14037 0.00000 0.00443 39 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 40 4PZ 0.00000 -0.49076 0.00000 9.95254 0.00000 41 5S 0.00000 -1.90007 0.00000 -17.54661 0.00000 42 5PX 0.00000 0.00000 0.17311 0.00000 -0.05168 43 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 44 5PZ 0.00000 -0.09492 0.00000 -2.85856 0.00000 45 6D 0 0.00000 -0.00167 0.00000 0.04634 0.00000 46 6D+1 0.00000 0.00000 0.03392 0.00000 0.00624 47 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 48 6D+2 0.00000 -0.00035 0.00000 0.00874 0.00000 49 6D-2 -0.00089 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00000 0.17000 0.00000 -2.88065 0.00000 51 7D+1 0.00000 0.00000 0.60207 0.00000 0.09791 52 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 53 7D+2 0.00000 0.19155 0.00000 -3.33431 0.00000 54 7D-2 0.00618 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.00000 -0.00094 0.00000 0.02715 0.00000 56 2S 0.00000 -0.00183 0.00000 0.06238 0.00000 57 2PX -0.00157 0.00000 -0.02061 0.00000 -0.00258 58 2PY 0.00000 0.00044 0.00000 -0.04563 0.00000 59 2PZ 0.00000 -0.00457 0.00000 0.02881 0.00000 60 3S 0.00000 -0.00806 0.00000 -0.32137 0.00000 61 3PX 0.00274 0.00000 -0.02384 0.00000 -0.00142 62 3PY 0.00000 -0.02607 0.00000 0.55019 0.00000 63 3PZ 0.00000 0.00460 0.00000 -0.40164 0.00000 64 4S 0.00000 1.26091 0.00000 -26.57417 0.00000 65 4PX 0.00596 0.00000 0.00317 0.00000 -0.01332 66 4PY 0.00000 -0.70789 0.00000 8.76604 0.00000 67 4PZ 0.00000 0.01400 0.00000 -4.61732 0.00000 68 5S 0.00000 -0.88719 0.00000 14.40518 0.00000 69 5PX 0.07559 0.00000 -0.11592 0.00000 0.08370 70 5PY 0.00000 -0.54393 0.00000 -3.20407 0.00000 71 5PZ 0.00000 -0.60865 0.00000 0.62484 0.00000 72 6D 0 0.00000 -0.00236 0.00000 0.00527 0.00000 73 6D+1 0.00188 0.00000 -0.03312 0.00000 -0.00313 74 6D-1 0.00000 -0.00348 0.00000 0.03890 0.00000 75 6D+2 0.00000 -0.00119 0.00000 0.02416 0.00000 76 6D-2 -0.00005 0.00000 -0.02380 0.00000 -0.00569 77 7D 0 0.00000 0.12692 0.00000 -2.56088 0.00000 78 7D+1 0.01789 0.00000 -0.10142 0.00000 -0.01259 79 7D-1 0.00000 0.23902 0.00000 -3.59739 0.00000 80 7D+2 0.00000 -0.02569 0.00000 0.15522 0.00000 81 7D-2 -0.00339 0.00000 -0.04068 0.00000 0.02080 82 4 C 1S 0.00000 0.00141 0.00000 -0.02629 0.00000 83 2S 0.00000 0.00251 0.00000 -0.05388 0.00000 84 2PX 0.00823 0.00000 0.05510 0.00000 0.00739 85 2PY 0.00000 0.00099 0.00000 0.02784 0.00000 86 2PZ 0.00000 -0.00411 0.00000 0.04139 0.00000 87 3S 0.00000 0.03055 0.00000 0.05376 0.00000 88 3PX 0.00031 0.00000 0.00740 0.00000 -0.00510 89 3PY 0.00000 0.02348 0.00000 -0.37491 0.00000 90 3PZ 0.00000 0.01478 0.00000 -0.36427 0.00000 91 4S 0.00000 -1.89668 0.00000 26.79909 0.00000 92 4PX 0.01151 0.00000 -0.15980 0.00000 0.04090 93 4PY 0.00000 1.01103 0.00000 -8.62384 0.00000 94 4PZ 0.00000 -0.19711 0.00000 -4.48374 0.00000 95 5S 0.00000 -0.08513 0.00000 -13.36879 0.00000 96 5PX -0.11508 0.00000 0.18993 0.00000 -0.01691 97 5PY 0.00000 0.75712 0.00000 2.96127 0.00000 98 5PZ 0.00000 -1.35828 0.00000 0.34926 0.00000 99 6D 0 0.00000 -0.00103 0.00000 -0.02158 0.00000 100 6D+1 -0.00411 0.00000 0.01984 0.00000 0.00205 101 6D-1 0.00000 -0.00104 0.00000 0.03571 0.00000 102 6D+2 0.00000 0.00195 0.00000 -0.01539 0.00000 103 6D-2 0.00259 0.00000 -0.00242 0.00000 -0.01136 104 7D 0 0.00000 -0.07859 0.00000 2.70464 0.00000 105 7D+1 0.02491 0.00000 0.10201 0.00000 0.01992 106 7D-1 0.00000 0.23092 0.00000 -3.58831 0.00000 107 7D+2 0.00000 0.12108 0.00000 -0.16741 0.00000 108 7D-2 -0.00181 0.00000 0.67077 0.00000 0.05627 109 5 C 1S 0.00000 -0.00405 0.00000 0.04388 0.00000 110 2S 0.00000 -0.00913 0.00000 0.10516 0.00000 111 2PX 0.00000 0.00000 0.09061 0.00000 0.03668 112 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 113 2PZ 0.00000 -0.00793 0.00000 -0.05483 0.00000 114 3S 0.00000 0.04135 0.00000 -0.70025 0.00000 115 3PX 0.00000 0.00000 0.09113 0.00000 0.02971 116 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 3PZ 0.00000 -0.07958 0.00000 0.16535 0.00000 118 4S 0.00000 2.91615 0.00000 -26.49895 0.00000 119 4PX 0.00000 0.00000 0.65685 0.00000 -0.23585 120 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4PZ 0.00000 -1.09246 0.00000 10.81726 0.00000 122 5S 0.00000 4.24893 0.00000 18.53478 0.00000 123 5PX 0.00000 0.00000 -0.41637 0.00000 -0.16240 124 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 125 5PZ 0.00000 0.70342 0.00000 -0.90433 0.00000 126 6D 0 0.00000 0.00445 0.00000 -0.04507 0.00000 127 6D+1 0.00000 0.00000 -0.01569 0.00000 -0.02760 128 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 129 6D+2 0.00000 -0.00039 0.00000 -0.00706 0.00000 130 6D-2 -0.00844 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00000 -0.04616 0.00000 2.70296 0.00000 132 7D+1 0.00000 0.00000 -0.54485 0.00000 -0.14596 133 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 134 7D+2 0.00000 -0.22555 0.00000 3.25243 0.00000 135 7D-2 -0.04453 0.00000 0.00000 0.00000 0.00000 136 6 C 1S 0.00000 0.00141 0.00000 -0.02629 0.00000 137 2S 0.00000 0.00251 0.00000 -0.05388 0.00000 138 2PX -0.00823 0.00000 0.05510 0.00000 0.00739 139 2PY 0.00000 -0.00099 0.00000 -0.02784 0.00000 140 2PZ 0.00000 -0.00411 0.00000 0.04139 0.00000 141 3S 0.00000 0.03055 0.00000 0.05376 0.00000 142 3PX -0.00031 0.00000 0.00740 0.00000 -0.00510 143 3PY 0.00000 -0.02348 0.00000 0.37491 0.00000 144 3PZ 0.00000 0.01478 0.00000 -0.36427 0.00000 145 4S 0.00000 -1.89668 0.00000 26.79909 0.00000 146 4PX -0.01151 0.00000 -0.15980 0.00000 0.04090 147 4PY 0.00000 -1.01103 0.00000 8.62384 0.00000 148 4PZ 0.00000 -0.19711 0.00000 -4.48374 0.00000 149 5S 0.00000 -0.08513 0.00000 -13.36879 0.00000 150 5PX 0.11508 0.00000 0.18993 0.00000 -0.01691 151 5PY 0.00000 -0.75712 0.00000 -2.96127 0.00000 152 5PZ 0.00000 -1.35828 0.00000 0.34926 0.00000 153 6D 0 0.00000 -0.00103 0.00000 -0.02158 0.00000 154 6D+1 0.00411 0.00000 0.01984 0.00000 0.00205 155 6D-1 0.00000 0.00104 0.00000 -0.03571 0.00000 156 6D+2 0.00000 0.00195 0.00000 -0.01539 0.00000 157 6D-2 0.00259 0.00000 0.00242 0.00000 0.01136 158 7D 0 0.00000 -0.07859 0.00000 2.70464 0.00000 159 7D+1 -0.02491 0.00000 0.10201 0.00000 0.01992 160 7D-1 0.00000 -0.23092 0.00000 3.58831 0.00000 161 7D+2 0.00000 0.12108 0.00000 -0.16741 0.00000 162 7D-2 -0.00181 0.00000 -0.67077 0.00000 -0.05627 163 7 H 1S 0.00000 0.00914 0.00000 -0.10030 0.00000 164 2S 0.00000 -0.04773 0.00000 2.22404 0.00000 165 3S 0.00000 -0.19292 0.00000 0.31805 0.00000 166 4PX 0.01590 0.00000 -0.66155 0.00000 -0.07661 167 4PY 0.00000 -0.00334 0.00000 0.17302 0.00000 168 4PZ 0.00000 0.01083 0.00000 -0.10254 0.00000 169 8 Mg 1S 0.00000 -0.00043 0.00000 0.00531 0.00000 170 2S 0.00000 -0.00128 0.00000 0.01987 0.00000 171 3S 0.00000 0.00497 0.00000 -0.12132 0.00000 172 4S 0.00000 0.00311 0.00000 0.23273 0.00000 173 5S 0.00000 -0.16205 0.00000 -2.86432 0.00000 174 6S 0.00000 -0.18704 0.00000 -2.47184 0.00000 175 7S 0.00000 -0.01565 0.00000 -0.02319 0.00000 176 7PX 0.00000 0.00000 0.00461 0.00000 -0.08929 177 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 7PZ 0.00000 0.03044 0.00000 -0.20777 0.00000 179 8PX 0.00000 0.00000 -0.01173 0.00000 0.00092 180 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 8PZ 0.00000 -0.00250 0.00000 -0.01515 0.00000 182 9PX 0.00000 0.00000 -0.01050 0.00000 0.00330 183 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 9PZ 0.00000 -0.00296 0.00000 -0.07234 0.00000 185 10PX 0.00000 0.00000 0.09481 0.00000 0.01452 186 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 187 10PZ 0.00000 0.02483 0.00000 1.24787 0.00000 188 11PX 0.00000 0.00000 -0.06804 0.00000 -0.16430 189 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 11PZ 0.00000 -0.08407 0.00000 -0.05656 0.00000 191 12PX 0.00000 0.00000 0.13970 0.00000 0.09719 192 12PY 0.00000 0.00000 0.00000 0.00000 0.00000 193 12PZ 0.00000 -0.21551 0.00000 1.35950 0.00000 194 13D 0 0.00000 -0.01710 0.00000 -0.56025 0.00000 195 13D+1 0.00000 0.00000 -0.10199 0.00000 -0.13293 196 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 197 13D+2 0.00000 0.04655 0.00000 -0.07358 0.00000 198 13D-2 -0.02118 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00000 0.19186 0.00000 -0.81507 0.00000 200 14D+1 0.00000 0.00000 0.10084 0.00000 -0.46458 201 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000 202 14D+2 0.00000 -0.24014 0.00000 -0.01915 0.00000 203 14D-2 0.13094 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 -0.00006 0.00000 0.00090 0.00000 205 2S 0.00000 -0.00019 0.00000 0.00295 0.00000 206 3S 0.00000 0.00052 0.00000 -0.00846 0.00000 207 4S 0.00000 0.00065 0.00000 -0.00864 0.00000 208 5S 0.00000 -0.00135 0.00000 0.01577 0.00000 209 6S 0.00000 -0.00249 0.00000 0.05093 0.00000 210 7S 0.00000 0.02095 0.00000 -0.37405 0.00000 211 8S 0.00000 -0.10838 0.00000 1.15949 0.00000 212 9S 0.00000 0.15555 0.00000 -0.17339 0.00000 213 9PX 0.00000 0.00000 -0.08469 0.00000 0.24243 214 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 215 9PZ 0.00000 -0.05906 0.00000 0.25724 0.00000 216 10PX 0.00000 0.00000 0.00155 0.00000 -0.00874 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00007 0.00000 -0.00505 0.00000 219 11PX 0.00000 0.00000 0.01218 0.00000 -0.06887 220 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00057 0.00000 -0.04005 0.00000 222 12PX 0.00000 0.00000 -0.02947 0.00000 0.16794 223 12PY 0.00000 0.00000 0.00000 0.00000 0.00000 224 12PZ 0.00000 -0.00141 0.00000 0.09949 0.00000 225 13PX 0.00000 0.00000 -0.08387 0.00000 0.46560 226 13PY 0.00000 0.00000 0.00000 0.00000 0.00000 227 13PZ 0.00000 -0.00347 0.00000 0.24423 0.00000 228 14PX 0.00000 0.00000 0.23000 0.00000 -1.29006 229 14PY 0.00000 0.00000 0.00000 0.00000 0.00000 230 14PZ 0.00000 0.00934 0.00000 -0.68917 0.00000 231 15PX 0.00000 0.00000 -0.18425 0.00000 1.00787 232 15PY 0.00000 0.00000 0.00000 0.00000 0.00000 233 15PZ 0.00000 -0.00327 0.00000 0.55272 0.00000 234 16PX 0.00000 0.00000 0.05541 0.00000 -0.18267 235 16PY 0.00000 0.00000 0.00000 0.00000 0.00000 236 16PZ 0.00000 0.04251 0.00000 -0.93997 0.00000 237 17D 0 0.00000 -0.00019 0.00000 -0.00359 0.00000 238 17D+1 0.00000 0.00000 0.03785 0.00000 -0.31445 239 17D-1 0.00000 0.00000 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.35189 0.00000 0.02080 0.00000 241 17D-2 -0.35334 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 0.00010 0.00000 0.01552 0.00000 243 18D+1 0.00000 0.00000 0.06183 0.00000 -0.53714 244 18D-1 0.00000 0.00000 0.00000 0.00000 0.00000 245 18D+2 0.00000 0.59854 0.00000 0.03525 0.00000 246 18D-2 -0.60126 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 -0.00002 0.00000 -0.02872 0.00000 248 19D+1 0.00000 0.00000 -0.17480 0.00000 1.51750 249 19D-1 0.00000 0.00000 0.00000 0.00000 0.00000 250 19D+2 0.00000 -1.65485 0.00000 -0.09874 0.00000 251 19D-2 1.65839 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00000 0.00023 0.00000 0.14786 0.00000 253 20D+1 0.00000 0.00000 0.08327 0.00000 -0.85246 254 20D-1 0.00000 0.00000 0.00000 0.00000 0.00000 255 20D+2 0.00000 0.72088 0.00000 0.04739 0.00000 256 20D-2 -0.70469 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.00000 0.00914 0.00000 -0.10030 0.00000 258 2S 0.00000 -0.04773 0.00000 2.22404 0.00000 259 3S 0.00000 -0.19292 0.00000 0.31805 0.00000 260 4PX -0.01590 0.00000 -0.66155 0.00000 -0.07661 261 4PY 0.00000 0.00334 0.00000 -0.17302 0.00000 262 4PZ 0.00000 0.01083 0.00000 -0.10254 0.00000 263 11 H 1S 0.00000 0.00815 0.00000 0.07681 0.00000 264 2S 0.00000 0.15975 0.00000 -2.29850 0.00000 265 3S 0.00000 0.02423 0.00000 -0.52699 0.00000 266 4PX 0.00705 0.00000 -0.00034 0.00000 -0.02799 267 4PY 0.00000 -0.00873 0.00000 0.20028 0.00000 268 4PZ 0.00000 0.02018 0.00000 -0.17069 0.00000 269 12 H 1S 0.00000 0.01594 0.00000 -0.07774 0.00000 270 2S 0.00000 -0.10345 0.00000 2.18324 0.00000 271 3S 0.00000 0.01569 0.00000 0.62948 0.00000 272 4PX 0.00000 0.00000 0.79110 0.00000 0.10313 273 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4PZ 0.00000 -0.01434 0.00000 0.24965 0.00000 275 13 H 1S 0.00000 0.00815 0.00000 0.07681 0.00000 276 2S 0.00000 0.15975 0.00000 -2.29850 0.00000 277 3S 0.00000 0.02423 0.00000 -0.52699 0.00000 278 4PX -0.00705 0.00000 -0.00034 0.00000 -0.02799 279 4PY 0.00000 0.00873 0.00000 -0.20028 0.00000 280 4PZ 0.00000 0.02018 0.00000 -0.17069 0.00000 186 187 188 189 190 (B2)--V (A2)--V (A1)--V (B1)--V (B2)--V Eigenvalues -- 1.95349 1.98876 2.04252 2.04510 2.05669 1 1 C 1S 0.00140 0.00000 0.00040 0.00000 -0.00395 2 2S 0.00323 0.00000 0.00093 0.00000 -0.00794 3 2PX 0.00000 0.06127 0.00000 -0.01388 0.00000 4 2PY -0.01737 0.00000 -0.00034 0.00000 -0.00711 5 2PZ 0.03693 0.00000 -0.00113 0.00000 -0.03737 6 3S -0.04618 0.00000 0.01750 0.00000 0.05221 7 3PX 0.00000 -0.03581 0.00000 0.00977 0.00000 8 3PY 0.01947 0.00000 -0.00809 0.00000 -0.04481 9 3PZ -0.07290 0.00000 -0.00853 0.00000 0.26790 10 4S 0.47434 0.00000 -0.76429 0.00000 0.61978 11 4PX 0.00000 -0.21033 0.00000 0.04956 0.00000 12 4PY -0.18646 0.00000 -0.12281 0.00000 0.50100 13 4PZ 0.88310 0.00000 -0.25520 0.00000 -0.46057 14 5S 2.40302 0.00000 -0.52633 0.00000 0.41842 15 5PX 0.00000 0.04884 0.00000 0.07916 0.00000 16 5PY -0.42246 0.00000 0.02289 0.00000 -2.16859 17 5PZ 1.39552 0.00000 -0.24118 0.00000 3.65444 18 6D 0 0.01524 0.00000 -0.00109 0.00000 -0.02009 19 6D+1 0.00000 0.01156 0.00000 0.00604 0.00000 20 6D-1 0.01072 0.00000 0.00070 0.00000 -0.00775 21 6D+2 0.01060 0.00000 0.00365 0.00000 -0.01017 22 6D-2 0.00000 -0.03580 0.00000 0.00249 0.00000 23 7D 0 0.12400 0.00000 -0.11067 0.00000 0.00660 24 7D+1 0.00000 -0.38741 0.00000 0.02164 0.00000 25 7D-1 0.17775 0.00000 0.09599 0.00000 -0.40659 26 7D+2 0.09655 0.00000 0.02313 0.00000 -0.14417 27 7D-2 0.00000 -0.62737 0.00000 0.04801 0.00000 28 2 C 1S 0.00000 0.00000 -0.00166 0.00000 0.00000 29 2S 0.00000 0.00000 -0.00335 0.00000 0.00000 30 2PX 0.00000 0.00000 0.00000 -0.00614 0.00000 31 2PY 0.01997 0.00000 0.00000 0.00000 -0.01612 32 2PZ 0.00000 0.00000 0.00243 0.00000 0.00000 33 3S 0.00000 0.00000 0.03008 0.00000 0.00000 34 3PX 0.00000 0.00000 0.00000 -0.00049 0.00000 35 3PY -0.12508 0.00000 0.00000 0.00000 0.28079 36 3PZ 0.00000 0.00000 0.02685 0.00000 0.00000 37 4S 0.00000 0.00000 0.53181 0.00000 0.00000 38 4PX 0.00000 0.00000 0.00000 -0.04699 0.00000 39 4PY -0.57404 0.00000 0.00000 0.00000 0.71815 40 4PZ 0.00000 0.00000 0.21449 0.00000 0.00000 41 5S 0.00000 0.00000 -0.18065 0.00000 0.00000 42 5PX 0.00000 0.00000 0.00000 -0.03901 0.00000 43 5PY -1.07985 0.00000 0.00000 0.00000 -3.99693 44 5PZ 0.00000 0.00000 0.03475 0.00000 0.00000 45 6D 0 0.00000 0.00000 0.00178 0.00000 0.00000 46 6D+1 0.00000 0.00000 0.00000 -0.00018 0.00000 47 6D-1 0.02324 0.00000 0.00000 0.00000 -0.02141 48 6D+2 0.00000 0.00000 0.00374 0.00000 0.00000 49 6D-2 0.00000 0.05910 0.00000 0.00000 0.00000 50 7D 0 0.00000 0.00000 -0.07929 0.00000 0.00000 51 7D+1 0.00000 0.00000 0.00000 -0.07867 0.00000 52 7D-1 0.09171 0.00000 0.00000 0.00000 -0.22885 53 7D+2 0.00000 0.00000 -0.08924 0.00000 0.00000 54 7D-2 0.00000 -0.11193 0.00000 0.00000 0.00000 55 3 C 1S -0.00140 0.00000 0.00040 0.00000 0.00395 56 2S -0.00323 0.00000 0.00093 0.00000 0.00794 57 2PX 0.00000 -0.06127 0.00000 -0.01388 0.00000 58 2PY -0.01737 0.00000 0.00034 0.00000 -0.00711 59 2PZ -0.03693 0.00000 -0.00113 0.00000 0.03737 60 3S 0.04618 0.00000 0.01750 0.00000 -0.05221 61 3PX 0.00000 0.03581 0.00000 0.00977 0.00000 62 3PY 0.01947 0.00000 0.00809 0.00000 -0.04481 63 3PZ 0.07290 0.00000 -0.00853 0.00000 -0.26790 64 4S -0.47434 0.00000 -0.76429 0.00000 -0.61978 65 4PX 0.00000 0.21033 0.00000 0.04956 0.00000 66 4PY -0.18646 0.00000 0.12281 0.00000 0.50100 67 4PZ -0.88310 0.00000 -0.25520 0.00000 0.46057 68 5S -2.40302 0.00000 -0.52633 0.00000 -0.41842 69 5PX 0.00000 -0.04884 0.00000 0.07916 0.00000 70 5PY -0.42246 0.00000 -0.02289 0.00000 -2.16859 71 5PZ -1.39552 0.00000 -0.24118 0.00000 -3.65444 72 6D 0 -0.01524 0.00000 -0.00109 0.00000 0.02009 73 6D+1 0.00000 -0.01156 0.00000 0.00604 0.00000 74 6D-1 0.01072 0.00000 -0.00070 0.00000 -0.00775 75 6D+2 -0.01060 0.00000 0.00365 0.00000 0.01017 76 6D-2 0.00000 -0.03580 0.00000 -0.00249 0.00000 77 7D 0 -0.12400 0.00000 -0.11067 0.00000 -0.00660 78 7D+1 0.00000 0.38741 0.00000 0.02164 0.00000 79 7D-1 0.17775 0.00000 -0.09599 0.00000 -0.40659 80 7D+2 -0.09655 0.00000 0.02313 0.00000 0.14417 81 7D-2 0.00000 -0.62737 0.00000 -0.04801 0.00000 82 4 C 1S -0.00456 0.00000 -0.00060 0.00000 0.00875 83 2S -0.01270 0.00000 -0.00074 0.00000 0.02399 84 2PX 0.00000 0.05423 0.00000 -0.01093 0.00000 85 2PY -0.02587 0.00000 0.00806 0.00000 0.03201 86 2PZ 0.02096 0.00000 -0.00520 0.00000 -0.03836 87 3S 0.20613 0.00000 -0.00007 0.00000 -0.48342 88 3PX 0.00000 -0.03540 0.00000 -0.00071 0.00000 89 3PY -0.07927 0.00000 -0.00521 0.00000 0.12568 90 3PZ 0.01063 0.00000 -0.05547 0.00000 -0.10084 91 4S 0.77762 0.00000 0.25181 0.00000 1.90528 92 4PX 0.00000 -0.22028 0.00000 0.05748 0.00000 93 4PY 0.06204 0.00000 0.38363 0.00000 -0.67532 94 4PZ -0.89410 0.00000 -0.15249 0.00000 0.99671 95 5S 3.90821 0.00000 -0.69680 0.00000 -0.81633 96 5PX 0.00000 0.06003 0.00000 -0.12915 0.00000 97 5PY 0.41371 0.00000 0.34945 0.00000 2.53109 98 5PZ -1.66888 0.00000 0.13367 0.00000 -3.82610 99 6D 0 -0.01316 0.00000 0.00220 0.00000 0.02183 100 6D+1 0.00000 -0.01323 0.00000 -0.00719 0.00000 101 6D-1 -0.01203 0.00000 0.00125 0.00000 0.00416 102 6D+2 -0.00194 0.00000 0.00664 0.00000 -0.00195 103 6D-2 0.00000 0.03711 0.00000 -0.00814 0.00000 104 7D 0 -0.11677 0.00000 0.10319 0.00000 0.48100 105 7D+1 0.00000 0.37581 0.00000 0.01615 0.00000 106 7D-1 0.05904 0.00000 -0.06207 0.00000 -0.29764 107 7D+2 0.04693 0.00000 0.01885 0.00000 -0.05644 108 7D-2 0.00000 0.63110 0.00000 -0.01594 0.00000 109 5 C 1S 0.00000 0.00000 -0.00517 0.00000 0.00000 110 2S 0.00000 0.00000 -0.00920 0.00000 0.00000 111 2PX 0.00000 0.00000 0.00000 0.02805 0.00000 112 2PY 0.03501 0.00000 0.00000 0.00000 -0.02398 113 2PZ 0.00000 0.00000 0.03940 0.00000 0.00000 114 3S 0.00000 0.00000 0.08002 0.00000 0.00000 115 3PX 0.00000 0.00000 0.00000 0.00241 0.00000 116 3PY 0.08515 0.00000 0.00000 0.00000 -0.19437 117 3PZ 0.00000 0.00000 0.05839 0.00000 0.00000 118 4S 0.00000 0.00000 0.19758 0.00000 0.00000 119 4PX 0.00000 0.00000 0.00000 -0.25397 0.00000 120 4PY -0.18806 0.00000 0.00000 0.00000 -1.62233 121 4PZ 0.00000 0.00000 -1.09360 0.00000 0.00000 122 5S 0.00000 0.00000 -0.37796 0.00000 0.00000 123 5PX 0.00000 0.00000 0.00000 -0.08199 0.00000 124 5PY -0.60404 0.00000 0.00000 0.00000 4.84762 125 5PZ 0.00000 0.00000 -2.37775 0.00000 0.00000 126 6D 0 0.00000 0.00000 -0.01779 0.00000 0.00000 127 6D+1 0.00000 0.00000 0.00000 -0.00922 0.00000 128 6D-1 -0.02202 0.00000 0.00000 0.00000 0.01209 129 6D+2 0.00000 0.00000 0.00625 0.00000 0.00000 130 6D-2 0.00000 -0.05561 0.00000 0.00000 0.00000 131 7D 0 0.00000 0.00000 -0.00008 0.00000 0.00000 132 7D+1 0.00000 0.00000 0.00000 -0.01961 0.00000 133 7D-1 0.21718 0.00000 0.00000 0.00000 -0.39669 134 7D+2 0.00000 0.00000 0.03309 0.00000 0.00000 135 7D-2 0.00000 0.11286 0.00000 0.00000 0.00000 136 6 C 1S 0.00456 0.00000 -0.00060 0.00000 -0.00875 137 2S 0.01270 0.00000 -0.00074 0.00000 -0.02399 138 2PX 0.00000 -0.05423 0.00000 -0.01093 0.00000 139 2PY -0.02587 0.00000 -0.00806 0.00000 0.03201 140 2PZ -0.02096 0.00000 -0.00520 0.00000 0.03836 141 3S -0.20613 0.00000 -0.00007 0.00000 0.48342 142 3PX 0.00000 0.03540 0.00000 -0.00071 0.00000 143 3PY -0.07927 0.00000 0.00521 0.00000 0.12568 144 3PZ -0.01063 0.00000 -0.05547 0.00000 0.10084 145 4S -0.77762 0.00000 0.25181 0.00000 -1.90528 146 4PX 0.00000 0.22028 0.00000 0.05748 0.00000 147 4PY 0.06204 0.00000 -0.38363 0.00000 -0.67532 148 4PZ 0.89410 0.00000 -0.15249 0.00000 -0.99671 149 5S -3.90821 0.00000 -0.69680 0.00000 0.81633 150 5PX 0.00000 -0.06003 0.00000 -0.12915 0.00000 151 5PY 0.41371 0.00000 -0.34945 0.00000 2.53109 152 5PZ 1.66888 0.00000 0.13367 0.00000 3.82610 153 6D 0 0.01316 0.00000 0.00220 0.00000 -0.02183 154 6D+1 0.00000 0.01323 0.00000 -0.00719 0.00000 155 6D-1 -0.01203 0.00000 -0.00125 0.00000 0.00416 156 6D+2 0.00194 0.00000 0.00664 0.00000 0.00195 157 6D-2 0.00000 0.03711 0.00000 0.00814 0.00000 158 7D 0 0.11677 0.00000 0.10319 0.00000 -0.48100 159 7D+1 0.00000 -0.37581 0.00000 0.01615 0.00000 160 7D-1 0.05904 0.00000 0.06207 0.00000 -0.29764 161 7D+2 -0.04693 0.00000 0.01885 0.00000 0.05644 162 7D-2 0.00000 0.63110 0.00000 0.01594 0.00000 163 7 H 1S -0.02014 0.00000 -0.01597 0.00000 0.02331 164 2S -0.07758 0.00000 0.02706 0.00000 -0.04266 165 3S 0.10293 0.00000 -0.22165 0.00000 0.21229 166 4PX 0.00000 0.64667 0.00000 -0.00738 0.00000 167 4PY -0.07089 0.00000 0.02007 0.00000 0.11176 168 4PZ -0.15790 0.00000 0.00625 0.00000 0.22605 169 8 Mg 1S 0.00000 0.00000 0.00100 0.00000 0.00000 170 2S 0.00000 0.00000 0.00541 0.00000 0.00000 171 3S 0.00000 0.00000 -0.04727 0.00000 0.00000 172 4S 0.00000 0.00000 0.13861 0.00000 0.00000 173 5S 0.00000 0.00000 -0.52523 0.00000 0.00000 174 6S 0.00000 0.00000 0.34487 0.00000 0.00000 175 7S 0.00000 0.00000 -0.38346 0.00000 0.00000 176 7PX 0.00000 0.00000 0.00000 0.13509 0.00000 177 7PY -0.18543 0.00000 0.00000 0.00000 -0.14916 178 7PZ 0.00000 0.00000 -0.19191 0.00000 0.00000 179 8PX 0.00000 0.00000 0.00000 -0.00698 0.00000 180 8PY 0.01359 0.00000 0.00000 0.00000 -0.00918 181 8PZ 0.00000 0.00000 0.00363 0.00000 0.00000 182 9PX 0.00000 0.00000 0.00000 -0.00001 0.00000 183 9PY 0.01537 0.00000 0.00000 0.00000 -0.01642 184 9PZ 0.00000 0.00000 0.05103 0.00000 0.00000 185 10PX 0.00000 0.00000 0.00000 0.02484 0.00000 186 10PY -0.16126 0.00000 0.00000 0.00000 0.20015 187 10PZ 0.00000 0.00000 -0.53531 0.00000 0.00000 188 11PX 0.00000 0.00000 0.00000 -0.21664 0.00000 189 11PY 0.20365 0.00000 0.00000 0.00000 0.07853 190 11PZ 0.00000 0.00000 -2.31349 0.00000 0.00000 191 12PX 0.00000 0.00000 0.00000 0.16795 0.00000 192 12PY 0.53838 0.00000 0.00000 0.00000 -0.24288 193 12PZ 0.00000 0.00000 -1.66332 0.00000 0.00000 194 13D 0 0.00000 0.00000 -0.16831 0.00000 0.00000 195 13D+1 0.00000 0.00000 0.00000 0.01840 0.00000 196 13D-1 -0.01582 0.00000 0.00000 0.00000 -0.21362 197 13D+2 0.00000 0.00000 -0.00602 0.00000 0.00000 198 13D-2 0.00000 -0.00318 0.00000 0.00000 0.00000 199 14D 0 0.00000 0.00000 -0.54231 0.00000 0.00000 200 14D+1 0.00000 0.00000 0.00000 -0.50933 0.00000 201 14D-1 -0.83387 0.00000 0.00000 0.00000 0.48924 202 14D+2 0.00000 0.00000 0.00577 0.00000 0.00000 203 14D-2 0.00000 -0.02334 0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 0.00000 0.00314 0.00000 0.00000 205 2S 0.00000 0.00000 0.01015 0.00000 0.00000 206 3S 0.00000 0.00000 -0.02725 0.00000 0.00000 207 4S 0.00000 0.00000 -0.03859 0.00000 0.00000 208 5S 0.00000 0.00000 0.08499 0.00000 0.00000 209 6S 0.00000 0.00000 0.11569 0.00000 0.00000 210 7S 0.00000 0.00000 -0.96429 0.00000 0.00000 211 8S 0.00000 0.00000 2.16046 0.00000 0.00000 212 9S 0.00000 0.00000 2.69982 0.00000 0.00000 213 9PX 0.00000 0.00000 0.00000 -0.48176 0.00000 214 9PY 0.21494 0.00000 0.00000 0.00000 0.47854 215 9PZ 0.00000 0.00000 -0.55552 0.00000 0.00000 216 10PX 0.00000 0.00000 0.00000 0.01861 0.00000 217 10PY -0.01037 0.00000 0.00000 0.00000 -0.01678 218 10PZ 0.00000 0.00000 0.00073 0.00000 0.00000 219 11PX 0.00000 0.00000 0.00000 0.14671 0.00000 220 11PY -0.08172 0.00000 0.00000 0.00000 -0.13225 221 11PZ 0.00000 0.00000 0.00575 0.00000 0.00000 222 12PX 0.00000 0.00000 0.00000 -0.35891 0.00000 223 12PY 0.19949 0.00000 0.00000 0.00000 0.32384 224 12PZ 0.00000 0.00000 -0.01409 0.00000 0.00000 225 13PX 0.00000 0.00000 0.00000 -1.01360 0.00000 226 13PY 0.55281 0.00000 0.00000 0.00000 0.91341 227 13PZ 0.00000 0.00000 -0.03770 0.00000 0.00000 228 14PX 0.00000 0.00000 0.00000 2.86743 0.00000 229 14PY -1.53755 0.00000 0.00000 0.00000 -2.58936 230 14PZ 0.00000 0.00000 0.09207 0.00000 0.00000 231 15PX 0.00000 0.00000 0.00000 -2.53640 0.00000 232 15PY 1.22125 0.00000 0.00000 0.00000 2.29759 233 15PZ 0.00000 0.00000 0.13664 0.00000 0.00000 234 16PX 0.00000 0.00000 0.00000 1.59642 0.00000 235 16PY -0.21653 0.00000 0.00000 0.00000 -1.45008 236 16PZ 0.00000 0.00000 -1.94120 0.00000 0.00000 237 17D 0 0.00000 0.00000 0.34153 0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 -0.15020 0.00000 239 17D-1 -0.28341 0.00000 0.00000 0.00000 0.11548 240 17D+2 0.00000 0.00000 0.00074 0.00000 0.00000 241 17D-2 0.00000 0.00703 0.00000 0.00000 0.00000 242 18D 0 0.00000 0.00000 0.61437 0.00000 0.00000 243 18D+1 0.00000 0.00000 0.00000 -0.25708 0.00000 244 18D-1 -0.48308 0.00000 0.00000 0.00000 0.19397 245 18D+2 0.00000 0.00000 0.00117 0.00000 0.00000 246 18D-2 0.00000 0.01163 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00000 -1.75667 0.00000 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.74210 0.00000 249 19D-1 1.37176 0.00000 0.00000 0.00000 -0.56449 250 19D+2 0.00000 0.00000 -0.00348 0.00000 0.00000 251 19D-2 0.00000 -0.03352 0.00000 0.00000 0.00000 252 20D 0 0.00000 0.00000 1.42230 0.00000 0.00000 253 20D+1 0.00000 0.00000 0.00000 -0.50553 0.00000 254 20D-1 -0.81291 0.00000 0.00000 0.00000 0.38737 255 20D+2 0.00000 0.00000 0.00192 0.00000 0.00000 256 20D-2 0.00000 0.01898 0.00000 0.00000 0.00000 257 10 H 1S 0.02014 0.00000 -0.01597 0.00000 -0.02331 258 2S 0.07758 0.00000 0.02706 0.00000 0.04266 259 3S -0.10293 0.00000 -0.22165 0.00000 -0.21229 260 4PX 0.00000 -0.64667 0.00000 -0.00738 0.00000 261 4PY -0.07089 0.00000 -0.02007 0.00000 0.11176 262 4PZ 0.15790 0.00000 0.00625 0.00000 -0.22605 263 11 H 1S 0.00330 0.00000 -0.00324 0.00000 0.03506 264 2S 0.02333 0.00000 -0.03484 0.00000 -0.21211 265 3S -0.12354 0.00000 0.04108 0.00000 0.09738 266 4PX 0.00000 0.65751 0.00000 0.02768 0.00000 267 4PY -0.08421 0.00000 0.00119 0.00000 0.14569 268 4PZ -0.12084 0.00000 0.00389 0.00000 0.18875 269 12 H 1S 0.00000 0.00000 -0.00097 0.00000 0.00000 270 2S 0.00000 0.00000 0.05979 0.00000 0.00000 271 3S 0.00000 0.00000 0.02248 0.00000 0.00000 272 4PX 0.00000 0.00000 0.00000 -0.06040 0.00000 273 4PY 0.18282 0.00000 0.00000 0.00000 -0.28982 274 4PZ 0.00000 0.00000 0.01460 0.00000 0.00000 275 13 H 1S -0.00330 0.00000 -0.00324 0.00000 -0.03506 276 2S -0.02333 0.00000 -0.03484 0.00000 0.21211 277 3S 0.12354 0.00000 0.04108 0.00000 -0.09738 278 4PX 0.00000 -0.65751 0.00000 0.02768 0.00000 279 4PY -0.08421 0.00000 -0.00119 0.00000 0.14569 280 4PZ 0.12084 0.00000 0.00389 0.00000 -0.18875 191 192 193 194 195 (B2)--V (B1)--V (A1)--V (A1)--V (A1)--V Eigenvalues -- 2.07620 2.15494 2.16679 2.21332 2.32475 1 1 C 1S -0.00532 0.00000 -0.00065 -0.01588 -0.00574 2 2S -0.01116 0.00000 -0.00077 -0.03858 -0.01720 3 2PX 0.00000 -0.06840 0.00000 0.00000 0.00000 4 2PY 0.00391 0.00000 -0.04454 -0.21470 0.03528 5 2PZ -0.01971 0.00000 -0.02708 -0.13933 -0.00324 6 3S 0.02689 0.00000 -0.08874 0.29112 0.39666 7 3PX 0.00000 -0.02382 0.00000 0.00000 0.00000 8 3PY -0.11139 0.00000 0.16635 -0.12153 -0.43222 9 3PZ 0.53215 0.00000 0.02432 -0.13834 0.65598 10 4S 2.92230 0.00000 5.87424 0.55355 -2.71273 11 4PX 0.00000 -0.91935 0.00000 0.00000 0.00000 12 4PY 0.74639 0.00000 2.06697 -0.41298 -0.76439 13 4PZ 0.90226 0.00000 1.12087 -0.44736 0.02075 14 5S -1.37837 0.00000 6.84917 2.11358 0.85199 15 5PX 0.00000 0.74525 0.00000 0.00000 0.00000 16 5PY -0.44941 0.00000 0.68780 -0.56432 -0.10252 17 5PZ 0.11789 0.00000 1.28490 0.60093 0.31811 18 6D 0 -0.02048 0.00000 0.01061 0.02156 -0.04351 19 6D+1 0.00000 -0.03566 0.00000 0.00000 0.00000 20 6D-1 -0.01004 0.00000 0.02409 -0.05070 -0.02536 21 6D+2 -0.01738 0.00000 -0.00503 0.06525 0.00796 22 6D-2 0.00000 -0.01375 0.00000 0.00000 0.00000 23 7D 0 0.13548 0.00000 0.61939 -0.07341 -1.08925 24 7D+1 0.00000 -0.48016 0.00000 0.00000 0.00000 25 7D-1 -0.60582 0.00000 -0.80690 0.17194 0.21021 26 7D+2 -0.23800 0.00000 0.01259 -0.17014 -0.28022 27 7D-2 0.00000 -0.98883 0.00000 0.00000 0.00000 28 2 C 1S 0.00000 0.00000 0.00236 -0.01770 0.00958 29 2S 0.00000 0.00000 0.00582 -0.04251 0.03573 30 2PX 0.00000 0.10300 0.00000 0.00000 0.00000 31 2PY -0.00700 0.00000 0.00000 0.00000 0.00000 32 2PZ 0.00000 0.00000 -0.00506 -0.27337 -0.34262 33 3S 0.00000 0.00000 0.03871 0.34492 -0.98561 34 3PX 0.00000 0.03017 0.00000 0.00000 0.00000 35 3PY 0.46252 0.00000 0.00000 0.00000 0.00000 36 3PZ 0.00000 0.00000 -0.10714 -0.16324 0.21491 37 4S 0.00000 0.00000 -6.25590 0.10523 4.96838 38 4PX 0.00000 1.02498 0.00000 0.00000 0.00000 39 4PY 0.33835 0.00000 0.00000 0.00000 0.00000 40 4PZ 0.00000 0.00000 -2.39890 -0.55594 1.00649 41 5S 0.00000 0.00000 -4.10080 1.78597 -0.37223 42 5PX 0.00000 -0.75776 0.00000 0.00000 0.00000 43 5PY -0.60078 0.00000 0.00000 0.00000 0.00000 44 5PZ 0.00000 0.00000 -0.95815 -0.13245 -0.59959 45 6D 0 0.00000 0.00000 -0.01402 -0.09220 0.01560 46 6D+1 0.00000 0.02501 0.00000 0.00000 0.00000 47 6D-1 -0.02967 0.00000 0.00000 0.00000 0.00000 48 6D+2 0.00000 0.00000 0.01175 0.02102 -0.00696 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00000 0.00000 0.65039 0.42089 -0.71743 51 7D+1 0.00000 1.21864 0.00000 0.00000 0.00000 52 7D-1 -0.46347 0.00000 0.00000 0.00000 0.00000 53 7D+2 0.00000 0.00000 0.74158 0.21752 -1.27501 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.00532 0.00000 -0.00065 -0.01588 -0.00574 56 2S 0.01116 0.00000 -0.00077 -0.03858 -0.01720 57 2PX 0.00000 -0.06840 0.00000 0.00000 0.00000 58 2PY 0.00391 0.00000 0.04454 0.21470 -0.03528 59 2PZ 0.01971 0.00000 -0.02708 -0.13933 -0.00324 60 3S -0.02689 0.00000 -0.08874 0.29112 0.39666 61 3PX 0.00000 -0.02382 0.00000 0.00000 0.00000 62 3PY -0.11139 0.00000 -0.16635 0.12153 0.43222 63 3PZ -0.53215 0.00000 0.02432 -0.13834 0.65598 64 4S -2.92230 0.00000 5.87424 0.55355 -2.71273 65 4PX 0.00000 -0.91935 0.00000 0.00000 0.00000 66 4PY 0.74639 0.00000 -2.06697 0.41298 0.76439 67 4PZ -0.90226 0.00000 1.12087 -0.44736 0.02075 68 5S 1.37837 0.00000 6.84917 2.11358 0.85199 69 5PX 0.00000 0.74525 0.00000 0.00000 0.00000 70 5PY -0.44941 0.00000 -0.68780 0.56432 0.10252 71 5PZ -0.11789 0.00000 1.28490 0.60093 0.31811 72 6D 0 0.02048 0.00000 0.01061 0.02156 -0.04351 73 6D+1 0.00000 -0.03566 0.00000 0.00000 0.00000 74 6D-1 -0.01004 0.00000 -0.02409 0.05070 0.02536 75 6D+2 0.01738 0.00000 -0.00503 0.06525 0.00796 76 6D-2 0.00000 0.01375 0.00000 0.00000 0.00000 77 7D 0 -0.13548 0.00000 0.61939 -0.07341 -1.08925 78 7D+1 0.00000 -0.48016 0.00000 0.00000 0.00000 79 7D-1 -0.60582 0.00000 0.80690 -0.17194 -0.21021 80 7D+2 0.23800 0.00000 0.01259 -0.17014 -0.28022 81 7D-2 0.00000 0.98883 0.00000 0.00000 0.00000 82 4 C 1S 0.01163 0.00000 0.01115 -0.01763 -0.00344 83 2S 0.03428 0.00000 0.02436 -0.04337 -0.01627 84 2PX 0.00000 0.10222 0.00000 0.00000 0.00000 85 2PY 0.05844 0.00000 -0.06242 0.12025 -0.13518 86 2PZ -0.03415 0.00000 -0.05356 0.05067 -0.12005 87 3S -0.78511 0.00000 -0.17001 0.32834 0.51757 88 3PX 0.00000 -0.00687 0.00000 0.00000 0.00000 89 3PY 0.14738 0.00000 -0.02547 0.12419 0.39890 90 3PZ -0.15758 0.00000 0.13665 0.09158 -0.56060 91 4S 5.44575 0.00000 -5.10816 1.52922 -1.79849 92 4PX 0.00000 0.82910 0.00000 0.00000 0.00000 93 4PY -1.12932 0.00000 1.48353 -0.14044 0.45768 94 4PZ -0.31513 0.00000 1.00087 0.01315 -0.60800 95 5S -1.39377 0.00000 -5.57696 -7.67320 1.05423 96 5PX 0.00000 -0.74761 0.00000 0.00000 0.00000 97 5PY 0.63078 0.00000 0.17674 1.17543 -0.86060 98 5PZ -0.36641 0.00000 0.71848 1.23456 0.39032 99 6D 0 0.02724 0.00000 0.01406 0.02057 -0.04406 100 6D+1 0.00000 0.02396 0.00000 0.00000 0.00000 101 6D-1 0.00919 0.00000 0.00040 -0.06445 -0.03001 102 6D+2 0.00271 0.00000 -0.01397 0.05382 -0.02194 103 6D-2 0.00000 -0.02248 0.00000 0.00000 0.00000 104 7D 0 1.01896 0.00000 -0.46281 -0.08287 -0.94297 105 7D+1 0.00000 -0.37430 0.00000 0.00000 0.00000 106 7D-1 -0.36977 0.00000 0.73354 0.48944 0.04006 107 7D+2 -0.00189 0.00000 -0.02335 -0.21735 -0.08921 108 7D-2 0.00000 -0.67566 0.00000 0.00000 0.00000 109 5 C 1S 0.00000 0.00000 -0.01465 -0.01390 0.00871 110 2S 0.00000 0.00000 -0.03748 -0.03803 0.02455 111 2PX 0.00000 -0.17447 0.00000 0.00000 0.00000 112 2PY -0.00553 0.00000 0.00000 0.00000 0.00000 113 2PZ 0.00000 0.00000 -0.07474 -0.00068 0.06410 114 3S 0.00000 0.00000 0.52350 0.67489 -0.71303 115 3PX 0.00000 0.04021 0.00000 0.00000 0.00000 116 3PY -0.18567 0.00000 0.00000 0.00000 0.00000 117 3PZ 0.00000 0.00000 0.11201 -0.06054 0.03648 118 4S 0.00000 0.00000 2.91300 -1.88539 4.24759 119 4PX 0.00000 -0.94668 0.00000 0.00000 0.00000 120 4PY -3.13735 0.00000 0.00000 0.00000 0.00000 121 4PZ 0.00000 0.00000 -2.76347 0.94930 -0.46983 122 5S 0.00000 0.00000 1.38609 7.85095 -4.67401 123 5PX 0.00000 0.75984 0.00000 0.00000 0.00000 124 5PY -0.00733 0.00000 0.00000 0.00000 0.00000 125 5PZ 0.00000 0.00000 1.49694 -5.18141 0.15417 126 6D 0 0.00000 0.00000 -0.03367 -0.07159 0.02839 127 6D+1 0.00000 0.00527 0.00000 0.00000 0.00000 128 6D-1 0.02599 0.00000 0.00000 0.00000 0.00000 129 6D+2 0.00000 0.00000 -0.01163 -0.00611 -0.04714 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00000 0.00000 -0.88763 -0.40294 -0.60763 132 7D+1 0.00000 0.52250 0.00000 0.00000 0.00000 133 7D-1 -0.55843 0.00000 0.00000 0.00000 0.00000 134 7D+2 0.00000 0.00000 -0.53455 0.17281 -1.10016 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S -0.01163 0.00000 0.01115 -0.01763 -0.00344 137 2S -0.03428 0.00000 0.02436 -0.04337 -0.01627 138 2PX 0.00000 0.10222 0.00000 0.00000 0.00000 139 2PY 0.05844 0.00000 0.06242 -0.12025 0.13518 140 2PZ 0.03415 0.00000 -0.05356 0.05067 -0.12005 141 3S 0.78511 0.00000 -0.17001 0.32834 0.51757 142 3PX 0.00000 -0.00687 0.00000 0.00000 0.00000 143 3PY 0.14738 0.00000 0.02547 -0.12419 -0.39890 144 3PZ 0.15758 0.00000 0.13665 0.09158 -0.56060 145 4S -5.44575 0.00000 -5.10816 1.52922 -1.79849 146 4PX 0.00000 0.82910 0.00000 0.00000 0.00000 147 4PY -1.12932 0.00000 -1.48353 0.14044 -0.45768 148 4PZ 0.31513 0.00000 1.00087 0.01315 -0.60800 149 5S 1.39377 0.00000 -5.57696 -7.67320 1.05423 150 5PX 0.00000 -0.74761 0.00000 0.00000 0.00000 151 5PY 0.63078 0.00000 -0.17674 -1.17543 0.86060 152 5PZ 0.36641 0.00000 0.71848 1.23456 0.39032 153 6D 0 -0.02724 0.00000 0.01406 0.02057 -0.04406 154 6D+1 0.00000 0.02396 0.00000 0.00000 0.00000 155 6D-1 0.00919 0.00000 -0.00040 0.06445 0.03001 156 6D+2 -0.00271 0.00000 -0.01397 0.05382 -0.02194 157 6D-2 0.00000 0.02248 0.00000 0.00000 0.00000 158 7D 0 -1.01896 0.00000 -0.46281 -0.08287 -0.94297 159 7D+1 0.00000 -0.37430 0.00000 0.00000 0.00000 160 7D-1 -0.36977 0.00000 -0.73354 -0.48944 -0.04006 161 7D+2 0.00189 0.00000 -0.02335 -0.21735 -0.08921 162 7D-2 0.00000 0.67566 0.00000 0.00000 0.00000 163 7 H 1S 0.05553 0.00000 0.14108 -0.24374 0.25055 164 2S -0.18205 0.00000 -0.64188 -0.41399 -0.41691 165 3S 0.23607 0.00000 0.38181 -0.34044 0.63314 166 4PX 0.00000 0.42384 0.00000 0.00000 0.00000 167 4PY 0.20753 0.00000 0.05911 -0.45488 0.28579 168 4PZ 0.40990 0.00000 -0.11974 0.12851 0.47111 169 8 Mg 1S 0.00000 0.00000 0.01562 0.00323 -0.00155 170 2S 0.00000 0.00000 0.04915 0.00998 -0.00519 171 3S 0.00000 0.00000 -0.21813 -0.04240 0.02693 172 4S 0.00000 0.00000 0.00431 -0.01362 -0.02477 173 5S 0.00000 0.00000 1.03012 0.40516 -0.01265 174 6S 0.00000 0.00000 -0.40424 2.43136 0.15198 175 7S 0.00000 0.00000 -0.07658 -0.24645 0.04412 176 7PX 0.00000 0.03429 0.00000 0.00000 0.00000 177 7PY -0.01015 0.00000 0.00000 0.00000 0.00000 178 7PZ 0.00000 0.00000 -0.14808 0.27447 -0.02055 179 8PX 0.00000 0.00858 0.00000 0.00000 0.00000 180 8PY -0.01526 0.00000 0.00000 0.00000 0.00000 181 8PZ 0.00000 0.00000 -0.02265 0.01000 -0.01122 182 9PX 0.00000 0.00599 0.00000 0.00000 0.00000 183 9PY -0.01705 0.00000 0.00000 0.00000 0.00000 184 9PZ 0.00000 0.00000 -0.00343 0.01394 -0.00194 185 10PX 0.00000 -0.06102 0.00000 0.00000 0.00000 186 10PY 0.21285 0.00000 0.00000 0.00000 0.00000 187 10PZ 0.00000 0.00000 -0.36401 -0.16290 0.03921 188 11PX 0.00000 0.06778 0.00000 0.00000 0.00000 189 11PY 0.11139 0.00000 0.00000 0.00000 0.00000 190 11PZ 0.00000 0.00000 -0.06242 0.13038 0.10704 191 12PX 0.00000 -0.05818 0.00000 0.00000 0.00000 192 12PY 0.38276 0.00000 0.00000 0.00000 0.00000 193 12PZ 0.00000 0.00000 -0.95610 -0.91666 -0.69748 194 13D 0 0.00000 0.00000 0.66403 0.19789 0.03775 195 13D+1 0.00000 0.09282 0.00000 0.00000 0.00000 196 13D-1 -0.26628 0.00000 0.00000 0.00000 0.00000 197 13D+2 0.00000 0.00000 0.02695 -0.01042 0.02333 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00000 0.00000 1.16794 -0.10921 -0.11398 200 14D+1 0.00000 -0.12937 0.00000 0.00000 0.00000 201 14D-1 -0.90922 0.00000 0.00000 0.00000 0.00000 202 14D+2 0.00000 0.00000 -0.01386 -0.00953 -0.01602 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 0.00000 -0.00090 -0.00007 0.00007 205 2S 0.00000 0.00000 -0.00297 -0.00024 0.00020 206 3S 0.00000 0.00000 0.00861 0.00081 -0.00043 207 4S 0.00000 0.00000 0.00836 0.00006 -0.00130 208 5S 0.00000 0.00000 -0.01441 0.00095 0.00356 209 6S 0.00000 0.00000 -0.05856 -0.00902 -0.00155 210 7S 0.00000 0.00000 0.47390 0.05886 0.00043 211 8S 0.00000 0.00000 -1.48636 -0.09596 0.03295 212 9S 0.00000 0.00000 1.06765 0.14385 0.57044 213 9PX 0.00000 -0.02863 0.00000 0.00000 0.00000 214 9PY -0.21630 0.00000 0.00000 0.00000 0.00000 215 9PZ 0.00000 0.00000 0.06152 -0.09689 -0.14581 216 10PX 0.00000 0.00110 0.00000 0.00000 0.00000 217 10PY 0.00596 0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 -0.01870 -0.00057 -0.00059 219 11PX 0.00000 0.00873 0.00000 0.00000 0.00000 220 11PY 0.04694 0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00000 -0.14735 -0.00442 -0.00466 222 12PX 0.00000 -0.02160 0.00000 0.00000 0.00000 223 12PY -0.11439 0.00000 0.00000 0.00000 0.00000 224 12PZ 0.00000 0.00000 0.36151 0.01045 0.01143 225 13PX 0.00000 -0.05927 0.00000 0.00000 0.00000 226 13PY -0.33406 0.00000 0.00000 0.00000 0.00000 227 13PZ 0.00000 0.00000 1.04836 0.03661 0.03481 228 14PX 0.00000 0.17156 0.00000 0.00000 0.00000 229 14PY 0.94942 0.00000 0.00000 0.00000 0.00000 230 14PZ 0.00000 0.00000 -3.01855 -0.10101 -0.10184 231 15PX 0.00000 -0.15658 0.00000 0.00000 0.00000 232 15PY -0.90968 0.00000 0.00000 0.00000 0.00000 233 15PZ 0.00000 0.00000 2.77568 0.07047 0.09703 234 16PX 0.00000 0.12337 0.00000 0.00000 0.00000 235 16PY 0.92317 0.00000 0.00000 0.00000 0.00000 236 16PZ 0.00000 0.00000 -0.77069 0.11187 -0.05583 237 17D 0 0.00000 0.00000 0.02262 -0.00031 0.00098 238 17D+1 0.00000 -0.00267 0.00000 0.00000 0.00000 239 17D-1 -0.16747 0.00000 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00000 -0.00132 0.00403 0.00106 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 0.00000 -0.00175 -0.01060 -0.00200 243 18D+1 0.00000 -0.00296 0.00000 0.00000 0.00000 244 18D-1 -0.28973 0.00000 0.00000 0.00000 0.00000 245 18D+2 0.00000 0.00000 -0.00197 0.00598 0.00147 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00000 -0.02409 0.02351 0.00289 248 19D+1 0.00000 0.01029 0.00000 0.00000 0.00000 249 19D-1 0.84149 0.00000 0.00000 0.00000 0.00000 250 19D+2 0.00000 0.00000 0.00610 -0.01883 -0.00489 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00000 0.00000 -0.22344 -0.06621 -0.01949 253 20D+1 0.00000 -0.01047 0.00000 0.00000 0.00000 254 20D-1 -0.62978 0.00000 0.00000 0.00000 0.00000 255 20D+2 0.00000 0.00000 -0.00355 0.01351 0.00429 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S -0.05553 0.00000 0.14108 -0.24374 0.25055 258 2S 0.18205 0.00000 -0.64188 -0.41399 -0.41691 259 3S -0.23607 0.00000 0.38181 -0.34044 0.63314 260 4PX 0.00000 0.42384 0.00000 0.00000 0.00000 261 4PY 0.20753 0.00000 -0.05911 0.45488 -0.28579 262 4PZ -0.40990 0.00000 -0.11974 0.12851 0.47111 263 11 H 1S 0.02227 0.00000 -0.04288 -0.42230 0.00251 264 2S -0.27585 0.00000 0.67163 -0.01482 -0.30625 265 3S -0.09514 0.00000 0.01573 -0.93687 0.11071 266 4PX 0.00000 -0.68186 0.00000 0.00000 0.00000 267 4PY 0.26822 0.00000 -0.04531 0.42225 -0.21852 268 4PZ 0.36317 0.00000 0.08500 -0.22102 -0.59519 269 12 H 1S 0.00000 0.00000 -0.02528 -0.46630 -0.47330 270 2S 0.00000 0.00000 -0.46916 -0.02613 1.06019 271 3S 0.00000 0.00000 -0.16432 -0.94477 -0.91559 272 4PX 0.00000 0.74397 0.00000 0.00000 0.00000 273 4PY -0.49919 0.00000 0.00000 0.00000 0.00000 274 4PZ 0.00000 0.00000 -0.06857 -0.52048 0.04108 275 13 H 1S -0.02227 0.00000 -0.04288 -0.42230 0.00251 276 2S 0.27585 0.00000 0.67163 -0.01482 -0.30625 277 3S 0.09514 0.00000 0.01573 -0.93687 0.11071 278 4PX 0.00000 -0.68186 0.00000 0.00000 0.00000 279 4PY 0.26822 0.00000 0.04531 -0.42225 0.21852 280 4PZ -0.36317 0.00000 0.08500 -0.22102 -0.59519 196 197 198 199 200 (B2)--V (B2)--V (A1)--V (B1)--V (A1)--V Eigenvalues -- 2.33836 2.45404 2.51942 2.64230 2.66357 1 1 C 1S -0.00398 0.02199 0.00721 0.00000 0.00992 2 2S -0.02099 0.05912 0.03594 0.00000 0.01296 3 2PX 0.00000 0.00000 0.00000 -0.54221 0.00000 4 2PY 0.35560 -0.01949 -0.07765 0.00000 0.00164 5 2PZ 0.15994 0.00698 -0.09584 0.00000 0.01236 6 3S 0.69344 -1.10282 -0.82201 0.00000 -0.39032 7 3PX 0.00000 0.00000 0.00000 0.59881 0.00000 8 3PY 0.02298 -0.02980 0.37844 0.00000 -0.39965 9 3PZ -0.14518 0.06944 -0.15597 0.00000 -0.36732 10 4S -2.04008 3.15969 4.04549 0.00000 1.80323 11 4PX 0.00000 0.00000 0.00000 -0.24131 0.00000 12 4PY 0.08938 0.54253 1.60058 0.00000 -0.01516 13 4PZ -0.44777 0.57009 0.78392 0.00000 -0.13882 14 5S -2.37426 -1.79715 -7.59383 0.00000 -0.65459 15 5PX 0.00000 0.00000 0.00000 0.04908 0.00000 16 5PY 0.17793 -0.37647 -0.19639 0.00000 -1.03187 17 5PZ 0.36826 0.23481 -1.63264 0.00000 0.88145 18 6D 0 0.03220 0.04283 -0.06145 0.00000 0.08828 19 6D+1 0.00000 0.00000 0.00000 0.04296 0.00000 20 6D-1 0.00319 -0.01538 0.06040 0.00000 -0.12339 21 6D+2 -0.02052 -0.05638 0.04531 0.00000 -0.10065 22 6D-2 0.00000 0.00000 0.00000 0.06979 0.00000 23 7D 0 -0.34027 0.32066 0.20545 0.00000 -0.91528 24 7D+1 0.00000 0.00000 0.00000 -0.01414 0.00000 25 7D-1 0.30344 -1.18113 -0.42820 0.00000 -0.72374 26 7D+2 0.31668 -0.31126 -0.26071 0.00000 -0.74213 27 7D-2 0.00000 0.00000 0.00000 -0.06202 0.00000 28 2 C 1S 0.00000 0.00000 0.00801 0.00000 0.03047 29 2S 0.00000 0.00000 0.03358 0.00000 0.06076 30 2PX 0.00000 0.00000 0.00000 -0.54499 0.00000 31 2PY 0.05652 0.05811 0.00000 0.00000 0.00000 32 2PZ 0.00000 0.00000 -0.22767 0.00000 0.04324 33 3S 0.00000 0.00000 -0.54589 0.00000 -1.07205 34 3PX 0.00000 0.00000 0.00000 0.60427 0.00000 35 3PY -0.41800 0.81389 0.00000 0.00000 0.00000 36 3PZ 0.00000 0.00000 0.03284 0.00000 -0.81234 37 4S 0.00000 0.00000 -3.55036 0.00000 -0.74700 38 4PX 0.00000 0.00000 0.00000 -0.23181 0.00000 39 4PY 0.15632 0.67199 0.00000 0.00000 0.00000 40 4PZ 0.00000 0.00000 -1.32036 0.00000 -1.34094 41 5S 0.00000 0.00000 2.23156 0.00000 4.16224 42 5PX 0.00000 0.00000 0.00000 0.05823 0.00000 43 5PY -0.85144 -0.85604 0.00000 0.00000 0.00000 44 5PZ 0.00000 0.00000 0.49008 0.00000 0.24740 45 6D 0 0.00000 0.00000 0.02364 0.00000 -0.05425 46 6D+1 0.00000 0.00000 0.00000 0.08147 0.00000 47 6D-1 -0.00683 -0.06519 0.00000 0.00000 0.00000 48 6D+2 0.00000 0.00000 0.10238 0.00000 -0.24997 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00000 0.00000 0.43797 0.00000 -0.11210 51 7D+1 0.00000 0.00000 0.00000 -0.06119 0.00000 52 7D-1 0.71730 -0.69681 0.00000 0.00000 0.00000 53 7D+2 0.00000 0.00000 0.26144 0.00000 -0.17408 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.00398 -0.02199 0.00721 0.00000 0.00992 56 2S 0.02099 -0.05912 0.03594 0.00000 0.01296 57 2PX 0.00000 0.00000 0.00000 -0.54221 0.00000 58 2PY 0.35560 -0.01949 0.07765 0.00000 -0.00164 59 2PZ -0.15994 -0.00698 -0.09584 0.00000 0.01236 60 3S -0.69344 1.10282 -0.82201 0.00000 -0.39032 61 3PX 0.00000 0.00000 0.00000 0.59881 0.00000 62 3PY 0.02298 -0.02980 -0.37844 0.00000 0.39965 63 3PZ 0.14518 -0.06944 -0.15597 0.00000 -0.36732 64 4S 2.04008 -3.15969 4.04549 0.00000 1.80323 65 4PX 0.00000 0.00000 0.00000 -0.24131 0.00000 66 4PY 0.08938 0.54253 -1.60058 0.00000 0.01516 67 4PZ 0.44777 -0.57009 0.78392 0.00000 -0.13882 68 5S 2.37426 1.79715 -7.59383 0.00000 -0.65459 69 5PX 0.00000 0.00000 0.00000 0.04908 0.00000 70 5PY 0.17793 -0.37647 0.19639 0.00000 1.03187 71 5PZ -0.36826 -0.23481 -1.63264 0.00000 0.88145 72 6D 0 -0.03220 -0.04283 -0.06145 0.00000 0.08828 73 6D+1 0.00000 0.00000 0.00000 0.04296 0.00000 74 6D-1 0.00319 -0.01538 -0.06040 0.00000 0.12339 75 6D+2 0.02052 0.05638 0.04531 0.00000 -0.10065 76 6D-2 0.00000 0.00000 0.00000 -0.06979 0.00000 77 7D 0 0.34027 -0.32066 0.20545 0.00000 -0.91528 78 7D+1 0.00000 0.00000 0.00000 -0.01414 0.00000 79 7D-1 0.30344 -1.18113 0.42820 0.00000 0.72374 80 7D+2 -0.31668 0.31126 -0.26071 0.00000 -0.74213 81 7D-2 0.00000 0.00000 0.00000 0.06202 0.00000 82 4 C 1S -0.00168 -0.00996 0.01013 0.00000 -0.01607 83 2S 0.00018 -0.01756 0.03187 0.00000 -0.04814 84 2PX 0.00000 0.00000 0.00000 -0.51222 0.00000 85 2PY 0.22887 0.26468 -0.16061 0.00000 -0.00910 86 2PZ 0.08856 0.20669 -0.11401 0.00000 -0.00650 87 3S -0.10243 -0.02812 0.04890 0.00000 0.83108 88 3PX 0.00000 0.00000 0.00000 0.56431 0.00000 89 3PY 0.01342 -0.31466 -0.51917 0.00000 0.05641 90 3PZ 0.15433 -0.23803 0.05466 0.00000 -0.17827 91 4S -1.70779 4.01240 -6.03086 0.00000 -1.15143 92 4PX 0.00000 0.00000 0.00000 -0.23837 0.00000 93 4PY 0.63412 -0.72674 2.16815 0.00000 0.22657 94 4PZ 0.34705 -0.48811 1.08640 0.00000 0.14386 95 5S 2.60983 4.03108 13.06796 0.00000 -2.07080 96 5PX 0.00000 0.00000 0.00000 -0.02003 0.00000 97 5PY -0.36172 -0.13256 -1.14978 0.00000 -0.59753 98 5PZ 1.49307 1.10443 -2.19974 0.00000 1.32480 99 6D 0 -0.02645 -0.05583 -0.07450 0.00000 0.04932 100 6D+1 0.00000 0.00000 0.00000 -0.03800 0.00000 101 6D-1 0.00320 -0.01114 0.08968 0.00000 0.02053 102 6D+2 0.05352 -0.02427 -0.00982 0.00000 0.02049 103 6D-2 0.00000 0.00000 0.00000 -0.07675 0.00000 104 7D 0 0.08453 -0.53582 1.16442 0.00000 0.68190 105 7D+1 0.00000 0.00000 0.00000 0.04480 0.00000 106 7D-1 0.72515 -0.99580 -0.59789 0.00000 1.07222 107 7D+2 0.11130 -0.84087 1.24368 0.00000 0.56512 108 7D-2 0.00000 0.00000 0.00000 0.02423 0.00000 109 5 C 1S 0.00000 0.00000 -0.00876 0.00000 -0.03288 110 2S 0.00000 0.00000 -0.01374 0.00000 -0.08315 111 2PX 0.00000 0.00000 0.00000 -0.49917 0.00000 112 2PY 0.08154 -0.02875 0.00000 0.00000 0.00000 113 2PZ 0.00000 0.00000 -0.31097 0.00000 -0.00967 114 3S 0.00000 0.00000 0.07657 0.00000 1.38130 115 3PX 0.00000 0.00000 0.00000 0.54292 0.00000 116 3PY 0.36681 -0.89538 0.00000 0.00000 0.00000 117 3PZ 0.00000 0.00000 -0.08541 0.00000 -0.46346 118 4S 0.00000 0.00000 5.51926 0.00000 0.80334 119 4PX 0.00000 0.00000 0.00000 -0.30372 0.00000 120 4PY 0.88053 -1.19920 0.00000 0.00000 0.00000 121 4PZ 0.00000 0.00000 -4.76536 0.00000 -1.01780 122 5S 0.00000 0.00000 -10.69080 0.00000 -1.37286 123 5PX 0.00000 0.00000 0.00000 0.45036 0.00000 124 5PY -2.15587 -3.30564 0.00000 0.00000 0.00000 125 5PZ 0.00000 0.00000 4.30838 0.00000 -2.59285 126 6D 0 0.00000 0.00000 0.07060 0.00000 0.00666 127 6D+1 0.00000 0.00000 0.00000 -0.08178 0.00000 128 6D-1 0.04665 -0.06112 0.00000 0.00000 0.00000 129 6D+2 0.00000 0.00000 0.06578 0.00000 0.07954 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00000 0.00000 1.57161 0.00000 0.20369 132 7D+1 0.00000 0.00000 0.00000 0.05422 0.00000 133 7D-1 -0.29125 0.86005 0.00000 0.00000 0.00000 134 7D+2 0.00000 0.00000 0.60560 0.00000 0.27728 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S 0.00168 0.00996 0.01013 0.00000 -0.01607 137 2S -0.00018 0.01756 0.03187 0.00000 -0.04814 138 2PX 0.00000 0.00000 0.00000 -0.51222 0.00000 139 2PY 0.22887 0.26468 0.16061 0.00000 0.00910 140 2PZ -0.08856 -0.20669 -0.11401 0.00000 -0.00650 141 3S 0.10243 0.02812 0.04890 0.00000 0.83108 142 3PX 0.00000 0.00000 0.00000 0.56431 0.00000 143 3PY 0.01342 -0.31466 0.51917 0.00000 -0.05641 144 3PZ -0.15433 0.23803 0.05466 0.00000 -0.17827 145 4S 1.70779 -4.01240 -6.03086 0.00000 -1.15143 146 4PX 0.00000 0.00000 0.00000 -0.23837 0.00000 147 4PY 0.63412 -0.72674 -2.16815 0.00000 -0.22657 148 4PZ -0.34705 0.48811 1.08640 0.00000 0.14386 149 5S -2.60983 -4.03108 13.06796 0.00000 -2.07080 150 5PX 0.00000 0.00000 0.00000 -0.02003 0.00000 151 5PY -0.36172 -0.13256 1.14978 0.00000 0.59753 152 5PZ -1.49307 -1.10443 -2.19974 0.00000 1.32480 153 6D 0 0.02645 0.05583 -0.07450 0.00000 0.04932 154 6D+1 0.00000 0.00000 0.00000 -0.03800 0.00000 155 6D-1 0.00320 -0.01114 -0.08968 0.00000 -0.02053 156 6D+2 -0.05352 0.02427 -0.00982 0.00000 0.02049 157 6D-2 0.00000 0.00000 0.00000 0.07675 0.00000 158 7D 0 -0.08453 0.53582 1.16442 0.00000 0.68190 159 7D+1 0.00000 0.00000 0.00000 0.04480 0.00000 160 7D-1 0.72515 -0.99580 0.59789 0.00000 -1.07222 161 7D+2 -0.11130 0.84087 1.24368 0.00000 0.56512 162 7D-2 0.00000 0.00000 0.00000 -0.02423 0.00000 163 7 H 1S 0.40156 0.46223 0.03510 0.00000 0.14996 164 2S -0.17134 -0.66706 1.76158 0.00000 -0.50501 165 3S 0.82606 0.90922 -1.01063 0.00000 0.35239 166 4PX 0.00000 0.00000 0.00000 -0.02961 0.00000 167 4PY 0.38915 -0.23694 0.48410 0.00000 -0.44431 168 4PZ 0.14065 -0.66569 -0.84977 0.00000 -0.47752 169 8 Mg 1S 0.00000 0.00000 -0.00147 0.00000 0.00281 170 2S 0.00000 0.00000 -0.00305 0.00000 0.00934 171 3S 0.00000 0.00000 -0.00254 0.00000 -0.04837 172 4S 0.00000 0.00000 0.09903 0.00000 0.03322 173 5S 0.00000 0.00000 0.11063 0.00000 0.55763 174 6S 0.00000 0.00000 0.17448 0.00000 1.38388 175 7S 0.00000 0.00000 -0.11110 0.00000 0.07848 176 7PX 0.00000 0.00000 0.00000 -0.07387 0.00000 177 7PY -0.12408 -0.11234 0.00000 0.00000 0.00000 178 7PZ 0.00000 0.00000 0.06893 0.00000 -0.14173 179 8PX 0.00000 0.00000 0.00000 0.00177 0.00000 180 8PY -0.00122 0.01569 0.00000 0.00000 0.00000 181 8PZ 0.00000 0.00000 0.00124 0.00000 0.01246 182 9PX 0.00000 0.00000 0.00000 -0.00006 0.00000 183 9PY -0.00225 0.01161 0.00000 0.00000 0.00000 184 9PZ 0.00000 0.00000 -0.02346 0.00000 0.00652 185 10PX 0.00000 0.00000 0.00000 0.00069 0.00000 186 10PY 0.01140 -0.18924 0.00000 0.00000 0.00000 187 10PZ 0.00000 0.00000 0.23634 0.00000 -0.13526 188 11PX 0.00000 0.00000 0.00000 0.01270 0.00000 189 11PY -0.04637 0.43673 0.00000 0.00000 0.00000 190 11PZ 0.00000 0.00000 -1.61856 0.00000 -0.40928 191 12PX 0.00000 0.00000 0.00000 -0.22505 0.00000 192 12PY -0.10074 0.18331 0.00000 0.00000 0.00000 193 12PZ 0.00000 0.00000 1.03977 0.00000 -0.22376 194 13D 0 0.00000 0.00000 -0.42016 0.00000 0.04422 195 13D+1 0.00000 0.00000 0.00000 -0.00316 0.00000 196 13D-1 -0.02623 0.12862 0.00000 0.00000 0.00000 197 13D+2 0.00000 0.00000 -0.01742 0.00000 -0.00747 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00000 0.00000 0.20823 0.00000 -0.16460 200 14D+1 0.00000 0.00000 0.00000 0.05240 0.00000 201 14D-1 0.11835 -0.29614 0.00000 0.00000 0.00000 202 14D+2 0.00000 0.00000 -0.00574 0.00000 0.04618 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 0.00000 0.00067 0.00000 0.00027 205 2S 0.00000 0.00000 0.00216 0.00000 0.00085 206 3S 0.00000 0.00000 -0.00590 0.00000 -0.00212 207 4S 0.00000 0.00000 -0.00790 0.00000 -0.00416 208 5S 0.00000 0.00000 0.01713 0.00000 0.01047 209 6S 0.00000 0.00000 0.02992 0.00000 0.00415 210 7S 0.00000 0.00000 -0.28642 0.00000 -0.07468 211 8S 0.00000 0.00000 0.70945 0.00000 0.25510 212 9S 0.00000 0.00000 -0.94979 0.00000 0.03372 213 9PX 0.00000 0.00000 0.00000 0.13808 0.00000 214 9PY 0.12070 0.03378 0.00000 0.00000 0.00000 215 9PZ 0.00000 0.00000 0.26118 0.00000 0.09226 216 10PX 0.00000 0.00000 0.00000 -0.00030 0.00000 217 10PY -0.00065 -0.00005 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00299 0.00000 0.00006 219 11PX 0.00000 0.00000 0.00000 -0.00237 0.00000 220 11PY -0.00513 -0.00040 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00000 0.02365 0.00000 0.00050 222 12PX 0.00000 0.00000 0.00000 0.00610 0.00000 223 12PY 0.01283 0.00093 0.00000 0.00000 0.00000 224 12PZ 0.00000 0.00000 -0.05907 0.00000 -0.00134 225 13PX 0.00000 0.00000 0.00000 0.01565 0.00000 226 13PY 0.03528 0.00400 0.00000 0.00000 0.00000 227 13PZ 0.00000 0.00000 -0.17350 0.00000 -0.00253 228 14PX 0.00000 0.00000 0.00000 -0.05061 0.00000 229 14PY -0.10606 -0.01195 0.00000 0.00000 0.00000 230 14PZ 0.00000 0.00000 0.52727 0.00000 0.00854 231 15PX 0.00000 0.00000 0.00000 0.06190 0.00000 232 15PY 0.11110 0.01781 0.00000 0.00000 0.00000 233 15PZ 0.00000 0.00000 -0.52264 0.00000 -0.00340 234 16PX 0.00000 0.00000 0.00000 -0.08256 0.00000 235 16PY -0.12162 0.02414 0.00000 0.00000 0.00000 236 16PZ 0.00000 0.00000 -0.18340 0.00000 -0.17484 237 17D 0 0.00000 0.00000 -0.00058 0.00000 0.00451 238 17D+1 0.00000 0.00000 0.00000 0.00099 0.00000 239 17D-1 0.00307 0.00032 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00003 0.00000 -0.00212 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 0.00000 0.02496 0.00000 0.00646 243 18D+1 0.00000 0.00000 0.00000 0.00182 0.00000 244 18D-1 0.00474 0.00194 0.00000 0.00000 0.00000 245 18D+2 0.00000 0.00000 0.00018 0.00000 -0.00223 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00000 -0.05472 0.00000 -0.02318 248 19D+1 0.00000 0.00000 0.00000 -0.00586 0.00000 249 19D-1 -0.01520 -0.00442 0.00000 0.00000 0.00000 250 19D+2 0.00000 0.00000 -0.00042 0.00000 0.00910 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00000 0.00000 0.20031 0.00000 0.04366 253 20D+1 0.00000 0.00000 0.00000 0.01016 0.00000 254 20D-1 0.01853 -0.00256 0.00000 0.00000 0.00000 255 20D+2 0.00000 0.00000 0.00061 0.00000 -0.01022 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S -0.40156 -0.46223 0.03510 0.00000 0.14996 258 2S 0.17134 0.66706 1.76158 0.00000 -0.50501 259 3S -0.82606 -0.90922 -1.01063 0.00000 0.35239 260 4PX 0.00000 0.00000 0.00000 -0.02961 0.00000 261 4PY 0.38915 -0.23694 -0.48410 0.00000 0.44431 262 4PZ -0.14065 0.66569 -0.84977 0.00000 -0.47752 263 11 H 1S -0.57744 -0.01320 -0.36798 0.00000 0.34238 264 2S 0.67952 -0.50117 0.92698 0.00000 -1.18835 265 3S -1.05495 0.10586 -0.18262 0.00000 0.33629 266 4PX 0.00000 0.00000 0.00000 -0.04599 0.00000 267 4PY 0.13733 0.36320 -0.17818 0.00000 -0.04551 268 4PZ -0.15158 0.12535 0.02026 0.00000 -0.72661 269 12 H 1S 0.00000 0.00000 -0.50007 0.00000 0.42293 270 2S 0.00000 0.00000 0.50512 0.00000 -1.24327 271 3S 0.00000 0.00000 -0.77145 0.00000 0.02930 272 4PX 0.00000 0.00000 0.00000 -0.05011 0.00000 273 4PY 0.45709 -0.53784 0.00000 0.00000 0.00000 274 4PZ 0.00000 0.00000 -0.00701 0.00000 -0.24047 275 13 H 1S 0.57744 0.01320 -0.36798 0.00000 0.34238 276 2S -0.67952 0.50117 0.92698 0.00000 -1.18835 277 3S 1.05495 -0.10586 -0.18262 0.00000 0.33629 278 4PX 0.00000 0.00000 0.00000 -0.04599 0.00000 279 4PY 0.13733 0.36320 0.17818 0.00000 0.04551 280 4PZ 0.15158 -0.12535 0.02026 0.00000 -0.72661 201 202 203 204 205 (B2)--V (A1)--V (B2)--V (B2)--V (A1)--V Eigenvalues -- 2.66378 2.69486 2.74295 2.76028 2.76176 1 1 C 1S -0.02106 0.01356 -0.01164 0.01908 -0.02280 2 2S -0.04956 0.04502 -0.04223 0.04571 -0.05104 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY 0.01136 0.07979 -0.04458 0.10216 -0.02361 5 2PZ -0.08402 -0.03490 -0.13930 -0.00457 -0.12318 6 3S 0.80275 -0.37728 0.33634 0.03058 0.02767 7 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 3PY 0.50719 0.23002 -0.81930 0.64702 -0.53271 9 3PZ -0.28442 0.57788 -0.21906 0.48753 -0.04522 10 4S 0.27935 -2.96879 2.63408 -4.46738 4.17054 11 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 12 4PY 0.45600 0.15304 -0.31095 0.02267 0.73106 13 4PZ -0.11704 -0.90065 -0.67862 -0.50576 -0.25351 14 5S -1.84940 4.61653 -1.57566 11.66480 -23.28208 15 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 5PY -0.43591 0.53754 -0.48838 2.27478 -3.64205 17 5PZ 0.43129 0.70719 0.21902 0.15606 -1.29694 18 6D 0 -0.07970 -0.08980 0.11465 -0.00088 0.10645 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 0.04408 0.08352 -0.07885 0.10558 -0.01507 21 6D+2 0.03727 0.04832 -0.08473 0.03924 0.07012 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 7D 0 -1.52106 -0.43997 -0.38088 0.04400 -0.35940 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 -0.64698 -1.15458 0.64484 -1.33361 1.47962 26 7D+2 -0.82473 0.05444 -0.58594 0.89964 -1.10982 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 C 1S 0.00000 0.02529 0.00000 0.00000 0.03356 29 2S 0.00000 0.08260 0.00000 0.00000 0.07938 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY 0.08399 0.00000 0.20817 -0.04871 0.00000 32 2PZ 0.00000 0.19862 0.00000 0.00000 0.13002 33 3S 0.00000 -1.11018 0.00000 0.00000 -0.03282 34 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 35 3PY 0.53960 0.00000 -0.46162 0.24009 0.00000 36 3PZ 0.00000 0.57732 0.00000 0.00000 1.18265 37 4S 0.00000 -1.09628 0.00000 0.00000 -6.71111 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY 0.51717 0.00000 1.05885 -0.54722 0.00000 40 4PZ 0.00000 0.77584 0.00000 0.00000 -0.20422 41 5S 0.00000 -2.00740 0.00000 0.00000 28.17536 42 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 5PY -1.00763 0.00000 -0.60358 2.70502 0.00000 44 5PZ 0.00000 -0.31226 0.00000 0.00000 4.69587 45 6D 0 0.00000 0.00105 0.00000 0.00000 0.09791 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.02649 0.00000 -0.03725 0.14053 0.00000 48 6D+2 0.00000 0.12503 0.00000 0.00000 0.09973 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00000 -1.08605 0.00000 0.00000 -2.76003 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 2.38609 0.00000 0.27804 0.00110 0.00000 53 7D+2 0.00000 -0.47930 0.00000 0.00000 -0.18423 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.02106 0.01356 0.01164 -0.01908 -0.02280 56 2S 0.04956 0.04502 0.04223 -0.04571 -0.05104 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.01136 -0.07979 -0.04458 0.10216 0.02361 59 2PZ 0.08402 -0.03490 0.13930 0.00457 -0.12318 60 3S -0.80275 -0.37728 -0.33634 -0.03058 0.02767 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY 0.50719 -0.23002 -0.81930 0.64702 0.53271 63 3PZ 0.28442 0.57788 0.21906 -0.48753 -0.04522 64 4S -0.27935 -2.96879 -2.63408 4.46738 4.17054 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY 0.45600 -0.15304 -0.31095 0.02267 -0.73106 67 4PZ 0.11704 -0.90065 0.67862 0.50576 -0.25351 68 5S 1.84940 4.61653 1.57566 -11.66480 -23.28208 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY -0.43591 -0.53754 -0.48838 2.27478 3.64205 71 5PZ -0.43129 0.70719 -0.21902 -0.15606 -1.29694 72 6D 0 0.07970 -0.08980 -0.11465 0.00088 0.10645 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.04408 -0.08352 -0.07885 0.10558 0.01507 75 6D+2 -0.03727 0.04832 0.08473 -0.03924 0.07012 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 1.52106 -0.43997 0.38088 -0.04400 -0.35940 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 -0.64698 1.15458 0.64484 -1.33361 -1.47962 80 7D+2 0.82473 0.05444 0.58594 -0.89964 -1.10982 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S 0.01730 -0.01603 0.01113 0.02191 0.00614 83 2S 0.04057 -0.02934 0.04080 0.05379 0.00566 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY -0.03153 0.19587 -0.03197 -0.11397 -0.03034 86 2PZ 0.06227 -0.01719 -0.09230 -0.01167 0.00299 87 3S -0.77066 0.08747 -0.36714 -0.13119 0.07447 88 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 3PY 0.14592 -0.01040 -0.88020 -0.63263 0.21760 90 3PZ 0.53514 0.01654 -0.13886 -0.42794 0.15742 91 4S 0.18590 3.82241 -1.46859 -4.29331 -0.34289 92 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 4PY 0.41821 -1.14452 -0.63541 -0.06298 0.30087 94 4PZ 0.19551 -1.52700 -0.90998 0.63377 0.57901 95 5S -1.68481 -2.40924 3.15315 17.10728 11.99043 96 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PY 0.46087 0.16783 -0.37309 -3.04949 -1.24862 98 5PZ -0.08704 0.19632 0.04307 1.15160 -2.03719 99 6D 0 0.07843 -0.04386 -0.11602 -0.00981 0.11800 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 -0.05554 0.06202 0.05984 0.10164 0.01731 102 6D+2 -0.04555 0.10038 0.07101 0.03719 -0.04082 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 -0.39625 -0.23903 0.19422 0.22668 0.09669 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 -0.46850 1.30423 -0.68693 -1.33515 -0.60742 107 7D+2 -0.41020 -0.57071 0.37765 0.98325 0.23675 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 5 C 1S 0.00000 -0.01972 0.00000 0.00000 0.00326 110 2S 0.00000 -0.04300 0.00000 0.00000 0.00557 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY -0.09637 0.00000 0.16083 0.07481 0.00000 113 2PZ 0.00000 0.18703 0.00000 0.00000 -0.07642 114 3S 0.00000 0.82794 0.00000 0.00000 -0.09304 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY -0.30468 0.00000 -0.54414 -0.28344 0.00000 117 3PZ 0.00000 -0.14574 0.00000 0.00000 0.00043 118 4S 0.00000 -2.78600 0.00000 0.00000 -0.46910 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY 0.19522 0.00000 0.66158 0.35553 0.00000 121 4PZ 0.00000 2.42530 0.00000 0.00000 0.00512 122 5S 0.00000 1.51122 0.00000 0.00000 -6.67757 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 5PY 0.72926 0.00000 -1.32351 -6.31632 0.00000 125 5PZ 0.00000 3.27538 0.00000 0.00000 0.81206 126 6D 0 0.00000 0.01360 0.00000 0.00000 -0.00624 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 -0.06362 0.00000 0.01375 0.13221 0.00000 129 6D+2 0.00000 0.12143 0.00000 0.00000 -0.01993 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00000 -1.06839 0.00000 0.00000 0.44794 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.16824 0.00000 0.12441 -0.16403 0.00000 134 7D+2 0.00000 -0.36776 0.00000 0.00000 0.29086 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S -0.01730 -0.01603 -0.01113 -0.02191 0.00614 137 2S -0.04057 -0.02934 -0.04080 -0.05379 0.00566 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY -0.03153 -0.19587 -0.03197 -0.11397 0.03034 140 2PZ -0.06227 -0.01719 0.09230 0.01167 0.00299 141 3S 0.77066 0.08747 0.36714 0.13119 0.07447 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY 0.14592 0.01040 -0.88020 -0.63263 -0.21760 144 3PZ -0.53514 0.01654 0.13886 0.42794 0.15742 145 4S -0.18590 3.82241 1.46859 4.29331 -0.34289 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY 0.41821 1.14452 -0.63541 -0.06298 -0.30087 148 4PZ -0.19551 -1.52700 0.90998 -0.63377 0.57901 149 5S 1.68481 -2.40924 -3.15315 -17.10728 11.99043 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY 0.46087 -0.16783 -0.37309 -3.04949 1.24862 152 5PZ 0.08704 0.19632 -0.04307 -1.15160 -2.03719 153 6D 0 -0.07843 -0.04386 0.11602 0.00981 0.11800 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 -0.05554 -0.06202 0.05984 0.10164 -0.01731 156 6D+2 0.04555 0.10038 -0.07101 -0.03719 -0.04082 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.39625 -0.23903 -0.19422 -0.22668 0.09669 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 -0.46850 -1.30423 -0.68693 -1.33515 0.60742 161 7D+2 0.41020 -0.57071 -0.37765 -0.98325 0.23675 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S -0.12562 -0.30907 0.46968 0.29522 0.21356 164 2S 0.55432 -0.79652 -2.59261 -3.20421 -0.02907 165 3S -0.01358 0.28840 0.41967 1.02890 -0.15053 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY -0.05115 -0.50495 -0.76732 -0.97323 0.00201 168 4PZ -0.32350 0.08357 0.36526 0.47498 0.01107 169 8 Mg 1S 0.00000 0.00263 0.00000 0.00000 0.00009 170 2S 0.00000 0.00732 0.00000 0.00000 0.00103 171 3S 0.00000 -0.02370 0.00000 0.00000 -0.01288 172 4S 0.00000 -0.06107 0.00000 0.00000 0.04996 173 5S 0.00000 -0.27638 0.00000 0.00000 -0.19686 174 6S 0.00000 -2.64124 0.00000 0.00000 0.56042 175 7S 0.00000 -0.03549 0.00000 0.00000 0.00657 176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PY 0.01788 0.00000 -0.08080 -0.05104 0.00000 178 7PZ 0.00000 0.18587 0.00000 0.00000 -0.03955 179 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY 0.00429 0.00000 0.00121 -0.00181 0.00000 181 8PZ 0.00000 0.00669 0.00000 0.00000 -0.00498 182 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 9PY 0.00301 0.00000 0.00238 -0.00039 0.00000 184 9PZ 0.00000 0.02246 0.00000 0.00000 -0.01025 185 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 186 10PY -0.04224 0.00000 -0.07271 -0.02690 0.00000 187 10PZ 0.00000 -0.28914 0.00000 0.00000 0.17369 188 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 11PY -0.03513 0.00000 0.15791 0.17884 0.00000 190 11PZ 0.00000 1.30676 0.00000 0.00000 -0.26643 191 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 192 12PY -0.07028 0.00000 0.13098 0.11512 0.00000 193 12PZ 0.00000 0.24394 0.00000 0.00000 -0.29375 194 13D 0 0.00000 0.30670 0.00000 0.00000 -0.13275 195 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 196 13D-1 0.05123 0.00000 0.01247 -0.04652 0.00000 197 13D+2 0.00000 0.00805 0.00000 0.00000 0.00500 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00000 0.43536 0.00000 0.00000 -0.11175 200 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 201 14D-1 0.03732 0.00000 -0.14587 -0.01213 0.00000 202 14D+2 0.00000 -0.03756 0.00000 0.00000 -0.00877 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 -0.00083 0.00000 0.00000 0.00021 205 2S 0.00000 -0.00266 0.00000 0.00000 0.00066 206 3S 0.00000 0.00689 0.00000 0.00000 -0.00172 207 4S 0.00000 0.01162 0.00000 0.00000 -0.00279 208 5S 0.00000 -0.02789 0.00000 0.00000 0.00662 209 6S 0.00000 -0.02347 0.00000 0.00000 0.00653 210 7S 0.00000 0.29891 0.00000 0.00000 -0.07929 211 8S 0.00000 -0.95553 0.00000 0.00000 0.24123 212 9S 0.00000 0.10096 0.00000 0.00000 0.19979 213 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 214 9PY -0.00137 0.00000 0.03183 0.04227 0.00000 215 9PZ 0.00000 -0.19888 0.00000 0.00000 -0.02041 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00013 0.00000 -0.00020 -0.00014 0.00000 218 10PZ 0.00000 -0.00159 0.00000 0.00000 0.00036 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00108 0.00000 -0.00165 -0.00113 0.00000 221 11PZ 0.00000 -0.01265 0.00000 0.00000 0.00283 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY -0.00287 0.00000 0.00440 0.00302 0.00000 224 12PZ 0.00000 0.03213 0.00000 0.00000 -0.00707 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY -0.00596 0.00000 0.00900 0.00614 0.00000 227 13PZ 0.00000 0.09079 0.00000 0.00000 -0.02238 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY 0.01992 0.00000 -0.03103 -0.02112 0.00000 230 14PZ 0.00000 -0.28620 0.00000 0.00000 0.06925 231 15PX 0.00000 0.00000 0.00000 0.00000 0.00000 232 15PY -0.01912 0.00000 0.03334 0.02245 0.00000 233 15PZ 0.00000 0.29584 0.00000 0.00000 -0.06939 234 16PX 0.00000 0.00000 0.00000 0.00000 0.00000 235 16PY 0.00073 0.00000 0.00455 -0.02153 0.00000 236 16PZ 0.00000 0.44036 0.00000 0.00000 -0.13042 237 17D 0 0.00000 -0.00368 0.00000 0.00000 0.00054 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00171 0.00000 -0.00366 -0.00209 0.00000 240 17D+2 0.00000 0.00245 0.00000 0.00000 -0.00064 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 -0.02155 0.00000 0.00000 0.00670 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00322 0.00000 -0.00441 -0.00297 0.00000 245 18D+2 0.00000 0.00237 0.00000 0.00000 -0.00047 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.05584 0.00000 0.00000 -0.01624 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 -0.01035 0.00000 0.01732 0.01080 0.00000 250 19D+2 0.00000 -0.01018 0.00000 0.00000 0.00239 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00000 -0.17574 0.00000 0.00000 0.05404 253 20D+1 0.00000 0.00000 0.00000 0.00000 0.00000 254 20D-1 0.01493 0.00000 -0.02684 -0.01244 0.00000 255 20D+2 0.00000 0.01123 0.00000 0.00000 -0.00229 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.12562 -0.30907 -0.46968 -0.29522 0.21356 258 2S -0.55432 -0.79652 2.59261 3.20421 -0.02907 259 3S 0.01358 0.28840 -0.41967 -1.02890 -0.15053 260 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 261 4PY -0.05115 0.50495 -0.76732 -0.97323 -0.00201 262 4PZ 0.32350 0.08357 -0.36526 -0.47498 0.01107 263 11 H 1S 0.09380 -0.33794 -0.42360 0.27928 0.16823 264 2S -0.06919 2.02735 2.66602 -3.13032 -2.93186 265 3S -0.08067 -0.66651 -0.37529 0.93495 1.08216 266 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 267 4PY 0.36682 -0.80121 -0.73018 0.95537 0.83264 268 4PZ 0.74739 -0.02402 0.56787 -0.44486 -0.43127 269 12 H 1S 0.00000 -0.35520 0.00000 0.00000 -0.44969 270 2S 0.00000 2.49367 0.00000 0.00000 5.16387 271 3S 0.00000 -0.29935 0.00000 0.00000 -1.51290 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 1.10515 0.00000 0.14281 0.06889 0.00000 274 4PZ 0.00000 0.96044 0.00000 0.00000 1.68316 275 13 H 1S -0.09380 -0.33794 0.42360 -0.27928 0.16823 276 2S 0.06919 2.02735 -2.66602 3.13032 -2.93186 277 3S 0.08067 -0.66651 0.37529 -0.93495 1.08216 278 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 4PY 0.36682 0.80121 -0.73018 0.95537 -0.83264 280 4PZ -0.74739 -0.02402 -0.56787 0.44486 -0.43127 206 207 208 209 210 (A2)--V (B1)--V (A1)--V (A2)--V (B1)--V Eigenvalues -- 2.83141 2.83979 2.83985 2.84052 2.85289 1 1 C 1S 0.00000 0.00000 -0.01840 0.00000 0.00000 2 2S 0.00000 0.00000 -0.03908 0.00000 0.00000 3 2PX 0.18837 0.10581 0.00000 -0.90938 0.57840 4 2PY 0.00000 0.00000 -0.17624 0.00000 0.00000 5 2PZ 0.00000 0.00000 0.11362 0.00000 0.00000 6 3S 0.00000 0.00000 0.22186 0.00000 0.00000 7 3PX -0.25870 -0.14492 0.00000 1.25226 -0.80223 8 3PY 0.00000 0.00000 -0.15495 0.00000 0.00000 9 3PZ 0.00000 0.00000 -0.24233 0.00000 0.00000 10 4S 0.00000 0.00000 -0.46738 0.00000 0.00000 11 4PX 0.02020 0.07551 0.00000 -0.43161 0.26699 12 4PY 0.00000 0.00000 -1.12303 0.00000 0.00000 13 4PZ 0.00000 0.00000 -0.33374 0.00000 0.00000 14 5S 0.00000 0.00000 -23.31307 0.00000 0.00000 15 5PX 0.07448 -0.08782 0.00000 0.33391 -0.18901 16 5PY 0.00000 0.00000 -2.94294 0.00000 0.00000 17 5PZ 0.00000 0.00000 -2.60153 0.00000 0.00000 18 6D 0 0.00000 0.00000 -0.06244 0.00000 0.00000 19 6D+1 -0.02582 -0.09368 0.00000 -0.07776 -0.05222 20 6D-1 0.00000 0.00000 0.01770 0.00000 0.00000 21 6D+2 0.00000 0.00000 0.03865 0.00000 0.00000 22 6D-2 0.04139 0.04938 0.00000 -0.00881 0.07337 23 7D 0 0.00000 0.00000 -0.77353 0.00000 0.00000 24 7D+1 0.25520 0.29818 0.00000 -0.01935 -0.13260 25 7D-1 0.00000 0.00000 0.79109 0.00000 0.00000 26 7D+2 0.00000 0.00000 -0.89345 0.00000 0.00000 27 7D-2 -0.06482 -0.21522 0.00000 -0.02618 0.08825 28 2 C 1S 0.00000 0.00000 0.01338 0.00000 0.00000 29 2S 0.00000 0.00000 0.02899 0.00000 0.00000 30 2PX 0.00000 -1.04912 0.00000 0.00000 0.12105 31 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 32 2PZ 0.00000 0.00000 0.22140 0.00000 0.00000 33 3S 0.00000 0.00000 -0.23470 0.00000 0.00000 34 3PX 0.00000 1.44835 0.00000 0.00000 -0.16809 35 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 36 3PZ 0.00000 0.00000 -0.51621 0.00000 0.00000 37 4S 0.00000 0.00000 0.78945 0.00000 0.00000 38 4PX 0.00000 -0.48108 0.00000 0.00000 -0.01734 39 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 40 4PZ 0.00000 0.00000 -0.27575 0.00000 0.00000 41 5S 0.00000 0.00000 19.31317 0.00000 0.00000 42 5PX 0.00000 0.36819 0.00000 0.00000 0.13492 43 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 44 5PZ 0.00000 0.00000 3.60399 0.00000 0.00000 45 6D 0 0.00000 0.00000 -0.00563 0.00000 0.00000 46 6D+1 0.00000 -0.04938 0.00000 0.00000 0.03906 47 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 48 6D+2 0.00000 0.00000 -0.06498 0.00000 0.00000 49 6D-2 -0.07444 0.00000 0.00000 -0.12858 0.00000 50 7D 0 0.00000 0.00000 -1.30758 0.00000 0.00000 51 7D+1 0.00000 -0.02950 0.00000 0.00000 0.10338 52 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 53 7D+2 0.00000 0.00000 -0.48925 0.00000 0.00000 54 7D-2 -0.22752 0.00000 0.00000 0.41008 0.00000 55 3 C 1S 0.00000 0.00000 -0.01840 0.00000 0.00000 56 2S 0.00000 0.00000 -0.03908 0.00000 0.00000 57 2PX -0.18837 0.10581 0.00000 0.90938 0.57840 58 2PY 0.00000 0.00000 0.17624 0.00000 0.00000 59 2PZ 0.00000 0.00000 0.11362 0.00000 0.00000 60 3S 0.00000 0.00000 0.22186 0.00000 0.00000 61 3PX 0.25870 -0.14492 0.00000 -1.25226 -0.80223 62 3PY 0.00000 0.00000 0.15495 0.00000 0.00000 63 3PZ 0.00000 0.00000 -0.24233 0.00000 0.00000 64 4S 0.00000 0.00000 -0.46738 0.00000 0.00000 65 4PX -0.02020 0.07551 0.00000 0.43161 0.26699 66 4PY 0.00000 0.00000 1.12303 0.00000 0.00000 67 4PZ 0.00000 0.00000 -0.33374 0.00000 0.00000 68 5S 0.00000 0.00000 -23.31307 0.00000 0.00000 69 5PX -0.07448 -0.08782 0.00000 -0.33391 -0.18901 70 5PY 0.00000 0.00000 2.94294 0.00000 0.00000 71 5PZ 0.00000 0.00000 -2.60153 0.00000 0.00000 72 6D 0 0.00000 0.00000 -0.06244 0.00000 0.00000 73 6D+1 0.02582 -0.09368 0.00000 0.07776 -0.05222 74 6D-1 0.00000 0.00000 -0.01770 0.00000 0.00000 75 6D+2 0.00000 0.00000 0.03865 0.00000 0.00000 76 6D-2 0.04139 -0.04938 0.00000 -0.00881 -0.07337 77 7D 0 0.00000 0.00000 -0.77353 0.00000 0.00000 78 7D+1 -0.25520 0.29818 0.00000 0.01935 -0.13260 79 7D-1 0.00000 0.00000 -0.79109 0.00000 0.00000 80 7D+2 0.00000 0.00000 -0.89345 0.00000 0.00000 81 7D-2 -0.06482 0.21522 0.00000 -0.02618 -0.08825 82 4 C 1S 0.00000 0.00000 0.01387 0.00000 0.00000 83 2S 0.00000 0.00000 0.04384 0.00000 0.00000 84 2PX -0.91046 0.53019 0.00000 -0.17902 -0.17882 85 2PY 0.00000 0.00000 0.04897 0.00000 0.00000 86 2PZ 0.00000 0.00000 0.06865 0.00000 0.00000 87 3S 0.00000 0.00000 -0.32412 0.00000 0.00000 88 3PX 1.24236 -0.72899 0.00000 0.24525 0.23879 89 3PY 0.00000 0.00000 -0.54821 0.00000 0.00000 90 3PZ 0.00000 0.00000 -0.83121 0.00000 0.00000 91 4S 0.00000 0.00000 1.56136 0.00000 0.00000 92 4PX -0.41811 0.27890 0.00000 -0.15204 -0.03702 93 4PY 0.00000 0.00000 -3.14490 0.00000 0.00000 94 4PZ 0.00000 0.00000 -1.31405 0.00000 0.00000 95 5S 0.00000 0.00000 30.72742 0.00000 0.00000 96 5PX 0.27457 -0.22449 0.00000 0.19920 -0.07002 97 5PY 0.00000 0.00000 -4.40548 0.00000 0.00000 98 5PZ 0.00000 0.00000 -2.81588 0.00000 0.00000 99 6D 0 0.00000 0.00000 -0.11598 0.00000 0.00000 100 6D+1 0.04911 0.07161 0.00000 0.03821 0.10128 101 6D-1 0.00000 0.00000 0.10474 0.00000 0.00000 102 6D+2 0.00000 0.00000 0.07035 0.00000 0.00000 103 6D-2 0.02940 -0.07773 0.00000 -0.02519 -0.06413 104 7D 0 0.00000 0.00000 -0.27611 0.00000 0.00000 105 7D+1 0.09352 0.01982 0.00000 -0.21090 -0.33075 106 7D-1 0.00000 0.00000 -0.62256 0.00000 0.00000 107 7D+2 0.00000 0.00000 0.22932 0.00000 0.00000 108 7D-2 0.02274 -0.04777 0.00000 0.06406 0.25957 109 5 C 1S 0.00000 0.00000 -0.01588 0.00000 0.00000 110 2S 0.00000 0.00000 -0.01818 0.00000 0.00000 111 2PX 0.00000 -0.15839 0.00000 0.00000 -0.98654 112 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 113 2PZ 0.00000 0.00000 0.04319 0.00000 0.00000 114 3S 0.00000 0.00000 0.06708 0.00000 0.00000 115 3PX 0.00000 0.21721 0.00000 0.00000 1.37391 116 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 3PZ 0.00000 0.00000 -0.18603 0.00000 0.00000 118 4S 0.00000 0.00000 -4.23758 0.00000 0.00000 119 4PX 0.00000 -0.18280 0.00000 0.00000 -0.63635 120 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4PZ 0.00000 0.00000 3.83234 0.00000 0.00000 122 5S 0.00000 0.00000 -25.03369 0.00000 0.00000 123 5PX 0.00000 0.20200 0.00000 0.00000 0.44637 124 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 125 5PZ 0.00000 0.00000 10.95407 0.00000 0.00000 126 6D 0 0.00000 0.00000 -0.07095 0.00000 0.00000 127 6D+1 0.00000 -0.01532 0.00000 0.00000 -0.02050 128 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 129 6D+2 0.00000 0.00000 0.16000 0.00000 0.00000 130 6D-2 0.08002 0.00000 0.00000 0.09730 0.00000 131 7D 0 0.00000 0.00000 -0.64902 0.00000 0.00000 132 7D+1 0.00000 -0.05019 0.00000 0.00000 -0.05865 133 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 134 7D+2 0.00000 0.00000 -0.60271 0.00000 0.00000 135 7D-2 -0.40797 0.00000 0.00000 0.05888 0.00000 136 6 C 1S 0.00000 0.00000 0.01387 0.00000 0.00000 137 2S 0.00000 0.00000 0.04384 0.00000 0.00000 138 2PX 0.91046 0.53019 0.00000 0.17902 -0.17882 139 2PY 0.00000 0.00000 -0.04897 0.00000 0.00000 140 2PZ 0.00000 0.00000 0.06865 0.00000 0.00000 141 3S 0.00000 0.00000 -0.32412 0.00000 0.00000 142 3PX -1.24236 -0.72899 0.00000 -0.24525 0.23879 143 3PY 0.00000 0.00000 0.54821 0.00000 0.00000 144 3PZ 0.00000 0.00000 -0.83121 0.00000 0.00000 145 4S 0.00000 0.00000 1.56136 0.00000 0.00000 146 4PX 0.41811 0.27890 0.00000 0.15204 -0.03702 147 4PY 0.00000 0.00000 3.14490 0.00000 0.00000 148 4PZ 0.00000 0.00000 -1.31405 0.00000 0.00000 149 5S 0.00000 0.00000 30.72742 0.00000 0.00000 150 5PX -0.27457 -0.22449 0.00000 -0.19920 -0.07002 151 5PY 0.00000 0.00000 4.40548 0.00000 0.00000 152 5PZ 0.00000 0.00000 -2.81588 0.00000 0.00000 153 6D 0 0.00000 0.00000 -0.11598 0.00000 0.00000 154 6D+1 -0.04911 0.07161 0.00000 -0.03821 0.10128 155 6D-1 0.00000 0.00000 -0.10474 0.00000 0.00000 156 6D+2 0.00000 0.00000 0.07035 0.00000 0.00000 157 6D-2 0.02940 0.07773 0.00000 -0.02519 0.06413 158 7D 0 0.00000 0.00000 -0.27611 0.00000 0.00000 159 7D+1 -0.09352 0.01982 0.00000 0.21090 -0.33075 160 7D-1 0.00000 0.00000 0.62256 0.00000 0.00000 161 7D+2 0.00000 0.00000 0.22932 0.00000 0.00000 162 7D-2 0.02274 0.04777 0.00000 0.06406 -0.25957 163 7 H 1S 0.00000 0.00000 -0.78594 0.00000 0.00000 164 2S 0.00000 0.00000 3.34811 0.00000 0.00000 165 3S 0.00000 0.00000 -0.70898 0.00000 0.00000 166 4PX 0.18828 0.10431 0.00000 0.00621 -0.07246 167 4PY 0.00000 0.00000 0.79409 0.00000 0.00000 168 4PZ 0.00000 0.00000 -0.15779 0.00000 0.00000 169 8 Mg 1S 0.00000 0.00000 0.00029 0.00000 0.00000 170 2S 0.00000 0.00000 0.00047 0.00000 0.00000 171 3S 0.00000 0.00000 0.00221 0.00000 0.00000 172 4S 0.00000 0.00000 -0.02241 0.00000 0.00000 173 5S 0.00000 0.00000 -1.01041 0.00000 0.00000 174 6S 0.00000 0.00000 -4.87971 0.00000 0.00000 175 7S 0.00000 0.00000 0.25020 0.00000 0.00000 176 7PX 0.00000 0.02986 0.00000 0.00000 0.02760 177 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 7PZ 0.00000 0.00000 -0.08364 0.00000 0.00000 179 8PX 0.00000 -0.00148 0.00000 0.00000 0.01491 180 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 8PZ 0.00000 0.00000 -0.00339 0.00000 0.00000 182 9PX 0.00000 -0.00067 0.00000 0.00000 -0.00244 183 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 9PZ 0.00000 0.00000 0.00509 0.00000 0.00000 185 10PX 0.00000 0.01929 0.00000 0.00000 -0.04470 186 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 187 10PZ 0.00000 0.00000 0.09992 0.00000 0.00000 188 11PX 0.00000 -0.01240 0.00000 0.00000 0.10855 189 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 11PZ 0.00000 0.00000 1.29164 0.00000 0.00000 191 12PX 0.00000 0.03419 0.00000 0.00000 -0.20189 192 12PY 0.00000 0.00000 0.00000 0.00000 0.00000 193 12PZ 0.00000 0.00000 4.29572 0.00000 0.00000 194 13D 0 0.00000 0.00000 0.10005 0.00000 0.00000 195 13D+1 0.00000 -0.00784 0.00000 0.00000 0.03843 196 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 197 13D+2 0.00000 0.00000 -0.01642 0.00000 0.00000 198 13D-2 0.03217 0.00000 0.00000 -0.00361 0.00000 199 14D 0 0.00000 0.00000 -0.03268 0.00000 0.00000 200 14D+1 0.00000 -0.03290 0.00000 0.00000 -0.22009 201 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000 202 14D+2 0.00000 0.00000 0.00350 0.00000 0.00000 203 14D-2 0.00677 0.00000 0.00000 0.01125 0.00000 204 9 Br 1S 0.00000 0.00000 -0.00055 0.00000 0.00000 205 2S 0.00000 0.00000 -0.00175 0.00000 0.00000 206 3S 0.00000 0.00000 0.00438 0.00000 0.00000 207 4S 0.00000 0.00000 0.00852 0.00000 0.00000 208 5S 0.00000 0.00000 -0.02147 0.00000 0.00000 209 6S 0.00000 0.00000 -0.00959 0.00000 0.00000 210 7S 0.00000 0.00000 0.16822 0.00000 0.00000 211 8S 0.00000 0.00000 -0.46181 0.00000 0.00000 212 9S 0.00000 0.00000 -2.79738 0.00000 0.00000 213 9PX 0.00000 -0.03912 0.00000 0.00000 0.03869 214 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 215 9PZ 0.00000 0.00000 0.68805 0.00000 0.00000 216 10PX 0.00000 0.00007 0.00000 0.00000 0.00033 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 -0.00053 0.00000 0.00000 219 11PX 0.00000 0.00060 0.00000 0.00000 0.00263 220 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00000 -0.00427 0.00000 0.00000 222 12PX 0.00000 -0.00157 0.00000 0.00000 -0.00698 223 12PY 0.00000 0.00000 0.00000 0.00000 0.00000 224 12PZ 0.00000 0.00000 0.01110 0.00000 0.00000 225 13PX 0.00000 -0.00371 0.00000 0.00000 -0.01595 226 13PY 0.00000 0.00000 0.00000 0.00000 0.00000 227 13PZ 0.00000 0.00000 0.02820 0.00000 0.00000 228 14PX 0.00000 0.01276 0.00000 0.00000 0.05509 229 14PY 0.00000 0.00000 0.00000 0.00000 0.00000 230 14PZ 0.00000 0.00000 -0.09204 0.00000 0.00000 231 15PX 0.00000 -0.01758 0.00000 0.00000 -0.07349 232 15PY 0.00000 0.00000 0.00000 0.00000 0.00000 233 15PZ 0.00000 0.00000 0.07961 0.00000 0.00000 234 16PX 0.00000 0.03347 0.00000 0.00000 0.14344 235 16PY 0.00000 0.00000 0.00000 0.00000 0.00000 236 16PZ 0.00000 0.00000 0.33741 0.00000 0.00000 237 17D 0 0.00000 0.00000 -0.00489 0.00000 0.00000 238 17D+1 0.00000 -0.00053 0.00000 0.00000 -0.01143 239 17D-1 0.00000 0.00000 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00223 0.00000 0.00000 241 17D-2 -0.00276 0.00000 0.00000 -0.00151 0.00000 242 18D 0 0.00000 0.00000 -0.01417 0.00000 0.00000 243 18D+1 0.00000 -0.00098 0.00000 0.00000 -0.00962 244 18D-1 0.00000 0.00000 0.00000 0.00000 0.00000 245 18D+2 0.00000 0.00000 0.00153 0.00000 0.00000 246 18D-2 -0.00193 0.00000 0.00000 -0.00103 0.00000 247 19D 0 0.00000 0.00000 0.04250 0.00000 0.00000 248 19D+1 0.00000 0.00330 0.00000 0.00000 0.04656 249 19D-1 0.00000 0.00000 0.00000 0.00000 0.00000 250 19D+2 0.00000 0.00000 -0.00828 0.00000 0.00000 251 19D-2 0.01030 0.00000 0.00000 0.00560 0.00000 252 20D 0 0.00000 0.00000 -0.11601 0.00000 0.00000 253 20D+1 0.00000 -0.00681 0.00000 0.00000 -0.06780 254 20D-1 0.00000 0.00000 0.00000 0.00000 0.00000 255 20D+2 0.00000 0.00000 0.00876 0.00000 0.00000 256 20D-2 -0.01097 0.00000 0.00000 -0.00629 0.00000 257 10 H 1S 0.00000 0.00000 -0.78594 0.00000 0.00000 258 2S 0.00000 0.00000 3.34811 0.00000 0.00000 259 3S 0.00000 0.00000 -0.70898 0.00000 0.00000 260 4PX -0.18828 0.10431 0.00000 -0.00621 -0.07246 261 4PY 0.00000 0.00000 -0.79409 0.00000 0.00000 262 4PZ 0.00000 0.00000 -0.15779 0.00000 0.00000 263 11 H 1S 0.00000 0.00000 0.07578 0.00000 0.00000 264 2S 0.00000 0.00000 -1.90323 0.00000 0.00000 265 3S 0.00000 0.00000 0.40556 0.00000 0.00000 266 4PX -0.07441 -0.00404 0.00000 0.17614 0.10910 267 4PY 0.00000 0.00000 0.39173 0.00000 0.00000 268 4PZ 0.00000 0.00000 -0.45661 0.00000 0.00000 269 12 H 1S 0.00000 0.00000 0.33498 0.00000 0.00000 270 2S 0.00000 0.00000 0.34314 0.00000 0.00000 271 3S 0.00000 0.00000 -0.32577 0.00000 0.00000 272 4PX 0.00000 -0.20202 0.00000 0.00000 0.08496 273 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4PZ 0.00000 0.00000 0.15192 0.00000 0.00000 275 13 H 1S 0.00000 0.00000 0.07578 0.00000 0.00000 276 2S 0.00000 0.00000 -1.90323 0.00000 0.00000 277 3S 0.00000 0.00000 0.40556 0.00000 0.00000 278 4PX 0.07441 -0.00404 0.00000 -0.17614 0.10910 279 4PY 0.00000 0.00000 -0.39173 0.00000 0.00000 280 4PZ 0.00000 0.00000 -0.45661 0.00000 0.00000 211 212 213 214 215 (B2)--V (B2)--V (A2)--V (A1)--V (B1)--V Eigenvalues -- 2.95897 3.00703 3.06443 3.09268 3.10253 1 1 C 1S -0.01202 0.00329 0.00000 -0.00960 0.00000 2 2S -0.02816 0.00699 0.00000 -0.01651 0.00000 3 2PX 0.00000 0.00000 -0.03142 0.00000 0.38567 4 2PY -0.31587 -0.07050 0.00000 0.15537 0.00000 5 2PZ -0.16448 0.24776 0.00000 0.01890 0.00000 6 3S 0.20454 -0.03152 0.00000 0.19643 0.00000 7 3PX 0.00000 0.00000 0.04333 0.00000 -0.61784 8 3PY 0.69176 0.06163 0.00000 -0.37877 0.00000 9 3PZ 0.23200 -0.31598 0.00000 -0.39032 0.00000 10 4S 4.36745 -1.16234 0.00000 -3.80723 0.00000 11 4PX 0.00000 0.00000 -0.02094 0.00000 0.10338 12 4PY 2.74458 -0.82392 0.00000 -2.98700 0.00000 13 4PZ 2.05692 -0.10750 0.00000 -1.29253 0.00000 14 5S 1.57117 2.24434 0.00000 -12.58043 0.00000 15 5PX 0.00000 0.00000 -0.03584 0.00000 -0.44551 16 5PY 0.91953 1.03169 0.00000 -2.73377 0.00000 17 5PZ 0.01567 -0.66717 0.00000 -0.76530 0.00000 18 6D 0 -0.14773 -0.27599 0.00000 -0.23217 0.00000 19 6D+1 0.00000 0.00000 0.41825 0.00000 -0.12099 20 6D-1 0.02246 -0.21451 0.00000 0.10076 0.00000 21 6D+2 -0.04767 -0.17164 0.00000 0.12740 0.00000 22 6D-2 0.00000 0.00000 -0.25197 0.00000 -0.20111 23 7D 0 0.00565 0.36392 0.00000 1.11547 0.00000 24 7D+1 0.00000 0.00000 -0.19940 0.00000 -0.13677 25 7D-1 1.75675 -0.19029 0.00000 -0.98624 0.00000 26 7D+2 -0.33496 0.32218 0.00000 0.52824 0.00000 27 7D-2 0.00000 0.00000 0.13820 0.00000 -0.30409 28 2 C 1S 0.00000 0.00000 0.00000 -0.00465 0.00000 29 2S 0.00000 0.00000 0.00000 -0.00676 0.00000 30 2PX 0.00000 0.00000 0.00000 0.00000 -0.54510 31 2PY -0.11584 0.29851 0.00000 0.00000 0.00000 32 2PZ 0.00000 0.00000 0.00000 -0.20027 0.00000 33 3S 0.00000 0.00000 0.00000 -0.29931 0.00000 34 3PX 0.00000 0.00000 0.00000 0.00000 0.83091 35 3PY -0.28446 -0.27904 0.00000 0.00000 0.00000 36 3PZ 0.00000 0.00000 0.00000 0.38010 0.00000 37 4S 0.00000 0.00000 0.00000 5.00999 0.00000 38 4PX 0.00000 0.00000 0.00000 0.00000 -0.19023 39 4PY 0.84522 0.39116 0.00000 0.00000 0.00000 40 4PZ 0.00000 0.00000 0.00000 4.19712 0.00000 41 5S 0.00000 0.00000 0.00000 15.86108 0.00000 42 5PX 0.00000 0.00000 0.00000 0.00000 0.46427 43 5PY -0.03814 1.05988 0.00000 0.00000 0.00000 44 5PZ 0.00000 0.00000 0.00000 3.18345 0.00000 45 6D 0 0.00000 0.00000 0.00000 0.01269 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 -0.19041 47 6D-1 -0.12976 -0.39020 0.00000 0.00000 0.00000 48 6D+2 0.00000 0.00000 0.00000 0.29331 0.00000 49 6D-2 0.00000 0.00000 0.49542 0.00000 0.00000 50 7D 0 0.00000 0.00000 0.00000 1.67831 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.47884 52 7D-1 1.21414 0.27815 0.00000 0.00000 0.00000 53 7D+2 0.00000 0.00000 0.00000 0.54576 0.00000 54 7D-2 0.00000 0.00000 -0.25547 0.00000 0.00000 55 3 C 1S 0.01202 -0.00329 0.00000 -0.00960 0.00000 56 2S 0.02816 -0.00699 0.00000 -0.01651 0.00000 57 2PX 0.00000 0.00000 0.03142 0.00000 0.38567 58 2PY -0.31587 -0.07050 0.00000 -0.15537 0.00000 59 2PZ 0.16448 -0.24776 0.00000 0.01890 0.00000 60 3S -0.20454 0.03152 0.00000 0.19643 0.00000 61 3PX 0.00000 0.00000 -0.04333 0.00000 -0.61784 62 3PY 0.69176 0.06163 0.00000 0.37877 0.00000 63 3PZ -0.23200 0.31598 0.00000 -0.39032 0.00000 64 4S -4.36745 1.16234 0.00000 -3.80723 0.00000 65 4PX 0.00000 0.00000 0.02094 0.00000 0.10338 66 4PY 2.74458 -0.82392 0.00000 2.98700 0.00000 67 4PZ -2.05692 0.10750 0.00000 -1.29253 0.00000 68 5S -1.57117 -2.24434 0.00000 -12.58043 0.00000 69 5PX 0.00000 0.00000 0.03584 0.00000 -0.44551 70 5PY 0.91953 1.03169 0.00000 2.73377 0.00000 71 5PZ -0.01567 0.66717 0.00000 -0.76530 0.00000 72 6D 0 0.14773 0.27599 0.00000 -0.23217 0.00000 73 6D+1 0.00000 0.00000 -0.41825 0.00000 -0.12099 74 6D-1 0.02246 -0.21451 0.00000 -0.10076 0.00000 75 6D+2 0.04767 0.17164 0.00000 0.12740 0.00000 76 6D-2 0.00000 0.00000 -0.25197 0.00000 0.20111 77 7D 0 -0.00565 -0.36392 0.00000 1.11547 0.00000 78 7D+1 0.00000 0.00000 0.19940 0.00000 -0.13677 79 7D-1 1.75675 -0.19029 0.00000 0.98624 0.00000 80 7D+2 0.33496 -0.32218 0.00000 0.52824 0.00000 81 7D-2 0.00000 0.00000 0.13820 0.00000 0.30409 82 4 C 1S -0.00235 -0.00129 0.00000 0.00260 0.00000 83 2S -0.00690 -0.00191 0.00000 0.01645 0.00000 84 2PX 0.00000 0.00000 -0.02266 0.00000 -0.53643 85 2PY 0.21556 -0.21328 0.00000 -0.19510 0.00000 86 2PZ 0.28751 0.19329 0.00000 0.02552 0.00000 87 3S -0.15305 0.08516 0.00000 -0.48594 0.00000 88 3PX 0.00000 0.00000 0.02531 0.00000 0.80768 89 3PY -0.44993 0.32447 0.00000 0.34553 0.00000 90 3PZ -0.35234 -0.26577 0.00000 0.11522 0.00000 91 4S 4.60234 -1.14703 0.00000 1.10568 0.00000 92 4PX 0.00000 0.00000 -0.02402 0.00000 -0.24965 93 4PY -2.76082 0.21265 0.00000 -1.11660 0.00000 94 4PZ -1.67602 0.96610 0.00000 -1.31668 0.00000 95 5S 7.76435 8.06846 0.00000 13.92563 0.00000 96 5PX 0.00000 0.00000 -0.05673 0.00000 0.57997 97 5PY -1.78953 -1.88789 0.00000 -3.12586 0.00000 98 5PZ 1.15000 1.47193 0.00000 0.06621 0.00000 99 6D 0 0.03579 0.28872 0.00000 -0.24147 0.00000 100 6D+1 0.00000 0.00000 0.39445 0.00000 0.10715 101 6D-1 0.04339 0.20606 0.00000 0.02954 0.00000 102 6D+2 -0.02429 0.17809 0.00000 0.19398 0.00000 103 6D-2 0.00000 0.00000 -0.20403 0.00000 0.17056 104 7D 0 0.11915 -0.43869 0.00000 0.45233 0.00000 105 7D+1 0.00000 0.00000 -0.22912 0.00000 -0.19524 106 7D-1 1.69528 -0.64998 0.00000 0.73862 0.00000 107 7D+2 -0.25307 -0.18500 0.00000 0.02283 0.00000 108 7D-2 0.00000 0.00000 0.10399 0.00000 -0.39506 109 5 C 1S 0.00000 0.00000 0.00000 -0.02294 0.00000 110 2S 0.00000 0.00000 0.00000 -0.04592 0.00000 111 2PX 0.00000 0.00000 0.00000 0.00000 0.51532 112 2PY 0.30604 0.21474 0.00000 0.00000 0.00000 113 2PZ 0.00000 0.00000 0.00000 0.46298 0.00000 114 3S 0.00000 0.00000 0.00000 0.53013 0.00000 115 3PX 0.00000 0.00000 0.00000 0.00000 -0.80522 116 3PY 0.16711 -0.39342 0.00000 0.00000 0.00000 117 3PZ 0.00000 0.00000 0.00000 -0.94307 0.00000 118 4S 0.00000 0.00000 0.00000 0.21449 0.00000 119 4PX 0.00000 0.00000 0.00000 0.00000 0.19883 120 4PY -0.91018 0.62791 0.00000 0.00000 0.00000 121 4PZ 0.00000 0.00000 0.00000 0.74466 0.00000 122 5S 0.00000 0.00000 0.00000 -14.21533 0.00000 123 5PX 0.00000 0.00000 0.00000 0.00000 -0.70577 124 5PY -4.40395 -5.34496 0.00000 0.00000 0.00000 125 5PZ 0.00000 0.00000 0.00000 4.74673 0.00000 126 6D 0 0.00000 0.00000 0.00000 0.06715 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.20067 128 6D-1 -0.02696 0.40677 0.00000 0.00000 0.00000 129 6D+2 0.00000 0.00000 0.00000 0.37987 0.00000 130 6D-2 0.00000 0.00000 0.41525 0.00000 0.00000 131 7D 0 0.00000 0.00000 0.00000 -0.21881 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.27124 133 7D-1 0.43981 -0.50343 0.00000 0.00000 0.00000 134 7D+2 0.00000 0.00000 0.00000 -0.40161 0.00000 135 7D-2 0.00000 0.00000 -0.19070 0.00000 0.00000 136 6 C 1S 0.00235 0.00129 0.00000 0.00260 0.00000 137 2S 0.00690 0.00191 0.00000 0.01645 0.00000 138 2PX 0.00000 0.00000 0.02266 0.00000 -0.53643 139 2PY 0.21556 -0.21328 0.00000 0.19510 0.00000 140 2PZ -0.28751 -0.19329 0.00000 0.02552 0.00000 141 3S 0.15305 -0.08516 0.00000 -0.48594 0.00000 142 3PX 0.00000 0.00000 -0.02531 0.00000 0.80768 143 3PY -0.44993 0.32447 0.00000 -0.34553 0.00000 144 3PZ 0.35234 0.26577 0.00000 0.11522 0.00000 145 4S -4.60234 1.14703 0.00000 1.10568 0.00000 146 4PX 0.00000 0.00000 0.02402 0.00000 -0.24965 147 4PY -2.76082 0.21265 0.00000 1.11660 0.00000 148 4PZ 1.67602 -0.96610 0.00000 -1.31668 0.00000 149 5S -7.76435 -8.06846 0.00000 13.92563 0.00000 150 5PX 0.00000 0.00000 0.05673 0.00000 0.57997 151 5PY -1.78953 -1.88789 0.00000 3.12586 0.00000 152 5PZ -1.15000 -1.47193 0.00000 0.06621 0.00000 153 6D 0 -0.03579 -0.28872 0.00000 -0.24147 0.00000 154 6D+1 0.00000 0.00000 -0.39445 0.00000 0.10715 155 6D-1 0.04339 0.20606 0.00000 -0.02954 0.00000 156 6D+2 0.02429 -0.17809 0.00000 0.19398 0.00000 157 6D-2 0.00000 0.00000 -0.20403 0.00000 -0.17056 158 7D 0 -0.11915 0.43869 0.00000 0.45233 0.00000 159 7D+1 0.00000 0.00000 0.22912 0.00000 -0.19524 160 7D-1 1.69528 -0.64998 0.00000 -0.73862 0.00000 161 7D+2 0.25307 0.18500 0.00000 0.02283 0.00000 162 7D-2 0.00000 0.00000 0.10399 0.00000 0.39506 163 7 H 1S 0.51405 -0.10710 0.00000 -0.02666 0.00000 164 2S -0.21601 0.06549 0.00000 -0.16435 0.00000 165 3S -0.48191 0.01288 0.00000 0.50387 0.00000 166 4PX 0.00000 0.00000 -0.00419 0.00000 0.08174 167 4PY 0.32673 -0.10908 0.00000 -0.21549 0.00000 168 4PZ 0.24621 -0.14257 0.00000 -0.10865 0.00000 169 8 Mg 1S 0.00000 0.00000 0.00000 0.00891 0.00000 170 2S 0.00000 0.00000 0.00000 0.03003 0.00000 171 3S 0.00000 0.00000 0.00000 -0.16485 0.00000 172 4S 0.00000 0.00000 0.00000 0.14291 0.00000 173 5S 0.00000 0.00000 0.00000 -0.09931 0.00000 174 6S 0.00000 0.00000 0.00000 -2.70724 0.00000 175 7S 0.00000 0.00000 0.00000 0.27146 0.00000 176 7PX 0.00000 0.00000 0.00000 0.00000 -0.04445 177 7PY -0.03066 -0.03881 0.00000 0.00000 0.00000 178 7PZ 0.00000 0.00000 0.00000 -0.12214 0.00000 179 8PX 0.00000 0.00000 0.00000 0.00000 0.01116 180 8PY 0.00939 -0.00268 0.00000 0.00000 0.00000 181 8PZ 0.00000 0.00000 0.00000 0.02259 0.00000 182 9PX 0.00000 0.00000 0.00000 0.00000 -0.00043 183 9PY 0.00161 -0.00081 0.00000 0.00000 0.00000 184 9PZ 0.00000 0.00000 0.00000 0.00995 0.00000 185 10PX 0.00000 0.00000 0.00000 0.00000 -0.07009 186 10PY -0.09020 0.00221 0.00000 0.00000 0.00000 187 10PZ 0.00000 0.00000 0.00000 -0.18602 0.00000 188 11PX 0.00000 0.00000 0.00000 0.00000 0.05266 189 11PY 0.33389 0.09449 0.00000 0.00000 0.00000 190 11PZ 0.00000 0.00000 0.00000 0.91994 0.00000 191 12PX 0.00000 0.00000 0.00000 0.00000 0.08923 192 12PY 0.30771 0.42765 0.00000 0.00000 0.00000 193 12PZ 0.00000 0.00000 0.00000 2.60446 0.00000 194 13D 0 0.00000 0.00000 0.00000 0.16068 0.00000 195 13D+1 0.00000 0.00000 0.00000 0.00000 0.06615 196 13D-1 0.03996 -0.04239 0.00000 0.00000 0.00000 197 13D+2 0.00000 0.00000 0.00000 -0.00010 0.00000 198 13D-2 0.00000 0.00000 -0.00828 0.00000 0.00000 199 14D 0 0.00000 0.00000 0.00000 -0.08641 0.00000 200 14D+1 0.00000 0.00000 0.00000 0.00000 -0.06432 201 14D-1 -0.21885 0.09334 0.00000 0.00000 0.00000 202 14D+2 0.00000 0.00000 0.00000 0.06481 0.00000 203 14D-2 0.00000 0.00000 0.07051 0.00000 0.00000 204 9 Br 1S 0.00000 0.00000 0.00000 -0.00043 0.00000 205 2S 0.00000 0.00000 0.00000 -0.00135 0.00000 206 3S 0.00000 0.00000 0.00000 0.00327 0.00000 207 4S 0.00000 0.00000 0.00000 0.00711 0.00000 208 5S 0.00000 0.00000 0.00000 -0.01860 0.00000 209 6S 0.00000 0.00000 0.00000 -0.00375 0.00000 210 7S 0.00000 0.00000 0.00000 0.11989 0.00000 211 8S 0.00000 0.00000 0.00000 -0.32148 0.00000 212 9S 0.00000 0.00000 0.00000 -1.72684 0.00000 213 9PX 0.00000 0.00000 0.00000 0.00000 0.00623 214 9PY -0.04108 -0.06172 0.00000 0.00000 0.00000 215 9PZ 0.00000 0.00000 0.00000 0.43920 0.00000 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00008 217 10PY 0.00001 -0.00019 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00000 -0.00048 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00063 220 11PY 0.00009 -0.00156 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00000 0.00000 -0.00388 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 -0.00177 223 12PY -0.00025 0.00429 0.00000 0.00000 0.00000 224 12PZ 0.00000 0.00000 0.00000 0.01067 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 -0.00272 226 13PY -0.00046 0.00790 0.00000 0.00000 0.00000 227 13PZ 0.00000 0.00000 0.00000 0.02012 0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 0.01078 229 14PY 0.00170 -0.02970 0.00000 0.00000 0.00000 230 14PZ 0.00000 0.00000 0.00000 -0.07479 0.00000 231 15PX 0.00000 0.00000 0.00000 0.00000 -0.01208 232 15PY -0.00303 0.03947 0.00000 0.00000 0.00000 233 15PZ 0.00000 0.00000 0.00000 0.07224 0.00000 234 16PX 0.00000 0.00000 0.00000 0.00000 0.01939 235 16PY 0.04244 -0.08084 0.00000 0.00000 0.00000 236 16PZ 0.00000 0.00000 0.00000 0.22662 0.00000 237 17D 0 0.00000 0.00000 0.00000 -0.00420 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 -0.00244 239 17D-1 -0.00126 0.00408 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00000 -0.00220 0.00000 241 17D-2 0.00000 0.00000 -0.00487 0.00000 0.00000 242 18D 0 0.00000 0.00000 0.00000 -0.00898 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00012 244 18D-1 -0.00102 0.00221 0.00000 0.00000 0.00000 245 18D+2 0.00000 0.00000 0.00000 -0.00104 0.00000 246 18D-2 0.00000 0.00000 -0.00199 0.00000 0.00000 247 19D 0 0.00000 0.00000 0.00000 0.03093 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00596 249 19D-1 0.00528 -0.01475 0.00000 0.00000 0.00000 250 19D+2 0.00000 0.00000 0.00000 0.00775 0.00000 251 19D-2 0.00000 0.00000 0.01637 0.00000 0.00000 252 20D 0 0.00000 0.00000 0.00000 -0.08765 0.00000 253 20D+1 0.00000 0.00000 0.00000 0.00000 -0.00948 254 20D-1 -0.01360 0.02666 0.00000 0.00000 0.00000 255 20D+2 0.00000 0.00000 0.00000 -0.01144 0.00000 256 20D-2 0.00000 0.00000 -0.02197 0.00000 0.00000 257 10 H 1S -0.51405 0.10710 0.00000 -0.02666 0.00000 258 2S 0.21601 -0.06549 0.00000 -0.16435 0.00000 259 3S 0.48191 -0.01288 0.00000 0.50387 0.00000 260 4PX 0.00000 0.00000 0.00419 0.00000 0.08174 261 4PY 0.32673 -0.10908 0.00000 0.21549 0.00000 262 4PZ -0.24621 0.14257 0.00000 -0.10865 0.00000 263 11 H 1S 0.54759 -0.11976 0.00000 0.61402 0.00000 264 2S -0.20962 -0.06821 0.00000 -0.76911 0.00000 265 3S -0.61215 0.20748 0.00000 -0.38626 0.00000 266 4PX 0.00000 0.00000 -0.00555 0.00000 -0.14913 267 4PY -0.29084 0.06083 0.00000 0.17360 0.00000 268 4PZ -0.10200 -0.04763 0.00000 0.11930 0.00000 269 12 H 1S 0.00000 0.00000 0.00000 -0.36823 0.00000 270 2S 0.00000 0.00000 0.00000 -0.14922 0.00000 271 3S 0.00000 0.00000 0.00000 1.06702 0.00000 272 4PX 0.00000 0.00000 0.00000 0.00000 0.09796 273 4PY 0.39576 0.00329 0.00000 0.00000 0.00000 274 4PZ 0.00000 0.00000 0.00000 -0.27972 0.00000 275 13 H 1S -0.54759 0.11976 0.00000 0.61402 0.00000 276 2S 0.20962 0.06821 0.00000 -0.76911 0.00000 277 3S 0.61215 -0.20748 0.00000 -0.38626 0.00000 278 4PX 0.00000 0.00000 0.00555 0.00000 -0.14913 279 4PY -0.29084 0.06083 0.00000 -0.17360 0.00000 280 4PZ 0.10200 0.04763 0.00000 0.11930 0.00000 216 217 218 219 220 (A1)--V (B1)--V (B2)--V (B2)--V (A1)--V Eigenvalues -- 3.13105 3.15567 3.20850 3.21792 3.22502 1 1 C 1S -0.00103 0.00000 -0.00048 0.00317 0.00327 2 2S -0.00631 0.00000 -0.00784 0.01496 -0.00301 3 2PX 0.00000 -0.30793 0.00000 0.00000 0.00000 4 2PY 0.04266 0.00000 0.15906 0.19512 -0.08406 5 2PZ 0.00157 0.00000 -0.45109 -0.13653 -0.04698 6 3S 0.41909 0.00000 0.37450 -0.62762 0.60223 7 3PX 0.00000 0.43047 0.00000 0.00000 0.00000 8 3PY 0.00036 0.00000 0.21578 -0.53092 0.31670 9 3PZ -0.15786 0.00000 0.51378 -0.10848 0.27613 10 4S -3.81967 0.00000 1.02933 0.88889 -2.27363 11 4PX 0.00000 -0.18789 0.00000 0.00000 0.00000 12 4PY -3.15024 0.00000 0.93481 -0.02495 -0.64235 13 4PZ -1.47710 0.00000 0.53029 0.35504 -0.54986 14 5S -19.01261 0.00000 0.75769 1.52776 5.04376 15 5PX 0.00000 0.27063 0.00000 0.00000 0.00000 16 5PY -3.38768 0.00000 -0.69122 -0.39716 0.53670 17 5PZ -2.04622 0.00000 1.28126 1.32949 0.56396 18 6D 0 0.07288 0.00000 0.09721 -0.41756 0.08971 19 6D+1 0.00000 -0.26240 0.00000 0.00000 0.00000 20 6D-1 -0.18047 0.00000 -0.14117 -0.05835 -0.08670 21 6D+2 -0.29086 0.00000 -0.24842 0.11180 -0.23556 22 6D-2 0.00000 -0.37299 0.00000 0.00000 0.00000 23 7D 0 0.96795 0.00000 -0.25918 0.93165 0.21335 24 7D+1 0.00000 0.17173 0.00000 0.00000 0.00000 25 7D-1 -0.76711 0.00000 0.25084 0.28593 0.30453 26 7D+2 0.85563 0.00000 0.14085 0.06614 0.81487 27 7D-2 0.00000 0.38027 0.00000 0.00000 0.00000 28 2 C 1S 0.01277 0.00000 0.00000 0.00000 -0.01066 29 2S 0.01865 0.00000 0.00000 0.00000 -0.02778 30 2PX 0.00000 0.18870 0.00000 0.00000 0.00000 31 2PY 0.00000 0.00000 -0.39335 -0.33117 0.00000 32 2PZ -0.21153 0.00000 0.00000 0.00000 -0.10768 33 3S -0.08965 0.00000 0.00000 0.00000 0.68626 34 3PX 0.00000 -0.34741 0.00000 0.00000 0.00000 35 3PY 0.00000 0.00000 0.35396 0.19240 0.00000 36 3PZ 0.71944 0.00000 0.00000 0.00000 0.52029 37 4S 4.32783 0.00000 0.00000 0.00000 1.79291 38 4PX 0.00000 0.02262 0.00000 0.00000 0.00000 39 4PY 0.00000 0.00000 0.29984 0.01727 0.00000 40 4PZ 4.04578 0.00000 0.00000 0.00000 0.99917 41 5S 19.51654 0.00000 0.00000 0.00000 -4.85386 42 5PX 0.00000 -0.20009 0.00000 0.00000 0.00000 43 5PY 0.00000 0.00000 -1.27169 -1.01530 0.00000 44 5PZ 3.92507 0.00000 0.00000 0.00000 -1.06725 45 6D 0 0.00531 0.00000 0.00000 0.00000 0.07996 46 6D+1 0.00000 -0.48626 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00000 -0.38440 0.02048 0.00000 48 6D+2 -0.39025 0.00000 0.00000 0.00000 -0.37422 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 1.53523 0.00000 0.00000 0.00000 0.30084 51 7D+1 0.00000 -0.05674 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.00000 1.20271 -0.63480 0.00000 53 7D+2 1.20172 0.00000 0.00000 0.00000 0.38885 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S -0.00103 0.00000 0.00048 -0.00317 0.00327 56 2S -0.00631 0.00000 0.00784 -0.01496 -0.00301 57 2PX 0.00000 -0.30793 0.00000 0.00000 0.00000 58 2PY -0.04266 0.00000 0.15906 0.19512 0.08406 59 2PZ 0.00157 0.00000 0.45109 0.13653 -0.04698 60 3S 0.41909 0.00000 -0.37450 0.62762 0.60223 61 3PX 0.00000 0.43047 0.00000 0.00000 0.00000 62 3PY -0.00036 0.00000 0.21578 -0.53092 -0.31670 63 3PZ -0.15786 0.00000 -0.51378 0.10848 0.27613 64 4S -3.81967 0.00000 -1.02933 -0.88889 -2.27363 65 4PX 0.00000 -0.18789 0.00000 0.00000 0.00000 66 4PY 3.15024 0.00000 0.93481 -0.02495 0.64235 67 4PZ -1.47710 0.00000 -0.53029 -0.35504 -0.54986 68 5S -19.01261 0.00000 -0.75769 -1.52776 5.04376 69 5PX 0.00000 0.27063 0.00000 0.00000 0.00000 70 5PY 3.38768 0.00000 -0.69122 -0.39716 -0.53670 71 5PZ -2.04622 0.00000 -1.28126 -1.32949 0.56396 72 6D 0 0.07288 0.00000 -0.09721 0.41756 0.08971 73 6D+1 0.00000 -0.26240 0.00000 0.00000 0.00000 74 6D-1 0.18047 0.00000 -0.14117 -0.05835 0.08670 75 6D+2 -0.29086 0.00000 0.24842 -0.11180 -0.23556 76 6D-2 0.00000 0.37299 0.00000 0.00000 0.00000 77 7D 0 0.96795 0.00000 0.25918 -0.93165 0.21335 78 7D+1 0.00000 0.17173 0.00000 0.00000 0.00000 79 7D-1 0.76711 0.00000 0.25084 0.28593 -0.30453 80 7D+2 0.85563 0.00000 -0.14085 -0.06614 0.81487 81 7D-2 0.00000 -0.38027 0.00000 0.00000 0.00000 82 4 C 1S 0.02000 0.00000 -0.00336 0.00424 -0.00158 83 2S 0.04623 0.00000 0.00063 -0.00118 0.00415 84 2PX 0.00000 0.13381 0.00000 0.00000 0.00000 85 2PY -0.06653 0.00000 0.09625 0.23157 -0.20398 86 2PZ -0.02431 0.00000 -0.37410 -0.22718 0.21802 87 3S -0.59434 0.00000 -0.48694 0.56091 -0.40408 88 3PX 0.00000 -0.24497 0.00000 0.00000 0.00000 89 3PY -0.03266 0.00000 0.21297 -0.63337 0.50538 90 3PZ 0.14027 0.00000 0.50380 -0.07663 -0.34173 91 4S 2.14818 0.00000 3.50104 0.20928 1.00869 92 4PX 0.00000 0.07705 0.00000 0.00000 0.00000 93 4PY -1.78506 0.00000 -1.40077 -0.18653 -0.19203 94 4PZ -1.67728 0.00000 0.04272 -0.40195 -0.16641 95 5S 18.40362 0.00000 1.04674 4.14950 -3.20239 96 5PX 0.00000 -0.10984 0.00000 0.00000 0.00000 97 5PY -3.07799 0.00000 0.47512 0.30698 0.15793 98 5PZ -1.45341 0.00000 -1.55555 -0.87644 0.42681 99 6D 0 0.08735 0.00000 -0.08812 0.43636 0.11798 100 6D+1 0.00000 0.28745 0.00000 0.00000 0.00000 101 6D-1 -0.20711 0.00000 0.12898 0.00506 0.24199 102 6D+2 -0.13261 0.00000 0.23017 -0.16230 0.31052 103 6D-2 0.00000 0.24642 0.00000 0.00000 0.00000 104 7D 0 -0.07419 0.00000 0.08171 -0.70114 -0.79593 105 7D+1 0.00000 -0.08312 0.00000 0.00000 0.00000 106 7D-1 0.97312 0.00000 0.05430 -0.14707 -0.44404 107 7D+2 0.14286 0.00000 -0.57578 0.24028 -0.87946 108 7D-2 0.00000 0.13827 0.00000 0.00000 0.00000 109 5 C 1S -0.00678 0.00000 0.00000 0.00000 -0.00170 110 2S -0.02577 0.00000 0.00000 0.00000 0.01788 111 2PX 0.00000 -0.41947 0.00000 0.00000 0.00000 112 2PY 0.00000 0.00000 -0.33954 -0.44527 0.00000 113 2PZ 0.56160 0.00000 0.00000 0.00000 -0.35252 114 3S 0.56176 0.00000 0.00000 0.00000 -0.89618 115 3PX 0.00000 0.66789 0.00000 0.00000 0.00000 116 3PY 0.00000 0.00000 0.27622 0.50502 0.00000 117 3PZ -1.02439 0.00000 0.00000 0.00000 0.94198 118 4S -0.14560 0.00000 0.00000 0.00000 -0.95804 119 4PX 0.00000 -0.35523 0.00000 0.00000 0.00000 120 4PY 0.00000 0.00000 -2.25486 -0.57241 0.00000 121 4PZ 2.97665 0.00000 0.00000 0.00000 -1.15851 122 5S -16.50902 0.00000 0.00000 0.00000 1.56019 123 5PX 0.00000 -0.09694 0.00000 0.00000 0.00000 124 5PY 0.00000 0.00000 0.88482 -1.15281 0.00000 125 5PZ 4.05714 0.00000 0.00000 0.00000 0.06727 126 6D 0 0.05304 0.00000 0.00000 0.00000 -0.02035 127 6D+1 0.00000 0.13481 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00000 0.38713 -0.11296 0.00000 129 6D+2 -0.17762 0.00000 0.00000 0.00000 0.56142 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 -0.32686 0.00000 0.00000 0.00000 -0.64090 132 7D+1 0.00000 -0.23774 0.00000 0.00000 0.00000 133 7D-1 0.00000 0.00000 -0.37895 0.51705 0.00000 134 7D+2 -0.07541 0.00000 0.00000 0.00000 -1.10123 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S 0.02000 0.00000 0.00336 -0.00424 -0.00158 137 2S 0.04623 0.00000 -0.00063 0.00118 0.00415 138 2PX 0.00000 0.13381 0.00000 0.00000 0.00000 139 2PY 0.06653 0.00000 0.09625 0.23157 0.20398 140 2PZ -0.02431 0.00000 0.37410 0.22718 0.21802 141 3S -0.59434 0.00000 0.48694 -0.56091 -0.40408 142 3PX 0.00000 -0.24497 0.00000 0.00000 0.00000 143 3PY 0.03266 0.00000 0.21297 -0.63337 -0.50538 144 3PZ 0.14027 0.00000 -0.50380 0.07663 -0.34173 145 4S 2.14818 0.00000 -3.50104 -0.20928 1.00869 146 4PX 0.00000 0.07705 0.00000 0.00000 0.00000 147 4PY 1.78506 0.00000 -1.40077 -0.18653 0.19203 148 4PZ -1.67728 0.00000 -0.04272 0.40195 -0.16641 149 5S 18.40362 0.00000 -1.04674 -4.14950 -3.20239 150 5PX 0.00000 -0.10984 0.00000 0.00000 0.00000 151 5PY 3.07799 0.00000 0.47512 0.30698 -0.15793 152 5PZ -1.45341 0.00000 1.55555 0.87644 0.42681 153 6D 0 0.08735 0.00000 0.08812 -0.43636 0.11798 154 6D+1 0.00000 0.28745 0.00000 0.00000 0.00000 155 6D-1 0.20711 0.00000 0.12898 0.00506 -0.24199 156 6D+2 -0.13261 0.00000 -0.23017 0.16230 0.31052 157 6D-2 0.00000 -0.24642 0.00000 0.00000 0.00000 158 7D 0 -0.07419 0.00000 -0.08171 0.70114 -0.79593 159 7D+1 0.00000 -0.08312 0.00000 0.00000 0.00000 160 7D-1 -0.97312 0.00000 0.05430 -0.14707 0.44404 161 7D+2 0.14286 0.00000 0.57578 -0.24028 -0.87946 162 7D-2 0.00000 -0.13827 0.00000 0.00000 0.00000 163 7 H 1S -0.47697 0.00000 -0.00347 0.22394 0.03450 164 2S 0.83977 0.00000 0.71648 -1.07191 -0.65526 165 3S 0.23147 0.00000 -0.43112 0.46160 0.27520 166 4PX 0.00000 -0.10528 0.00000 0.00000 0.00000 167 4PY 0.06548 0.00000 0.21249 -0.33028 0.03716 168 4PZ -0.20505 0.00000 -0.18591 0.01093 0.42207 169 8 Mg 1S 0.00905 0.00000 0.00000 0.00000 -0.02390 170 2S 0.03127 0.00000 0.00000 0.00000 -0.08456 171 3S -0.17964 0.00000 0.00000 0.00000 0.50639 172 4S 0.19853 0.00000 0.00000 0.00000 -0.62683 173 5S -0.81371 0.00000 0.00000 0.00000 0.84829 174 6S -2.54010 0.00000 0.00000 0.00000 1.62892 175 7S 0.07160 0.00000 0.00000 0.00000 0.02005 176 7PX 0.00000 -0.03255 0.00000 0.00000 0.00000 177 7PY 0.00000 0.00000 0.03406 -0.06898 0.00000 178 7PZ 0.01439 0.00000 0.00000 0.00000 0.03580 179 8PX 0.00000 0.00273 0.00000 0.00000 0.00000 180 8PY 0.00000 0.00000 -0.01745 0.01803 0.00000 181 8PZ 0.01761 0.00000 0.00000 0.00000 -0.02823 182 9PX 0.00000 -0.00271 0.00000 0.00000 0.00000 183 9PY 0.00000 0.00000 -0.00053 0.00281 0.00000 184 9PZ 0.00033 0.00000 0.00000 0.00000 0.01444 185 10PX 0.00000 0.00622 0.00000 0.00000 0.00000 186 10PY 0.00000 0.00000 0.11147 -0.18708 0.00000 187 10PZ 0.10922 0.00000 0.00000 0.00000 -0.17035 188 11PX 0.00000 0.07135 0.00000 0.00000 0.00000 189 11PY 0.00000 0.00000 0.20949 0.44240 0.00000 190 11PZ 1.19306 0.00000 0.00000 0.00000 -0.41996 191 12PX 0.00000 0.10852 0.00000 0.00000 0.00000 192 12PY 0.00000 0.00000 0.19865 0.30062 0.00000 193 12PZ 0.07633 0.00000 0.00000 0.00000 0.65292 194 13D 0 0.06548 0.00000 0.00000 0.00000 0.14965 195 13D+1 0.00000 -0.01375 0.00000 0.00000 0.00000 196 13D-1 0.00000 0.00000 -0.15362 0.08751 0.00000 197 13D+2 -0.02679 0.00000 0.00000 0.00000 0.05556 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 -0.66749 0.00000 0.00000 0.00000 0.99936 200 14D+1 0.00000 -0.25658 0.00000 0.00000 0.00000 201 14D-1 0.00000 0.00000 -0.41517 -0.56716 0.00000 202 14D+2 -0.02433 0.00000 0.00000 0.00000 -0.00469 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S -0.00003 0.00000 0.00000 0.00000 -0.00074 205 2S -0.00010 0.00000 0.00000 0.00000 -0.00233 206 3S 0.00029 0.00000 0.00000 0.00000 0.00566 207 4S 0.00032 0.00000 0.00000 0.00000 0.01227 208 5S -0.00064 0.00000 0.00000 0.00000 -0.03221 209 6S -0.00194 0.00000 0.00000 0.00000 -0.00701 210 7S 0.01450 0.00000 0.00000 0.00000 0.22864 211 8S 0.13115 0.00000 0.00000 0.00000 -0.88274 212 9S 0.55627 0.00000 0.00000 0.00000 -1.21321 213 9PX 0.00000 -0.01629 0.00000 0.00000 0.00000 214 9PY 0.00000 0.00000 -0.07744 -0.03611 0.00000 215 9PZ -0.25603 0.00000 0.00000 0.00000 0.36014 216 10PX 0.00000 0.00009 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00004 0.00014 0.00000 218 10PZ -0.00021 0.00000 0.00000 0.00000 -0.00081 219 11PX 0.00000 0.00073 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00031 0.00109 0.00000 221 11PZ -0.00174 0.00000 0.00000 0.00000 -0.00652 222 12PX 0.00000 -0.00186 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00000 -0.00051 -0.00287 0.00000 224 12PZ 0.00495 0.00000 0.00000 0.00000 0.01727 225 13PX 0.00000 -0.00593 0.00000 0.00000 0.00000 226 13PY 0.00000 0.00000 -0.00674 -0.00797 0.00000 227 13PZ 0.00660 0.00000 0.00000 0.00000 0.04476 228 14PX 0.00000 0.02043 0.00000 0.00000 0.00000 229 14PY 0.00000 0.00000 0.02060 0.02827 0.00000 230 14PZ -0.02720 0.00000 0.00000 0.00000 -0.15574 231 15PX 0.00000 -0.03805 0.00000 0.00000 0.00000 232 15PY 0.00000 0.00000 -0.05138 -0.05102 0.00000 233 15PZ 0.01271 0.00000 0.00000 0.00000 0.18811 234 16PX 0.00000 0.13196 0.00000 0.00000 0.00000 235 16PY 0.00000 0.00000 0.21261 0.21108 0.00000 236 16PZ 0.03142 0.00000 0.00000 0.00000 0.34169 237 17D 0 -0.00497 0.00000 0.00000 0.00000 0.00708 238 17D+1 0.00000 -0.01213 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 -0.01789 -0.01638 0.00000 240 17D+2 0.00331 0.00000 0.00000 0.00000 -0.00150 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 -0.00670 0.00000 0.00000 0.00000 -0.01125 243 18D+1 0.00000 -0.00627 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00000 -0.01064 -0.00598 0.00000 245 18D+2 0.00097 0.00000 0.00000 0.00000 -0.00023 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.02769 0.00000 0.00000 0.00000 0.00746 248 19D+1 0.00000 0.04492 0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00000 0.07016 0.05646 0.00000 250 19D+2 -0.01050 0.00000 0.00000 0.00000 0.00444 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 -0.06439 0.00000 0.00000 0.00000 -0.08209 253 20D+1 0.00000 -0.07944 0.00000 0.00000 0.00000 254 20D-1 0.00000 0.00000 -0.12788 -0.10924 0.00000 255 20D+2 0.01388 0.00000 0.00000 0.00000 -0.00563 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S -0.47697 0.00000 0.00347 -0.22394 0.03450 258 2S 0.83977 0.00000 -0.71648 1.07191 -0.65526 259 3S 0.23147 0.00000 0.43112 -0.46160 0.27520 260 4PX 0.00000 -0.10528 0.00000 0.00000 0.00000 261 4PY -0.06548 0.00000 0.21249 -0.33028 -0.03716 262 4PZ -0.20505 0.00000 0.18591 -0.01093 0.42207 263 11 H 1S 0.22564 0.00000 0.20064 -0.15287 -0.03398 264 2S 0.14209 0.00000 -0.63099 0.65405 0.70095 265 3S -0.91190 0.00000 -0.07016 -0.25301 -0.48761 266 4PX 0.00000 0.06040 0.00000 0.00000 0.00000 267 4PY -0.08331 0.00000 0.12072 -0.28976 -0.06538 268 4PZ 0.29319 0.00000 -0.04648 -0.12556 0.31310 269 12 H 1S -0.73289 0.00000 0.00000 0.00000 -0.26613 270 2S 0.98286 0.00000 0.00000 0.00000 0.43793 271 3S 0.57005 0.00000 0.00000 0.00000 0.01991 272 4PX 0.00000 -0.09976 0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 0.35030 -0.21943 0.00000 274 4PZ 0.11090 0.00000 0.00000 0.00000 0.06280 275 13 H 1S 0.22564 0.00000 -0.20064 0.15287 -0.03398 276 2S 0.14209 0.00000 0.63099 -0.65405 0.70095 277 3S -0.91190 0.00000 0.07016 0.25301 -0.48761 278 4PX 0.00000 0.06040 0.00000 0.00000 0.00000 279 4PY 0.08331 0.00000 0.12072 -0.28976 0.06538 280 4PZ 0.29319 0.00000 0.04648 0.12556 0.31310 221 222 223 224 225 (B1)--V (A2)--V (A1)--V (A2)--V (B2)--V Eigenvalues -- 3.29402 3.29870 3.30686 3.31724 3.36001 1 1 C 1S 0.00000 0.00000 -0.00254 0.00000 0.01621 2 2S 0.00000 0.00000 0.00281 0.00000 0.01620 3 2PX -0.10335 0.02991 0.00000 0.13510 0.00000 4 2PY 0.00000 0.00000 -0.04159 0.00000 -0.35048 5 2PZ 0.00000 0.00000 0.30234 0.00000 0.13598 6 3S 0.00000 0.00000 -0.50981 0.00000 0.79993 7 3PX 0.16401 0.08132 0.00000 -0.21057 0.00000 8 3PY 0.00000 0.00000 0.07348 0.00000 1.10487 9 3PZ 0.00000 0.00000 -0.67720 0.00000 -0.10155 10 4S 0.00000 0.00000 4.64330 0.00000 -5.18583 11 4PX -0.08078 0.19292 0.00000 0.16295 0.00000 12 4PY 0.00000 0.00000 2.96941 0.00000 -1.38574 13 4PZ 0.00000 0.00000 1.78848 0.00000 -0.76689 14 5S 0.00000 0.00000 10.95851 0.00000 8.26353 15 5PX 0.05849 -0.15655 0.00000 -0.12667 0.00000 16 5PY 0.00000 0.00000 2.50407 0.00000 1.43708 17 5PZ 0.00000 0.00000 0.98929 0.00000 0.62947 18 6D 0 0.00000 0.00000 -0.22474 0.00000 -0.01753 19 6D+1 -0.42651 0.23145 0.00000 -0.29563 0.00000 20 6D-1 0.00000 0.00000 -0.25337 0.00000 -0.07796 21 6D+2 0.00000 0.00000 -0.09430 0.00000 -0.26773 22 6D-2 0.32742 0.54015 0.00000 0.02601 0.00000 23 7D 0 0.00000 0.00000 0.31921 0.00000 -0.34494 24 7D+1 0.40277 -0.26435 0.00000 0.16477 0.00000 25 7D-1 0.00000 0.00000 1.89212 0.00000 0.22349 26 7D+2 0.00000 0.00000 -0.42117 0.00000 1.22510 27 7D-2 -0.15474 -0.36544 0.00000 -0.17629 0.00000 28 2 C 1S 0.00000 0.00000 0.00498 0.00000 0.00000 29 2S 0.00000 0.00000 -0.01042 0.00000 0.00000 30 2PX 0.10208 0.00000 0.00000 0.00000 0.00000 31 2PY 0.00000 0.00000 0.00000 0.00000 0.50449 32 2PZ 0.00000 0.00000 -0.28143 0.00000 0.00000 33 3S 0.00000 0.00000 1.31409 0.00000 0.00000 34 3PX -0.02150 0.00000 0.00000 0.00000 0.00000 35 3PY 0.00000 0.00000 0.00000 0.00000 -1.14065 36 3PZ 0.00000 0.00000 1.01579 0.00000 0.00000 37 4S 0.00000 0.00000 -6.83241 0.00000 0.00000 38 4PX 0.26040 0.00000 0.00000 0.00000 0.00000 39 4PY 0.00000 0.00000 0.00000 0.00000 0.01653 40 4PZ 0.00000 0.00000 -3.73454 0.00000 0.00000 41 5S 0.00000 0.00000 -10.24586 0.00000 0.00000 42 5PX -0.18717 0.00000 0.00000 0.00000 0.00000 43 5PY 0.00000 0.00000 0.00000 0.00000 1.11775 44 5PZ 0.00000 0.00000 -2.03501 0.00000 0.00000 45 6D 0 0.00000 0.00000 0.22790 0.00000 0.00000 46 6D+1 0.58311 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00000 0.00000 0.00000 -0.43242 48 6D+2 0.00000 0.00000 -0.27864 0.00000 0.00000 49 6D-2 0.00000 -0.51443 0.00000 -0.34298 0.00000 50 7D 0 0.00000 0.00000 -1.89700 0.00000 0.00000 51 7D+1 -0.53633 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.00000 0.00000 0.00000 1.11309 53 7D+2 0.00000 0.00000 0.38713 0.00000 0.00000 54 7D-2 0.00000 0.48017 0.00000 0.07211 0.00000 55 3 C 1S 0.00000 0.00000 -0.00254 0.00000 -0.01621 56 2S 0.00000 0.00000 0.00281 0.00000 -0.01620 57 2PX -0.10335 -0.02991 0.00000 -0.13510 0.00000 58 2PY 0.00000 0.00000 0.04159 0.00000 -0.35048 59 2PZ 0.00000 0.00000 0.30234 0.00000 -0.13598 60 3S 0.00000 0.00000 -0.50981 0.00000 -0.79993 61 3PX 0.16401 -0.08132 0.00000 0.21057 0.00000 62 3PY 0.00000 0.00000 -0.07348 0.00000 1.10487 63 3PZ 0.00000 0.00000 -0.67720 0.00000 0.10155 64 4S 0.00000 0.00000 4.64330 0.00000 5.18583 65 4PX -0.08078 -0.19292 0.00000 -0.16295 0.00000 66 4PY 0.00000 0.00000 -2.96941 0.00000 -1.38574 67 4PZ 0.00000 0.00000 1.78848 0.00000 0.76689 68 5S 0.00000 0.00000 10.95851 0.00000 -8.26353 69 5PX 0.05849 0.15655 0.00000 0.12667 0.00000 70 5PY 0.00000 0.00000 -2.50407 0.00000 1.43708 71 5PZ 0.00000 0.00000 0.98929 0.00000 -0.62947 72 6D 0 0.00000 0.00000 -0.22474 0.00000 0.01753 73 6D+1 -0.42651 -0.23145 0.00000 0.29563 0.00000 74 6D-1 0.00000 0.00000 0.25337 0.00000 -0.07796 75 6D+2 0.00000 0.00000 -0.09430 0.00000 0.26773 76 6D-2 -0.32742 0.54015 0.00000 0.02601 0.00000 77 7D 0 0.00000 0.00000 0.31921 0.00000 0.34494 78 7D+1 0.40277 0.26435 0.00000 -0.16477 0.00000 79 7D-1 0.00000 0.00000 -1.89212 0.00000 0.22349 80 7D+2 0.00000 0.00000 -0.42117 0.00000 -1.22510 81 7D-2 0.15474 -0.36544 0.00000 -0.17629 0.00000 82 4 C 1S 0.00000 0.00000 -0.00659 0.00000 0.02284 83 2S 0.00000 0.00000 -0.00664 0.00000 0.03273 84 2PX -0.03520 0.11933 0.00000 0.07236 0.00000 85 2PY 0.00000 0.00000 0.12799 0.00000 0.33812 86 2PZ 0.00000 0.00000 -0.21455 0.00000 -0.14480 87 3S 0.00000 0.00000 -0.15193 0.00000 0.36562 88 3PX -0.01628 -0.22641 0.00000 0.00291 0.00000 89 3PY 0.00000 0.00000 -0.01450 0.00000 -0.94351 90 3PZ 0.00000 0.00000 0.62511 0.00000 0.20501 91 4S 0.00000 0.00000 -1.26747 0.00000 -5.06207 92 4PX -0.16252 0.09454 0.00000 0.22121 0.00000 93 4PY 0.00000 0.00000 1.82758 0.00000 1.51656 94 4PZ 0.00000 0.00000 0.83383 0.00000 0.87547 95 5S 0.00000 0.00000 -15.84445 0.00000 13.16619 96 5PX 0.12342 -0.08420 0.00000 -0.19092 0.00000 97 5PY 0.00000 0.00000 3.50347 0.00000 -2.17127 98 5PZ 0.00000 0.00000 0.78405 0.00000 0.31890 99 6D 0 0.00000 0.00000 -0.25211 0.00000 -0.10163 100 6D+1 0.42678 0.39244 0.00000 -0.06853 0.00000 101 6D-1 0.00000 0.00000 0.08491 0.00000 -0.10934 102 6D+2 0.00000 0.00000 0.02802 0.00000 -0.16612 103 6D-2 0.09756 0.12662 0.00000 -0.56180 0.00000 104 7D 0 0.00000 0.00000 0.93634 0.00000 0.05675 105 7D+1 -0.17110 -0.25648 0.00000 0.15833 0.00000 106 7D-1 0.00000 0.00000 -1.39919 0.00000 0.25013 107 7D+2 0.00000 0.00000 0.14903 0.00000 1.27126 108 7D-2 -0.16501 0.05389 0.00000 0.43741 0.00000 109 5 C 1S 0.00000 0.00000 0.02319 0.00000 0.00000 110 2S 0.00000 0.00000 0.05077 0.00000 0.00000 111 2PX 0.18654 0.00000 0.00000 0.00000 0.00000 112 2PY 0.00000 0.00000 0.00000 0.00000 -0.45973 113 2PZ 0.00000 0.00000 0.18692 0.00000 0.00000 114 3S 0.00000 0.00000 -0.75659 0.00000 0.00000 115 3PX -0.28654 0.00000 0.00000 0.00000 0.00000 116 3PY 0.00000 0.00000 0.00000 0.00000 1.10524 117 3PZ 0.00000 0.00000 -0.35663 0.00000 0.00000 118 4S 0.00000 0.00000 1.33418 0.00000 0.00000 119 4PX 0.22593 0.00000 0.00000 0.00000 0.00000 120 4PY 0.00000 0.00000 0.00000 0.00000 -0.07959 121 4PZ 0.00000 0.00000 -0.24612 0.00000 0.00000 122 5S 0.00000 0.00000 24.60534 0.00000 0.00000 123 5PX -0.19182 0.00000 0.00000 0.00000 0.00000 124 5PY 0.00000 0.00000 0.00000 0.00000 -4.49587 125 5PZ 0.00000 0.00000 -2.21826 0.00000 0.00000 126 6D 0 0.00000 0.00000 -0.15242 0.00000 0.00000 127 6D+1 0.11093 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00000 0.00000 0.00000 -0.35757 129 6D+2 0.00000 0.00000 0.15326 0.00000 0.00000 130 6D-2 0.00000 0.19398 0.00000 0.63208 0.00000 131 7D 0 0.00000 0.00000 1.18042 0.00000 0.00000 132 7D+1 0.05446 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.00000 0.00000 0.00000 0.00000 0.40962 134 7D+2 0.00000 0.00000 0.78885 0.00000 0.00000 135 7D-2 0.00000 0.05886 0.00000 -0.47562 0.00000 136 6 C 1S 0.00000 0.00000 -0.00659 0.00000 -0.02284 137 2S 0.00000 0.00000 -0.00664 0.00000 -0.03273 138 2PX -0.03520 -0.11933 0.00000 -0.07236 0.00000 139 2PY 0.00000 0.00000 -0.12799 0.00000 0.33812 140 2PZ 0.00000 0.00000 -0.21455 0.00000 0.14480 141 3S 0.00000 0.00000 -0.15193 0.00000 -0.36562 142 3PX -0.01628 0.22641 0.00000 -0.00291 0.00000 143 3PY 0.00000 0.00000 0.01450 0.00000 -0.94351 144 3PZ 0.00000 0.00000 0.62511 0.00000 -0.20501 145 4S 0.00000 0.00000 -1.26747 0.00000 5.06207 146 4PX -0.16252 -0.09454 0.00000 -0.22121 0.00000 147 4PY 0.00000 0.00000 -1.82758 0.00000 1.51656 148 4PZ 0.00000 0.00000 0.83383 0.00000 -0.87547 149 5S 0.00000 0.00000 -15.84445 0.00000 -13.16619 150 5PX 0.12342 0.08420 0.00000 0.19092 0.00000 151 5PY 0.00000 0.00000 -3.50347 0.00000 -2.17127 152 5PZ 0.00000 0.00000 0.78405 0.00000 -0.31890 153 6D 0 0.00000 0.00000 -0.25211 0.00000 0.10163 154 6D+1 0.42678 -0.39244 0.00000 0.06853 0.00000 155 6D-1 0.00000 0.00000 -0.08491 0.00000 -0.10934 156 6D+2 0.00000 0.00000 0.02802 0.00000 0.16612 157 6D-2 -0.09756 0.12662 0.00000 -0.56180 0.00000 158 7D 0 0.00000 0.00000 0.93634 0.00000 -0.05675 159 7D+1 -0.17110 0.25648 0.00000 -0.15833 0.00000 160 7D-1 0.00000 0.00000 1.39919 0.00000 0.25013 161 7D+2 0.00000 0.00000 0.14903 0.00000 -1.27126 162 7D-2 0.16501 0.05389 0.00000 0.43741 0.00000 163 7 H 1S 0.00000 0.00000 0.35244 0.00000 -0.15536 164 2S 0.00000 0.00000 -0.18187 0.00000 -1.19607 165 3S 0.00000 0.00000 -0.58449 0.00000 0.80756 166 4PX 0.07068 0.01215 0.00000 0.14373 0.00000 167 4PY 0.00000 0.00000 -0.01471 0.00000 -0.30710 168 4PZ 0.00000 0.00000 0.00974 0.00000 0.44081 169 8 Mg 1S 0.00000 0.00000 0.04273 0.00000 0.00000 170 2S 0.00000 0.00000 0.15182 0.00000 0.00000 171 3S 0.00000 0.00000 -0.91977 0.00000 0.00000 172 4S 0.00000 0.00000 1.15633 0.00000 0.00000 173 5S 0.00000 0.00000 -1.45973 0.00000 0.00000 174 6S 0.00000 0.00000 -3.40352 0.00000 0.00000 175 7S 0.00000 0.00000 0.14024 0.00000 0.00000 176 7PX -0.01786 0.00000 0.00000 0.00000 0.00000 177 7PY 0.00000 0.00000 0.00000 0.00000 -0.03031 178 7PZ 0.00000 0.00000 -0.20403 0.00000 0.00000 179 8PX 0.00718 0.00000 0.00000 0.00000 0.00000 180 8PY 0.00000 0.00000 0.00000 0.00000 0.01733 181 8PZ 0.00000 0.00000 0.01679 0.00000 0.00000 182 9PX -0.00172 0.00000 0.00000 0.00000 0.00000 183 9PY 0.00000 0.00000 0.00000 0.00000 -0.00262 184 9PZ 0.00000 0.00000 -0.01849 0.00000 0.00000 185 10PX -0.03274 0.00000 0.00000 0.00000 0.00000 186 10PY 0.00000 0.00000 0.00000 0.00000 -0.11022 187 10PZ 0.00000 0.00000 0.18477 0.00000 0.00000 188 11PX 0.00563 0.00000 0.00000 0.00000 0.00000 189 11PY 0.00000 0.00000 0.00000 0.00000 0.25117 190 11PZ 0.00000 0.00000 0.43589 0.00000 0.00000 191 12PX 0.03241 0.00000 0.00000 0.00000 0.00000 192 12PY 0.00000 0.00000 0.00000 0.00000 0.21609 193 12PZ 0.00000 0.00000 2.53013 0.00000 0.00000 194 13D 0 0.00000 0.00000 -0.31060 0.00000 0.00000 195 13D+1 0.03327 0.00000 0.00000 0.00000 0.00000 196 13D-1 0.00000 0.00000 0.00000 0.00000 0.06664 197 13D+2 0.00000 0.00000 -0.00323 0.00000 0.00000 198 13D-2 0.00000 -0.01195 0.00000 0.01913 0.00000 199 14D 0 0.00000 0.00000 -0.86688 0.00000 0.00000 200 14D+1 -0.02516 0.00000 0.00000 0.00000 0.00000 201 14D-1 0.00000 0.00000 0.00000 0.00000 -0.16602 202 14D+2 0.00000 0.00000 -0.02069 0.00000 0.00000 203 14D-2 0.00000 0.02815 0.00000 0.02763 0.00000 204 9 Br 1S 0.00000 0.00000 0.00080 0.00000 0.00000 205 2S 0.00000 0.00000 0.00252 0.00000 0.00000 206 3S 0.00000 0.00000 -0.00632 0.00000 0.00000 207 4S 0.00000 0.00000 -0.01243 0.00000 0.00000 208 5S 0.00000 0.00000 0.03192 0.00000 0.00000 209 6S 0.00000 0.00000 0.01449 0.00000 0.00000 210 7S 0.00000 0.00000 -0.29175 0.00000 0.00000 211 8S 0.00000 0.00000 0.96245 0.00000 0.00000 212 9S 0.00000 0.00000 -1.05968 0.00000 0.00000 213 9PX 0.00309 0.00000 0.00000 0.00000 0.00000 214 9PY 0.00000 0.00000 0.00000 0.00000 -0.01090 215 9PZ 0.00000 0.00000 0.32492 0.00000 0.00000 216 10PX 0.00004 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00008 218 10PZ 0.00000 0.00000 0.00121 0.00000 0.00000 219 11PX 0.00037 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00000 0.00000 0.00066 221 11PZ 0.00000 0.00000 0.00965 0.00000 0.00000 222 12PX -0.00106 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00000 0.00000 0.00000 -0.00192 224 12PZ 0.00000 0.00000 -0.02533 0.00000 0.00000 225 13PX -0.00142 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 0.00000 0.00000 0.00000 -0.00219 227 13PZ 0.00000 0.00000 -0.07065 0.00000 0.00000 228 14PX 0.00620 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 0.00000 0.00000 0.00000 0.01042 230 14PZ 0.00000 0.00000 0.24216 0.00000 0.00000 231 15PX -0.00773 0.00000 0.00000 0.00000 0.00000 232 15PY 0.00000 0.00000 0.00000 0.00000 -0.01401 233 15PZ 0.00000 0.00000 -0.27869 0.00000 0.00000 234 16PX 0.01189 0.00000 0.00000 0.00000 0.00000 235 16PY 0.00000 0.00000 0.00000 0.00000 0.04335 236 16PZ 0.00000 0.00000 -0.38275 0.00000 0.00000 237 17D 0 0.00000 0.00000 -0.01266 0.00000 0.00000 238 17D+1 -0.00157 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00000 -0.00272 240 17D+2 0.00000 0.00000 0.00099 0.00000 0.00000 241 17D-2 0.00000 -0.00149 0.00000 -0.00189 0.00000 242 18D 0 0.00000 0.00000 0.02460 0.00000 0.00000 243 18D+1 0.00037 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00000 0.00000 0.00000 0.00050 245 18D+2 0.00000 0.00000 0.00011 0.00000 0.00000 246 18D-2 0.00000 -0.00010 0.00000 -0.00011 0.00000 247 19D 0 0.00000 0.00000 -0.02244 0.00000 0.00000 248 19D+1 0.00351 0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00000 0.00000 0.00000 0.00656 250 19D+2 0.00000 0.00000 -0.00293 0.00000 0.00000 251 19D-2 0.00000 0.00427 0.00000 0.00539 0.00000 252 20D 0 0.00000 0.00000 0.15766 0.00000 0.00000 253 20D+1 -0.00616 0.00000 0.00000 0.00000 0.00000 254 20D-1 0.00000 0.00000 0.00000 0.00000 -0.01550 255 20D+2 0.00000 0.00000 0.00471 0.00000 0.00000 256 20D-2 0.00000 -0.00678 0.00000 -0.00833 0.00000 257 10 H 1S 0.00000 0.00000 0.35244 0.00000 0.15536 258 2S 0.00000 0.00000 -0.18187 0.00000 1.19607 259 3S 0.00000 0.00000 -0.58449 0.00000 -0.80756 260 4PX 0.07068 -0.01215 0.00000 -0.14373 0.00000 261 4PY 0.00000 0.00000 0.01471 0.00000 -0.30710 262 4PZ 0.00000 0.00000 0.00974 0.00000 -0.44081 263 11 H 1S 0.00000 0.00000 -0.40825 0.00000 -0.05726 264 2S 0.00000 0.00000 -0.59060 0.00000 -1.38054 265 3S 0.00000 0.00000 1.17604 0.00000 0.75270 266 4PX 0.03806 0.13203 0.00000 0.05800 0.00000 267 4PY 0.00000 0.00000 0.42784 0.00000 0.35851 268 4PZ 0.00000 0.00000 0.11159 0.00000 -0.35963 269 12 H 1S 0.00000 0.00000 0.33839 0.00000 0.00000 270 2S 0.00000 0.00000 1.58852 0.00000 0.00000 271 3S 0.00000 0.00000 -1.36854 0.00000 0.00000 272 4PX -0.17295 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 0.00000 0.00000 0.34796 274 4PZ 0.00000 0.00000 0.60770 0.00000 0.00000 275 13 H 1S 0.00000 0.00000 -0.40825 0.00000 0.05726 276 2S 0.00000 0.00000 -0.59060 0.00000 1.38054 277 3S 0.00000 0.00000 1.17604 0.00000 -0.75270 278 4PX 0.03806 -0.13203 0.00000 -0.05800 0.00000 279 4PY 0.00000 0.00000 -0.42784 0.00000 0.35851 280 4PZ 0.00000 0.00000 0.11159 0.00000 0.35963 226 227 228 229 230 (B1)--V (A1)--V (A1)--V (B2)--V (A1)--V Eigenvalues -- 3.38927 3.38959 3.43555 3.44410 3.46995 1 1 C 1S 0.00000 -0.01226 0.00525 -0.00222 -0.00410 2 2S 0.00000 -0.03055 0.01210 -0.01648 -0.00231 3 2PX 0.01971 0.00000 0.00000 0.00000 0.00000 4 2PY 0.00000 0.29365 0.04380 0.38998 -0.12732 5 2PZ 0.00000 0.23453 0.41335 0.13988 -0.31629 6 3S 0.00000 0.38119 -0.28532 0.35331 -0.23936 7 3PX -0.09385 0.00000 0.00000 0.00000 0.00000 8 3PY 0.00000 -0.35627 -0.25357 -0.33192 0.21874 9 3PZ 0.00000 -0.45319 -0.61673 -0.34686 0.25238 10 4S 0.00000 0.35321 -0.71486 1.78614 0.34851 11 4PX -0.01386 0.00000 0.00000 0.00000 0.00000 12 4PY 0.00000 -0.49815 1.02534 2.68858 -1.16219 13 4PZ 0.00000 -0.08366 0.10428 1.69491 0.13758 14 5S 0.00000 -4.94236 7.18694 4.31994 -3.30474 15 5PX -0.01241 0.00000 0.00000 0.00000 0.00000 16 5PY 0.00000 -0.72758 0.51216 1.73224 -1.19288 17 5PZ 0.00000 -0.60806 1.86772 0.19641 -0.07812 18 6D 0 0.00000 -0.12010 0.16108 0.01815 -0.46359 19 6D+1 -0.22097 0.00000 0.00000 0.00000 0.00000 20 6D-1 0.00000 -0.27550 -0.05043 -0.28067 -0.04801 21 6D+2 0.00000 0.08557 0.15312 -0.13841 -0.17407 22 6D-2 -0.10521 0.00000 0.00000 0.00000 0.00000 23 7D 0 0.00000 0.55999 -0.77311 -0.17327 1.09961 24 7D+1 0.04721 0.00000 0.00000 0.00000 0.00000 25 7D-1 0.00000 0.05344 0.72174 0.90256 0.31034 26 7D+2 0.00000 0.14364 -0.54940 0.15448 0.25241 27 7D-2 0.17409 0.00000 0.00000 0.00000 0.00000 28 2 C 1S 0.00000 -0.00100 0.00540 0.00000 0.00038 29 2S 0.00000 -0.01581 0.01429 0.00000 -0.01325 30 2PX 0.11401 0.00000 0.00000 0.00000 0.00000 31 2PY 0.00000 0.00000 0.00000 -0.36262 0.00000 32 2PZ 0.00000 0.40304 -0.52165 0.00000 0.05122 33 3S 0.00000 0.54509 0.04956 0.00000 0.54774 34 3PX -0.21631 0.00000 0.00000 0.00000 0.00000 35 3PY 0.00000 0.00000 0.00000 0.13388 0.00000 36 3PZ 0.00000 -0.34144 0.96264 0.00000 0.29524 37 4S 0.00000 -0.95549 -1.45566 0.00000 0.67116 38 4PX 0.08598 0.00000 0.00000 0.00000 0.00000 39 4PY 0.00000 0.00000 0.00000 0.46124 0.00000 40 4PZ 0.00000 0.71091 -2.73680 0.00000 2.05270 41 5S 0.00000 5.22790 -3.24390 0.00000 6.97470 42 5PX -0.01064 0.00000 0.00000 0.00000 0.00000 43 5PY 0.00000 0.00000 0.00000 0.52612 0.00000 44 5PZ 0.00000 1.26853 -1.56962 0.00000 1.48905 45 6D 0 0.00000 -0.28496 0.21542 0.00000 0.10772 46 6D+1 -0.26763 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00000 0.00000 -0.46101 0.00000 48 6D+2 0.00000 -0.13459 0.15244 0.00000 -0.17881 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00000 0.67658 -1.50519 0.00000 -0.12514 51 7D+1 0.10427 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.00000 0.00000 1.06454 0.00000 53 7D+2 0.00000 0.82613 -0.58993 0.00000 0.56238 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.00000 -0.01226 0.00525 0.00222 -0.00410 56 2S 0.00000 -0.03055 0.01210 0.01648 -0.00231 57 2PX 0.01971 0.00000 0.00000 0.00000 0.00000 58 2PY 0.00000 -0.29365 -0.04380 0.38998 0.12732 59 2PZ 0.00000 0.23453 0.41335 -0.13988 -0.31629 60 3S 0.00000 0.38119 -0.28532 -0.35331 -0.23936 61 3PX -0.09385 0.00000 0.00000 0.00000 0.00000 62 3PY 0.00000 0.35627 0.25357 -0.33192 -0.21874 63 3PZ 0.00000 -0.45319 -0.61673 0.34686 0.25238 64 4S 0.00000 0.35321 -0.71486 -1.78614 0.34851 65 4PX -0.01386 0.00000 0.00000 0.00000 0.00000 66 4PY 0.00000 0.49815 -1.02534 2.68858 1.16219 67 4PZ 0.00000 -0.08366 0.10428 -1.69491 0.13758 68 5S 0.00000 -4.94236 7.18694 -4.31994 -3.30474 69 5PX -0.01241 0.00000 0.00000 0.00000 0.00000 70 5PY 0.00000 0.72758 -0.51216 1.73224 1.19288 71 5PZ 0.00000 -0.60806 1.86772 -0.19641 -0.07812 72 6D 0 0.00000 -0.12010 0.16108 -0.01815 -0.46359 73 6D+1 -0.22097 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.27550 0.05043 -0.28067 0.04801 75 6D+2 0.00000 0.08557 0.15312 0.13841 -0.17407 76 6D-2 0.10521 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.00000 0.55999 -0.77311 0.17327 1.09961 78 7D+1 0.04721 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.00000 -0.05344 -0.72174 0.90256 -0.31034 80 7D+2 0.00000 0.14364 -0.54940 -0.15448 0.25241 81 7D-2 -0.17409 0.00000 0.00000 0.00000 0.00000 82 4 C 1S 0.00000 -0.00870 -0.00750 0.00638 0.00228 83 2S 0.00000 -0.02075 -0.01567 0.00439 0.01731 84 2PX -0.10153 0.00000 0.00000 0.00000 0.00000 85 2PY 0.00000 -0.32593 -0.03595 -0.37909 0.28502 86 2PZ 0.00000 -0.30420 -0.27388 0.03412 -0.03270 87 3S 0.00000 0.07861 0.13769 0.13152 -0.45695 88 3PX 0.20009 0.00000 0.00000 0.00000 0.00000 89 3PY 0.00000 0.45365 0.11082 0.32580 -0.57721 90 3PZ 0.00000 0.73545 0.18300 0.06574 0.64601 91 4S 0.00000 0.46322 3.15871 0.94079 0.05739 92 4PX -0.30256 0.00000 0.00000 0.00000 0.00000 93 4PY 0.00000 -0.19816 -1.30950 -2.30676 0.81186 94 4PZ 0.00000 -0.01871 -1.17870 -1.74009 0.78355 95 5S 0.00000 2.41673 -5.10787 9.53673 -1.68540 96 5PX 0.08538 0.00000 0.00000 0.00000 0.00000 97 5PY 0.00000 -0.21322 -0.16966 -2.62845 0.18040 98 5PZ 0.00000 -0.62358 1.39386 0.77329 0.86280 99 6D 0 0.00000 -0.06785 0.13815 -0.04026 -0.26221 100 6D+1 0.21959 0.00000 0.00000 0.00000 0.00000 101 6D-1 0.00000 -0.29700 -0.00272 -0.34401 -0.00333 102 6D+2 0.00000 0.16240 -0.01671 -0.12946 -0.07990 103 6D-2 -0.53575 0.00000 0.00000 0.00000 0.00000 104 7D 0 0.00000 0.01489 0.33769 0.02835 0.81410 105 7D+1 -0.28351 0.00000 0.00000 0.00000 0.00000 106 7D-1 0.00000 0.67539 -0.37276 0.90794 -0.33320 107 7D+2 0.00000 -0.30890 0.05704 0.37253 0.12514 108 7D-2 0.35111 0.00000 0.00000 0.00000 0.00000 109 5 C 1S 0.00000 -0.00519 -0.00528 0.00000 0.00741 110 2S 0.00000 -0.02483 -0.01323 0.00000 0.00845 111 2PX 0.25291 0.00000 0.00000 0.00000 0.00000 112 2PY 0.00000 0.00000 0.00000 0.27088 0.00000 113 2PZ 0.00000 -0.49529 0.37039 0.00000 -0.03198 114 3S 0.00000 0.65244 0.45746 0.00000 0.35087 115 3PX -0.28480 0.00000 0.00000 0.00000 0.00000 116 3PY 0.00000 0.00000 0.00000 0.13167 0.00000 117 3PZ 0.00000 0.74760 -0.59957 0.00000 0.23087 118 4S 0.00000 -1.75193 -5.26257 0.00000 -2.88031 119 4PX 0.87646 0.00000 0.00000 0.00000 0.00000 120 4PY 0.00000 0.00000 0.00000 0.19163 0.00000 121 4PZ 0.00000 -0.27606 1.78856 0.00000 -2.88683 122 5S 0.00000 -1.21126 -2.37026 0.00000 -1.98424 123 5PX -0.10953 0.00000 0.00000 0.00000 0.00000 124 5PY 0.00000 0.00000 0.00000 -3.92760 0.00000 125 5PZ 0.00000 -0.10206 0.07821 0.00000 -3.94644 126 6D 0 0.00000 -0.23647 0.12622 0.00000 -0.01558 127 6D+1 -0.67692 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00000 0.00000 -0.45904 0.00000 129 6D+2 0.00000 -0.15379 0.10400 0.00000 -0.17844 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00000 0.02849 -0.04121 0.00000 0.35363 132 7D+1 0.45975 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.00000 0.00000 0.00000 0.64968 0.00000 134 7D+2 0.00000 0.45306 0.33223 0.00000 0.94422 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S 0.00000 -0.00870 -0.00750 -0.00638 0.00228 137 2S 0.00000 -0.02075 -0.01567 -0.00439 0.01731 138 2PX -0.10153 0.00000 0.00000 0.00000 0.00000 139 2PY 0.00000 0.32593 0.03595 -0.37909 -0.28502 140 2PZ 0.00000 -0.30420 -0.27388 -0.03412 -0.03270 141 3S 0.00000 0.07861 0.13769 -0.13152 -0.45695 142 3PX 0.20009 0.00000 0.00000 0.00000 0.00000 143 3PY 0.00000 -0.45365 -0.11082 0.32580 0.57721 144 3PZ 0.00000 0.73545 0.18300 -0.06574 0.64601 145 4S 0.00000 0.46322 3.15871 -0.94079 0.05739 146 4PX -0.30256 0.00000 0.00000 0.00000 0.00000 147 4PY 0.00000 0.19816 1.30950 -2.30676 -0.81186 148 4PZ 0.00000 -0.01871 -1.17870 1.74009 0.78355 149 5S 0.00000 2.41673 -5.10787 -9.53673 -1.68540 150 5PX 0.08538 0.00000 0.00000 0.00000 0.00000 151 5PY 0.00000 0.21322 0.16966 -2.62845 -0.18040 152 5PZ 0.00000 -0.62358 1.39386 -0.77329 0.86280 153 6D 0 0.00000 -0.06785 0.13815 0.04026 -0.26221 154 6D+1 0.21959 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00000 0.29700 0.00272 -0.34401 0.00333 156 6D+2 0.00000 0.16240 -0.01671 0.12946 -0.07990 157 6D-2 0.53575 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.00000 0.01489 0.33769 -0.02835 0.81410 159 7D+1 -0.28351 0.00000 0.00000 0.00000 0.00000 160 7D-1 0.00000 -0.67539 0.37276 0.90794 0.33320 161 7D+2 0.00000 -0.30890 0.05704 -0.37253 0.12514 162 7D-2 -0.35111 0.00000 0.00000 0.00000 0.00000 163 7 H 1S 0.00000 -0.18553 -0.09227 0.28917 0.19665 164 2S 0.00000 -0.65213 0.44323 -0.77521 -0.19421 165 3S 0.00000 0.27420 0.30738 -0.95179 -0.48656 166 4PX 0.01352 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00000 -0.15116 -0.01396 0.00677 -0.05886 168 4PZ 0.00000 -0.02065 -0.04406 0.13209 -0.14673 169 8 Mg 1S 0.00000 -0.01482 -0.05921 0.00000 -0.05692 170 2S 0.00000 -0.05191 -0.21047 0.00000 -0.20255 171 3S 0.00000 0.30968 1.28596 0.00000 1.24392 172 4S 0.00000 -0.36342 -1.60073 0.00000 -1.58173 173 5S 0.00000 0.37052 0.95475 0.00000 2.66439 174 6S 0.00000 1.31620 2.03235 0.00000 5.52024 175 7S 0.00000 0.00173 -0.07840 0.00000 -0.24750 176 7PX -0.02278 0.00000 0.00000 0.00000 0.00000 177 7PY 0.00000 0.00000 0.00000 0.02444 0.00000 178 7PZ 0.00000 -0.00627 0.11822 0.00000 0.18403 179 8PX 0.01483 0.00000 0.00000 0.00000 0.00000 180 8PY 0.00000 0.00000 0.00000 0.01565 0.00000 181 8PZ 0.00000 -0.00656 0.00744 0.00000 0.03676 182 9PX -0.00094 0.00000 0.00000 0.00000 0.00000 183 9PY 0.00000 0.00000 0.00000 0.00085 0.00000 184 9PZ 0.00000 -0.00576 -0.00208 0.00000 -0.00978 185 10PX -0.06729 0.00000 0.00000 0.00000 0.00000 186 10PY 0.00000 0.00000 0.00000 -0.14130 0.00000 187 10PZ 0.00000 0.03472 0.10831 0.00000 -0.31704 188 11PX -0.15179 0.00000 0.00000 0.00000 0.00000 189 11PY 0.00000 0.00000 0.00000 0.20482 0.00000 190 11PZ 0.00000 -0.48333 0.02535 0.00000 -1.38721 191 12PX 0.07231 0.00000 0.00000 0.00000 0.00000 192 12PY 0.00000 0.00000 0.00000 0.24201 0.00000 193 12PZ 0.00000 -0.10597 -1.01972 0.00000 -1.88691 194 13D 0 0.00000 -0.02035 0.27759 0.00000 0.31579 195 13D+1 0.13150 0.00000 0.00000 0.00000 0.00000 196 13D-1 0.00000 0.00000 0.00000 0.10439 0.00000 197 13D+2 0.00000 -0.02290 -0.01953 0.00000 -0.02691 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00000 0.42644 1.32555 0.00000 1.56453 200 14D+1 0.31452 0.00000 0.00000 0.00000 0.00000 201 14D-1 0.00000 0.00000 0.00000 -0.08507 0.00000 202 14D+2 0.00000 -0.00526 -0.00862 0.00000 0.05727 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 -0.00017 -0.00146 0.00000 -0.00117 205 2S 0.00000 -0.00053 -0.00458 0.00000 -0.00366 206 3S 0.00000 0.00126 0.01107 0.00000 0.00882 207 4S 0.00000 0.00291 0.02469 0.00000 0.01983 208 5S 0.00000 -0.00781 -0.06578 0.00000 -0.05297 209 6S 0.00000 -0.00070 -0.01076 0.00000 -0.00787 210 7S 0.00000 0.05091 0.45951 0.00000 0.36645 211 8S 0.00000 -0.24373 -1.56300 0.00000 -1.33112 212 9S 0.00000 -0.28261 0.03784 0.00000 0.10945 213 9PX -0.00795 0.00000 0.00000 0.00000 0.00000 214 9PY 0.00000 0.00000 0.00000 -0.05240 0.00000 215 9PZ 0.00000 0.11549 -0.03686 0.00000 0.00735 216 10PX -0.00003 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00012 0.00000 218 10PZ 0.00000 -0.00012 -0.00207 0.00000 -0.00143 219 11PX -0.00022 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00000 0.00100 0.00000 221 11PZ 0.00000 -0.00092 -0.01676 0.00000 -0.01155 222 12PX 0.00032 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00000 0.00000 -0.00302 0.00000 224 12PZ 0.00000 0.00219 0.04615 0.00000 0.03116 225 13PX 0.00569 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 0.00000 0.00000 -0.00205 0.00000 227 13PZ 0.00000 0.00993 0.09710 0.00000 0.07675 228 14PX -0.01743 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 0.00000 0.00000 0.01274 0.00000 230 14PZ 0.00000 -0.03132 -0.36848 0.00000 -0.27857 231 15PX 0.04488 0.00000 0.00000 0.00000 0.00000 232 15PY 0.00000 0.00000 0.00000 -0.01323 0.00000 233 15PZ 0.00000 0.04438 0.44311 0.00000 0.34141 234 16PX -0.17902 0.00000 0.00000 0.00000 0.00000 235 16PY 0.00000 0.00000 0.00000 0.01249 0.00000 236 16PZ 0.00000 0.06238 0.60733 0.00000 0.45896 237 17D 0 0.00000 0.00447 0.01326 0.00000 0.01808 238 17D+1 0.01763 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00216 0.00000 240 17D+2 0.00000 0.00037 0.00186 0.00000 -0.00196 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 -0.00254 -0.03634 0.00000 -0.03096 243 18D+1 0.00459 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00000 0.00000 0.00147 0.00000 245 18D+2 0.00000 -0.00001 -0.00032 0.00000 0.00029 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 -0.00665 0.04636 0.00000 0.01955 248 19D+1 -0.05957 0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00000 0.00000 -0.00932 0.00000 250 19D+2 0.00000 -0.00101 -0.00460 0.00000 0.00501 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00000 -0.00150 -0.25134 0.00000 -0.16213 253 20D+1 0.11581 0.00000 0.00000 0.00000 0.00000 254 20D-1 0.00000 0.00000 0.00000 0.01526 0.00000 255 20D+2 0.00000 0.00145 0.00727 0.00000 -0.00931 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.00000 -0.18553 -0.09227 -0.28917 0.19665 258 2S 0.00000 -0.65213 0.44323 0.77521 -0.19421 259 3S 0.00000 0.27420 0.30738 0.95179 -0.48656 260 4PX 0.01352 0.00000 0.00000 0.00000 0.00000 261 4PY 0.00000 0.15116 0.01396 0.00677 0.05886 262 4PZ 0.00000 -0.02065 -0.04406 -0.13209 -0.14673 263 11 H 1S 0.00000 -0.03171 -0.24930 0.35574 0.19337 264 2S 0.00000 -0.25821 -0.33201 -0.54606 -0.53436 265 3S 0.00000 -0.08192 0.51520 -1.09073 -0.31392 266 4PX 0.06247 0.00000 0.00000 0.00000 0.00000 267 4PY 0.00000 0.05106 0.12075 -0.10877 0.19334 268 4PZ 0.00000 0.11570 -0.11310 -0.02287 0.10609 269 12 H 1S 0.00000 -0.28913 0.45312 0.00000 -0.09756 270 2S 0.00000 0.22953 0.53039 0.00000 0.96854 271 3S 0.00000 0.34114 -1.36432 0.00000 0.52196 272 4PX 0.01028 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 0.00000 0.17336 0.00000 274 4PZ 0.00000 0.10162 0.36282 0.00000 0.06943 275 13 H 1S 0.00000 -0.03171 -0.24930 -0.35574 0.19337 276 2S 0.00000 -0.25821 -0.33201 0.54606 -0.53436 277 3S 0.00000 -0.08192 0.51520 1.09073 -0.31392 278 4PX 0.06247 0.00000 0.00000 0.00000 0.00000 279 4PY 0.00000 -0.05106 -0.12075 -0.10877 -0.19334 280 4PZ 0.00000 0.11570 -0.11310 0.02287 0.10609 231 232 233 234 235 (A1)--V (A2)--V (B2)--V (B1)--V (A2)--V Eigenvalues -- 3.53571 3.56923 3.57192 3.58125 3.59710 1 1 C 1S -0.00509 0.00000 -0.03035 0.00000 0.00000 2 2S -0.00796 0.00000 -0.07392 0.00000 0.00000 3 2PX 0.00000 0.09595 0.00000 -0.05334 -0.02763 4 2PY -0.67149 0.00000 -0.00344 0.00000 0.00000 5 2PZ 0.33327 0.00000 0.40909 0.00000 0.00000 6 3S 0.14411 0.00000 0.69874 0.00000 0.00000 7 3PX 0.00000 -0.11453 0.00000 0.05721 -0.06278 8 3PY 1.43325 0.00000 0.14003 0.00000 0.00000 9 3PZ -0.59259 0.00000 -0.84112 0.00000 0.00000 10 4S 1.80129 0.00000 2.67387 0.00000 0.00000 11 4PX 0.00000 0.60820 0.00000 -0.46702 -0.28815 12 4PY -0.28460 0.00000 1.20252 0.00000 0.00000 13 4PZ -0.94281 0.00000 -0.79279 0.00000 0.00000 14 5S -8.91166 0.00000 -4.85319 0.00000 0.00000 15 5PX 0.00000 -0.21518 0.00000 0.17603 0.05451 16 5PY -2.07781 0.00000 -0.39180 0.00000 0.00000 17 5PZ -0.26224 0.00000 0.29785 0.00000 0.00000 18 6D 0 -0.06584 0.00000 0.11575 0.00000 0.00000 19 6D+1 0.00000 -0.39408 0.00000 -0.08188 -0.15723 20 6D-1 0.27775 0.00000 0.13932 0.00000 0.00000 21 6D+2 -0.08999 0.00000 0.00942 0.00000 0.00000 22 6D-2 0.00000 -0.38664 0.00000 0.45576 0.33694 23 7D 0 0.66993 0.00000 -0.37256 0.00000 0.00000 24 7D+1 0.00000 0.38401 0.00000 0.04017 0.17860 25 7D-1 -1.83150 0.00000 -0.22356 0.00000 0.00000 26 7D+2 0.38159 0.00000 -0.61761 0.00000 0.00000 27 7D-2 0.00000 0.40920 0.00000 -0.49062 -0.26056 28 2 C 1S 0.03790 0.00000 0.00000 0.00000 0.00000 29 2S 0.08614 0.00000 0.00000 0.00000 0.00000 30 2PX 0.00000 0.00000 0.00000 0.10442 0.00000 31 2PY 0.00000 0.00000 -0.65798 0.00000 0.00000 32 2PZ -0.20628 0.00000 0.00000 0.00000 0.00000 33 3S -0.64796 0.00000 0.00000 0.00000 0.00000 34 3PX 0.00000 0.00000 0.00000 -0.08593 0.00000 35 3PY 0.00000 0.00000 1.62678 0.00000 0.00000 36 3PZ 0.32713 0.00000 0.00000 0.00000 0.00000 37 4S -5.06435 0.00000 0.00000 0.00000 0.00000 38 4PX 0.00000 0.00000 0.00000 0.87198 0.00000 39 4PY 0.00000 0.00000 2.30306 0.00000 0.00000 40 4PZ -0.85417 0.00000 0.00000 0.00000 0.00000 41 5S 12.52892 0.00000 0.00000 0.00000 0.00000 42 5PX 0.00000 0.00000 0.00000 -0.30272 0.00000 43 5PY 0.00000 0.00000 -1.72243 0.00000 0.00000 44 5PZ 2.27445 0.00000 0.00000 0.00000 0.00000 45 6D 0 -0.06080 0.00000 0.00000 0.00000 0.00000 46 6D+1 0.00000 0.00000 0.00000 -0.69321 0.00000 47 6D-1 0.00000 0.00000 -0.22226 0.00000 0.00000 48 6D+2 0.01775 0.00000 0.00000 0.00000 0.00000 49 6D-2 0.00000 -0.22463 0.00000 0.00000 0.65232 50 7D 0 0.84704 0.00000 0.00000 0.00000 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.73853 0.00000 52 7D-1 0.00000 0.00000 1.12171 0.00000 0.00000 53 7D+2 1.23997 0.00000 0.00000 0.00000 0.00000 54 7D-2 0.00000 0.19887 0.00000 0.00000 -0.62161 55 3 C 1S -0.00509 0.00000 0.03035 0.00000 0.00000 56 2S -0.00796 0.00000 0.07392 0.00000 0.00000 57 2PX 0.00000 -0.09595 0.00000 -0.05334 0.02763 58 2PY 0.67149 0.00000 -0.00344 0.00000 0.00000 59 2PZ 0.33327 0.00000 -0.40909 0.00000 0.00000 60 3S 0.14411 0.00000 -0.69874 0.00000 0.00000 61 3PX 0.00000 0.11453 0.00000 0.05721 0.06278 62 3PY -1.43325 0.00000 0.14003 0.00000 0.00000 63 3PZ -0.59259 0.00000 0.84112 0.00000 0.00000 64 4S 1.80129 0.00000 -2.67387 0.00000 0.00000 65 4PX 0.00000 -0.60820 0.00000 -0.46702 0.28815 66 4PY 0.28460 0.00000 1.20252 0.00000 0.00000 67 4PZ -0.94281 0.00000 0.79279 0.00000 0.00000 68 5S -8.91166 0.00000 4.85319 0.00000 0.00000 69 5PX 0.00000 0.21518 0.00000 0.17603 -0.05451 70 5PY 2.07781 0.00000 -0.39180 0.00000 0.00000 71 5PZ -0.26224 0.00000 -0.29785 0.00000 0.00000 72 6D 0 -0.06584 0.00000 -0.11575 0.00000 0.00000 73 6D+1 0.00000 0.39408 0.00000 -0.08188 0.15723 74 6D-1 -0.27775 0.00000 0.13932 0.00000 0.00000 75 6D+2 -0.08999 0.00000 -0.00942 0.00000 0.00000 76 6D-2 0.00000 -0.38664 0.00000 -0.45576 0.33694 77 7D 0 0.66993 0.00000 0.37256 0.00000 0.00000 78 7D+1 0.00000 -0.38401 0.00000 0.04017 -0.17860 79 7D-1 1.83150 0.00000 -0.22356 0.00000 0.00000 80 7D+2 0.38159 0.00000 0.61761 0.00000 0.00000 81 7D-2 0.00000 0.40920 0.00000 0.49062 -0.26056 82 4 C 1S -0.01292 0.00000 0.02901 0.00000 0.00000 83 2S -0.02797 0.00000 0.07178 0.00000 0.00000 84 2PX 0.00000 0.09809 0.00000 -0.05065 0.01777 85 2PY -0.13411 0.00000 0.10733 0.00000 0.00000 86 2PZ -0.22335 0.00000 0.44410 0.00000 0.00000 87 3S -0.14406 0.00000 -0.69283 0.00000 0.00000 88 3PX 0.00000 -0.10358 0.00000 0.04864 0.06749 89 3PY 0.23421 0.00000 -0.07626 0.00000 0.00000 90 3PZ 0.70112 0.00000 -0.93916 0.00000 0.00000 91 4S 3.06094 0.00000 -2.68247 0.00000 0.00000 92 4PX 0.00000 0.64651 0.00000 -0.20259 0.20787 93 4PY -1.95778 0.00000 1.40897 0.00000 0.00000 94 4PZ -0.24841 0.00000 0.03058 0.00000 0.00000 95 5S 3.80913 0.00000 4.88963 0.00000 0.00000 96 5PX 0.00000 -0.23139 0.00000 0.04694 -0.06469 97 5PY -0.98357 0.00000 -1.15197 0.00000 0.00000 98 5PZ -1.00075 0.00000 2.07764 0.00000 0.00000 99 6D 0 -0.03890 0.00000 -0.12989 0.00000 0.00000 100 6D+1 0.00000 0.36851 0.00000 -0.01589 -0.23369 101 6D-1 -0.09981 0.00000 -0.05067 0.00000 0.00000 102 6D+2 0.05204 0.00000 0.03952 0.00000 0.00000 103 6D-2 0.00000 0.42404 0.00000 -0.24603 0.28057 104 7D 0 -0.14423 0.00000 0.40100 0.00000 0.00000 105 7D+1 0.00000 -0.35053 0.00000 0.01315 0.27457 106 7D-1 1.14887 0.00000 -0.04603 0.00000 0.00000 107 7D+2 -0.76556 0.00000 0.54375 0.00000 0.00000 108 7D-2 0.00000 -0.43887 0.00000 0.21510 -0.21595 109 5 C 1S -0.00294 0.00000 0.00000 0.00000 0.00000 110 2S -0.01400 0.00000 0.00000 0.00000 0.00000 111 2PX 0.00000 0.00000 0.00000 0.07158 0.00000 112 2PY 0.00000 0.00000 -0.67812 0.00000 0.00000 113 2PZ -0.39219 0.00000 0.00000 0.00000 0.00000 114 3S 0.58301 0.00000 0.00000 0.00000 0.00000 115 3PX 0.00000 0.00000 0.00000 -0.08748 0.00000 116 3PY 0.00000 0.00000 1.45387 0.00000 0.00000 117 3PZ 0.94013 0.00000 0.00000 0.00000 0.00000 118 4S -4.93576 0.00000 0.00000 0.00000 0.00000 119 4PX 0.00000 0.00000 0.00000 0.43824 0.00000 120 4PY 0.00000 0.00000 1.61647 0.00000 0.00000 121 4PZ 1.07965 0.00000 0.00000 0.00000 0.00000 122 5S -5.11124 0.00000 0.00000 0.00000 0.00000 123 5PX 0.00000 0.00000 0.00000 -0.13559 0.00000 124 5PY 0.00000 0.00000 -3.73651 0.00000 0.00000 125 5PZ 0.30915 0.00000 0.00000 0.00000 0.00000 126 6D 0 0.29221 0.00000 0.00000 0.00000 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.61348 0.00000 128 6D-1 0.00000 0.00000 0.33266 0.00000 0.00000 129 6D+2 -0.20262 0.00000 0.00000 0.00000 0.00000 130 6D-2 0.00000 0.32740 0.00000 0.00000 0.66167 131 7D 0 -0.76997 0.00000 0.00000 0.00000 0.00000 132 7D+1 0.00000 0.00000 0.00000 -0.53910 0.00000 133 7D-1 0.00000 0.00000 -1.20093 0.00000 0.00000 134 7D+2 0.29318 0.00000 0.00000 0.00000 0.00000 135 7D-2 0.00000 -0.29501 0.00000 0.00000 -0.64386 136 6 C 1S -0.01292 0.00000 -0.02901 0.00000 0.00000 137 2S -0.02797 0.00000 -0.07178 0.00000 0.00000 138 2PX 0.00000 -0.09809 0.00000 -0.05065 -0.01777 139 2PY 0.13411 0.00000 0.10733 0.00000 0.00000 140 2PZ -0.22335 0.00000 -0.44410 0.00000 0.00000 141 3S -0.14406 0.00000 0.69283 0.00000 0.00000 142 3PX 0.00000 0.10358 0.00000 0.04864 -0.06749 143 3PY -0.23421 0.00000 -0.07626 0.00000 0.00000 144 3PZ 0.70112 0.00000 0.93916 0.00000 0.00000 145 4S 3.06094 0.00000 2.68247 0.00000 0.00000 146 4PX 0.00000 -0.64651 0.00000 -0.20259 -0.20787 147 4PY 1.95778 0.00000 1.40897 0.00000 0.00000 148 4PZ -0.24841 0.00000 -0.03058 0.00000 0.00000 149 5S 3.80913 0.00000 -4.88963 0.00000 0.00000 150 5PX 0.00000 0.23139 0.00000 0.04694 0.06469 151 5PY 0.98357 0.00000 -1.15197 0.00000 0.00000 152 5PZ -1.00075 0.00000 -2.07764 0.00000 0.00000 153 6D 0 -0.03890 0.00000 0.12989 0.00000 0.00000 154 6D+1 0.00000 -0.36851 0.00000 -0.01589 0.23369 155 6D-1 0.09981 0.00000 -0.05067 0.00000 0.00000 156 6D+2 0.05204 0.00000 -0.03952 0.00000 0.00000 157 6D-2 0.00000 0.42404 0.00000 0.24603 0.28057 158 7D 0 -0.14423 0.00000 -0.40100 0.00000 0.00000 159 7D+1 0.00000 0.35053 0.00000 0.01315 -0.27457 160 7D-1 -1.14887 0.00000 -0.04603 0.00000 0.00000 161 7D+2 -0.76556 0.00000 -0.54375 0.00000 0.00000 162 7D-2 0.00000 -0.43887 0.00000 -0.21510 -0.21595 163 7 H 1S -0.13856 0.00000 -0.07867 0.00000 0.00000 164 2S -1.33184 0.00000 -0.79317 0.00000 0.00000 165 3S 1.14176 0.00000 0.74779 0.00000 0.00000 166 4PX 0.00000 -0.07322 0.00000 -0.02452 0.03528 167 4PY -0.46926 0.00000 -0.38285 0.00000 0.00000 168 4PZ 0.16137 0.00000 0.23834 0.00000 0.00000 169 8 Mg 1S 0.00779 0.00000 0.00000 0.00000 0.00000 170 2S 0.02698 0.00000 0.00000 0.00000 0.00000 171 3S -0.15774 0.00000 0.00000 0.00000 0.00000 172 4S 0.14205 0.00000 0.00000 0.00000 0.00000 173 5S 0.27964 0.00000 0.00000 0.00000 0.00000 174 6S 1.27385 0.00000 0.00000 0.00000 0.00000 175 7S -0.05710 0.00000 0.00000 0.00000 0.00000 176 7PX 0.00000 0.00000 0.00000 -0.01150 0.00000 177 7PY 0.00000 0.00000 -0.04692 0.00000 0.00000 178 7PZ 0.09026 0.00000 0.00000 0.00000 0.00000 179 8PX 0.00000 0.00000 0.00000 -0.01600 0.00000 180 8PY 0.00000 0.00000 -0.01290 0.00000 0.00000 181 8PZ -0.01205 0.00000 0.00000 0.00000 0.00000 182 9PX 0.00000 0.00000 0.00000 0.00382 0.00000 183 9PY 0.00000 0.00000 -0.00207 0.00000 0.00000 184 9PZ 0.02294 0.00000 0.00000 0.00000 0.00000 185 10PX 0.00000 0.00000 0.00000 0.05979 0.00000 186 10PY 0.00000 0.00000 0.09051 0.00000 0.00000 187 10PZ -0.32580 0.00000 0.00000 0.00000 0.00000 188 11PX 0.00000 0.00000 0.00000 -0.02943 0.00000 189 11PY 0.00000 0.00000 -0.05565 0.00000 0.00000 190 11PZ -0.20851 0.00000 0.00000 0.00000 0.00000 191 12PX 0.00000 0.00000 0.00000 0.01783 0.00000 192 12PY 0.00000 0.00000 -0.01147 0.00000 0.00000 193 12PZ -1.78979 0.00000 0.00000 0.00000 0.00000 194 13D 0 0.09987 0.00000 0.00000 0.00000 0.00000 195 13D+1 0.00000 0.00000 0.00000 -0.08831 0.00000 196 13D-1 0.00000 0.00000 -0.12271 0.00000 0.00000 197 13D+2 -0.00372 0.00000 0.00000 0.00000 0.00000 198 13D-2 0.00000 0.00432 0.00000 0.00000 0.02632 199 14D 0 0.27432 0.00000 0.00000 0.00000 0.00000 200 14D+1 0.00000 0.00000 0.00000 0.00976 0.00000 201 14D-1 0.00000 0.00000 0.11890 0.00000 0.00000 202 14D+2 0.01677 0.00000 0.00000 0.00000 0.00000 203 14D-2 0.00000 0.02151 0.00000 0.00000 0.01521 204 9 Br 1S 0.00005 0.00000 0.00000 0.00000 0.00000 205 2S 0.00015 0.00000 0.00000 0.00000 0.00000 206 3S -0.00034 0.00000 0.00000 0.00000 0.00000 207 4S -0.00094 0.00000 0.00000 0.00000 0.00000 208 5S 0.00264 0.00000 0.00000 0.00000 0.00000 209 6S -0.00078 0.00000 0.00000 0.00000 0.00000 210 7S -0.00231 0.00000 0.00000 0.00000 0.00000 211 8S -0.11637 0.00000 0.00000 0.00000 0.00000 212 9S 1.15417 0.00000 0.00000 0.00000 0.00000 213 9PX 0.00000 0.00000 0.00000 0.00641 0.00000 214 9PY 0.00000 0.00000 0.04257 0.00000 0.00000 215 9PZ -0.33380 0.00000 0.00000 0.00000 0.00000 216 10PX 0.00000 0.00000 0.00000 -0.00013 0.00000 217 10PY 0.00000 0.00000 -0.00021 0.00000 0.00000 218 10PZ 0.00003 0.00000 0.00000 0.00000 0.00000 219 11PX 0.00000 0.00000 0.00000 -0.00113 0.00000 220 11PY 0.00000 0.00000 -0.00176 0.00000 0.00000 221 11PZ 0.00027 0.00000 0.00000 0.00000 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00349 0.00000 223 12PY 0.00000 0.00000 0.00535 0.00000 0.00000 224 12PZ -0.00090 0.00000 0.00000 0.00000 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00132 0.00000 226 13PY 0.00000 0.00000 0.00356 0.00000 0.00000 227 13PZ 0.00112 0.00000 0.00000 0.00000 0.00000 228 14PX 0.00000 0.00000 0.00000 -0.01239 0.00000 229 14PY 0.00000 0.00000 -0.02339 0.00000 0.00000 230 14PZ -0.00202 0.00000 0.00000 0.00000 0.00000 231 15PX 0.00000 0.00000 0.00000 0.01207 0.00000 232 15PY 0.00000 0.00000 0.02951 0.00000 0.00000 233 15PZ 0.02002 0.00000 0.00000 0.00000 0.00000 234 16PX 0.00000 0.00000 0.00000 0.00092 0.00000 235 16PY 0.00000 0.00000 -0.04750 0.00000 0.00000 236 16PZ -0.01266 0.00000 0.00000 0.00000 0.00000 237 17D 0 0.00377 0.00000 0.00000 0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 -0.00326 0.00000 239 17D-1 0.00000 0.00000 -0.00058 0.00000 0.00000 240 17D+2 -0.00323 0.00000 0.00000 0.00000 0.00000 241 17D-2 0.00000 -0.00096 0.00000 0.00000 -0.00166 242 18D 0 0.00195 0.00000 0.00000 0.00000 0.00000 243 18D+1 0.00000 0.00000 0.00000 -0.00096 0.00000 244 18D-1 0.00000 0.00000 -0.00188 0.00000 0.00000 245 18D+2 0.00108 0.00000 0.00000 0.00000 0.00000 246 18D-2 0.00000 0.00028 0.00000 0.00000 0.00064 247 19D 0 -0.01550 0.00000 0.00000 0.00000 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.01179 0.00000 249 19D-1 0.00000 0.00000 0.00574 0.00000 0.00000 250 19D+2 0.00716 0.00000 0.00000 0.00000 0.00000 251 19D-2 0.00000 0.00227 0.00000 0.00000 0.00357 252 20D 0 0.03821 0.00000 0.00000 0.00000 0.00000 253 20D+1 0.00000 0.00000 0.00000 -0.02247 0.00000 254 20D-1 0.00000 0.00000 -0.00660 0.00000 0.00000 255 20D+2 -0.01238 0.00000 0.00000 0.00000 0.00000 256 20D-2 0.00000 -0.00433 0.00000 0.00000 -0.00638 257 10 H 1S -0.13856 0.00000 0.07867 0.00000 0.00000 258 2S -1.33184 0.00000 0.79317 0.00000 0.00000 259 3S 1.14176 0.00000 -0.74779 0.00000 0.00000 260 4PX 0.00000 0.07322 0.00000 -0.02452 -0.03528 261 4PY 0.46926 0.00000 -0.38285 0.00000 0.00000 262 4PZ 0.16137 0.00000 -0.23834 0.00000 0.00000 263 11 H 1S 0.38655 0.00000 -0.01067 0.00000 0.00000 264 2S 0.85041 0.00000 0.86454 0.00000 0.00000 265 3S -0.78169 0.00000 -0.46742 0.00000 0.00000 266 4PX 0.00000 -0.07930 0.00000 -0.06196 -0.02699 267 4PY -0.22685 0.00000 -0.33969 0.00000 0.00000 268 4PZ 0.19089 0.00000 0.24503 0.00000 0.00000 269 12 H 1S -0.11481 0.00000 0.00000 0.00000 0.00000 270 2S 0.37042 0.00000 0.00000 0.00000 0.00000 271 3S -0.10695 0.00000 0.00000 0.00000 0.00000 272 4PX 0.00000 0.00000 0.00000 0.09703 0.00000 273 4PY 0.00000 0.00000 0.06071 0.00000 0.00000 274 4PZ 0.26438 0.00000 0.00000 0.00000 0.00000 275 13 H 1S 0.38655 0.00000 0.01067 0.00000 0.00000 276 2S 0.85041 0.00000 -0.86454 0.00000 0.00000 277 3S -0.78169 0.00000 0.46742 0.00000 0.00000 278 4PX 0.00000 0.07930 0.00000 -0.06196 0.02699 279 4PY 0.22685 0.00000 -0.33969 0.00000 0.00000 280 4PZ 0.19089 0.00000 -0.24503 0.00000 0.00000 236 237 238 239 240 (B1)--V (A1)--V (B1)--V (A2)--V (A1)--V Eigenvalues -- 3.60285 3.61871 3.65319 3.74239 3.74768 1 1 C 1S 0.00000 0.02462 0.00000 0.00000 -0.00588 2 2S 0.00000 0.06195 0.00000 0.00000 -0.01413 3 2PX -0.02056 0.00000 -0.03502 0.00243 0.00000 4 2PY 0.00000 -0.16740 0.00000 0.00000 -0.10584 5 2PZ 0.00000 0.18365 0.00000 0.00000 0.28007 6 3S 0.00000 -0.79515 0.00000 0.00000 -0.00017 7 3PX -0.03877 0.00000 0.12647 -0.00393 0.00000 8 3PY 0.00000 0.33338 0.00000 0.00000 0.54701 9 3PZ 0.00000 -0.89636 0.00000 0.00000 -1.18594 10 4S 0.00000 -1.52085 0.00000 0.00000 1.37223 11 4PX -0.33824 0.00000 0.97564 -0.00010 0.00000 12 4PY 0.00000 0.97285 0.00000 0.00000 1.85335 13 4PZ 0.00000 -1.65062 0.00000 0.00000 -1.93403 14 5S 0.00000 4.55319 0.00000 0.00000 0.53972 15 5PX 0.11554 0.00000 -0.59010 0.00160 0.00000 16 5PY 0.00000 -0.75956 0.00000 0.00000 -1.40394 17 5PZ 0.00000 2.07385 0.00000 0.00000 2.02241 18 6D 0 0.00000 0.05737 0.00000 0.00000 0.22556 19 6D+1 0.56901 0.00000 -0.18157 0.43897 0.00000 20 6D-1 0.00000 -0.10294 0.00000 0.00000 0.11830 21 6D+2 0.00000 0.15990 0.00000 0.00000 0.17075 22 6D-2 -0.07669 0.00000 -0.40668 -0.25631 0.00000 23 7D 0 0.00000 -0.84135 0.00000 0.00000 -0.27979 24 7D+1 -0.55156 0.00000 0.34824 -0.70489 0.00000 25 7D-1 0.00000 0.15543 0.00000 0.00000 -0.17445 26 7D+2 0.00000 -0.43516 0.00000 0.00000 -0.41982 27 7D-2 0.06643 0.00000 0.73149 0.40271 0.00000 28 2 C 1S 0.00000 0.02388 0.00000 0.00000 -0.00404 29 2S 0.00000 0.05476 0.00000 0.00000 0.00282 30 2PX -0.01506 0.00000 0.04406 0.00000 0.00000 31 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 32 2PZ 0.00000 -0.12856 0.00000 0.00000 0.72431 33 3S 0.00000 -0.45259 0.00000 0.00000 -0.10303 34 3PX -0.07350 0.00000 -0.17189 0.00000 0.00000 35 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 36 3PZ 0.00000 0.31701 0.00000 0.00000 -2.24478 37 4S 0.00000 -2.88815 0.00000 0.00000 -5.54684 38 4PX -0.04188 0.00000 -1.00236 0.00000 0.00000 39 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 40 4PZ 0.00000 -0.55451 0.00000 0.00000 -0.52159 41 5S 0.00000 3.51187 0.00000 0.00000 6.77990 42 5PX -0.03091 0.00000 0.58683 0.00000 0.00000 43 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 44 5PZ 0.00000 -0.13199 0.00000 0.00000 0.30349 45 6D 0 0.00000 -0.14382 0.00000 0.00000 -0.15418 46 6D+1 0.04919 0.00000 0.43910 0.00000 0.00000 47 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 48 6D+2 0.00000 -0.02906 0.00000 0.00000 -0.42168 49 6D-2 0.00000 0.00000 0.00000 -0.51338 0.00000 50 7D 0 0.00000 -0.81096 0.00000 0.00000 1.58288 51 7D+1 0.08983 0.00000 -0.79347 0.00000 0.00000 52 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 53 7D+2 0.00000 -0.07635 0.00000 0.00000 1.12715 54 7D-2 0.00000 0.00000 0.00000 0.81276 0.00000 55 3 C 1S 0.00000 0.02462 0.00000 0.00000 -0.00588 56 2S 0.00000 0.06195 0.00000 0.00000 -0.01413 57 2PX -0.02056 0.00000 -0.03502 -0.00243 0.00000 58 2PY 0.00000 0.16740 0.00000 0.00000 0.10584 59 2PZ 0.00000 0.18365 0.00000 0.00000 0.28007 60 3S 0.00000 -0.79515 0.00000 0.00000 -0.00017 61 3PX -0.03877 0.00000 0.12647 0.00393 0.00000 62 3PY 0.00000 -0.33338 0.00000 0.00000 -0.54701 63 3PZ 0.00000 -0.89636 0.00000 0.00000 -1.18594 64 4S 0.00000 -1.52085 0.00000 0.00000 1.37223 65 4PX -0.33824 0.00000 0.97564 0.00010 0.00000 66 4PY 0.00000 -0.97285 0.00000 0.00000 -1.85335 67 4PZ 0.00000 -1.65062 0.00000 0.00000 -1.93403 68 5S 0.00000 4.55319 0.00000 0.00000 0.53972 69 5PX 0.11554 0.00000 -0.59010 -0.00160 0.00000 70 5PY 0.00000 0.75956 0.00000 0.00000 1.40394 71 5PZ 0.00000 2.07385 0.00000 0.00000 2.02241 72 6D 0 0.00000 0.05737 0.00000 0.00000 0.22556 73 6D+1 0.56901 0.00000 -0.18157 -0.43897 0.00000 74 6D-1 0.00000 0.10294 0.00000 0.00000 -0.11830 75 6D+2 0.00000 0.15990 0.00000 0.00000 0.17075 76 6D-2 0.07669 0.00000 0.40668 -0.25631 0.00000 77 7D 0 0.00000 -0.84135 0.00000 0.00000 -0.27979 78 7D+1 -0.55156 0.00000 0.34824 0.70489 0.00000 79 7D-1 0.00000 -0.15543 0.00000 0.00000 0.17445 80 7D+2 0.00000 -0.43516 0.00000 0.00000 -0.41982 81 7D-2 -0.06643 0.00000 -0.73149 0.40271 0.00000 82 4 C 1S 0.00000 -0.00985 0.00000 0.00000 0.00506 83 2S 0.00000 -0.02155 0.00000 0.00000 0.00431 84 2PX 0.01268 0.00000 0.02641 0.00436 0.00000 85 2PY 0.00000 -0.25163 0.00000 0.00000 0.30985 86 2PZ 0.00000 0.70355 0.00000 0.00000 -0.06624 87 3S 0.00000 0.31814 0.00000 0.00000 0.10124 88 3PX 0.04240 0.00000 -0.13009 -0.01879 0.00000 89 3PY 0.00000 0.63689 0.00000 0.00000 -0.86747 90 3PZ 0.00000 -1.66524 0.00000 0.00000 -0.23088 91 4S 0.00000 -1.07319 0.00000 0.00000 1.15901 92 4PX 0.25786 0.00000 -1.03025 -0.01979 0.00000 93 4PY 0.00000 3.12469 0.00000 0.00000 1.09071 94 4PZ 0.00000 -1.73341 0.00000 0.00000 -0.74784 95 5S 0.00000 -4.42928 0.00000 0.00000 -1.63988 96 5PX -0.01991 0.00000 0.60318 0.00594 0.00000 97 5PY 0.00000 -0.72765 0.00000 0.00000 -1.01107 98 5PZ 0.00000 2.61475 0.00000 0.00000 1.63348 99 6D 0 0.00000 -0.35234 0.00000 0.00000 -0.15096 100 6D+1 0.56883 0.00000 -0.15738 -0.43526 0.00000 101 6D-1 0.00000 -0.21566 0.00000 0.00000 0.04333 102 6D+2 0.00000 -0.24857 0.00000 0.00000 0.14557 103 6D-2 -0.15814 0.00000 -0.45312 0.23414 0.00000 104 7D 0 0.00000 1.40165 0.00000 0.00000 0.85314 105 7D+1 -0.54505 0.00000 0.31514 0.69653 0.00000 106 7D-1 0.00000 0.49969 0.00000 0.00000 -1.05763 107 7D+2 0.00000 0.77253 0.00000 0.00000 0.46298 108 7D-2 0.16700 0.00000 0.76760 -0.38296 0.00000 109 5 C 1S 0.00000 -0.02428 0.00000 0.00000 0.00865 110 2S 0.00000 -0.06750 0.00000 0.00000 0.02543 111 2PX 0.05298 0.00000 -0.05446 0.00000 0.00000 112 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 113 2PZ 0.00000 0.01142 0.00000 0.00000 0.39376 114 3S 0.00000 0.75367 0.00000 0.00000 -0.29975 115 3PX 0.02465 0.00000 0.19346 0.00000 0.00000 116 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 117 3PZ 0.00000 -0.67887 0.00000 0.00000 -0.69521 118 4S 0.00000 7.66655 0.00000 0.00000 0.20922 119 4PX 0.23189 0.00000 1.11458 0.00000 0.00000 120 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 121 4PZ 0.00000 -4.78372 0.00000 0.00000 -0.58172 122 5S 0.00000 -7.16354 0.00000 0.00000 -4.10361 123 5PX -0.24494 0.00000 -0.59938 0.00000 0.00000 124 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 125 5PZ 0.00000 -1.99256 0.00000 0.00000 0.23351 126 6D 0 0.00000 -0.09392 0.00000 0.00000 0.26185 127 6D+1 0.22160 0.00000 0.66459 0.00000 0.00000 128 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 129 6D+2 0.00000 -0.00550 0.00000 0.00000 0.05998 130 6D-2 0.00000 0.00000 0.00000 0.46903 0.00000 131 7D 0 0.00000 0.22188 0.00000 0.00000 0.49427 132 7D+1 -0.12674 0.00000 -0.92918 0.00000 0.00000 133 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 134 7D+2 0.00000 -0.16726 0.00000 0.00000 0.50126 135 7D-2 0.00000 0.00000 0.00000 -0.75865 0.00000 136 6 C 1S 0.00000 -0.00985 0.00000 0.00000 0.00506 137 2S 0.00000 -0.02155 0.00000 0.00000 0.00431 138 2PX 0.01268 0.00000 0.02641 -0.00436 0.00000 139 2PY 0.00000 0.25163 0.00000 0.00000 -0.30985 140 2PZ 0.00000 0.70355 0.00000 0.00000 -0.06624 141 3S 0.00000 0.31814 0.00000 0.00000 0.10124 142 3PX 0.04240 0.00000 -0.13009 0.01879 0.00000 143 3PY 0.00000 -0.63689 0.00000 0.00000 0.86747 144 3PZ 0.00000 -1.66524 0.00000 0.00000 -0.23088 145 4S 0.00000 -1.07319 0.00000 0.00000 1.15901 146 4PX 0.25786 0.00000 -1.03025 0.01979 0.00000 147 4PY 0.00000 -3.12469 0.00000 0.00000 -1.09071 148 4PZ 0.00000 -1.73341 0.00000 0.00000 -0.74784 149 5S 0.00000 -4.42928 0.00000 0.00000 -1.63988 150 5PX -0.01991 0.00000 0.60318 -0.00594 0.00000 151 5PY 0.00000 0.72765 0.00000 0.00000 1.01107 152 5PZ 0.00000 2.61475 0.00000 0.00000 1.63348 153 6D 0 0.00000 -0.35234 0.00000 0.00000 -0.15096 154 6D+1 0.56883 0.00000 -0.15738 0.43526 0.00000 155 6D-1 0.00000 0.21566 0.00000 0.00000 -0.04333 156 6D+2 0.00000 -0.24857 0.00000 0.00000 0.14557 157 6D-2 0.15814 0.00000 0.45312 0.23414 0.00000 158 7D 0 0.00000 1.40165 0.00000 0.00000 0.85314 159 7D+1 -0.54505 0.00000 0.31514 -0.69653 0.00000 160 7D-1 0.00000 -0.49969 0.00000 0.00000 1.05763 161 7D+2 0.00000 0.77253 0.00000 0.00000 0.46298 162 7D-2 -0.16700 0.00000 -0.76760 -0.38296 0.00000 163 7 H 1S 0.00000 0.17805 0.00000 0.00000 0.38105 164 2S 0.00000 -0.29746 0.00000 0.00000 0.70197 165 3S 0.00000 -0.54105 0.00000 0.00000 -0.43642 166 4PX -0.01486 0.00000 -0.13589 -0.00594 0.00000 167 4PY 0.00000 -0.08000 0.00000 0.00000 0.34082 168 4PZ 0.00000 -0.11517 0.00000 0.00000 -0.19812 169 8 Mg 1S 0.00000 -0.01252 0.00000 0.00000 -0.01012 170 2S 0.00000 -0.04522 0.00000 0.00000 -0.03642 171 3S 0.00000 0.28704 0.00000 0.00000 0.23155 172 4S 0.00000 -0.39989 0.00000 0.00000 -0.30776 173 5S 0.00000 1.65032 0.00000 0.00000 0.38578 174 6S 0.00000 2.34272 0.00000 0.00000 0.42269 175 7S 0.00000 -0.24996 0.00000 0.00000 -0.00431 176 7PX -0.00028 0.00000 -0.02286 0.00000 0.00000 177 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 7PZ 0.00000 0.10590 0.00000 0.00000 0.00441 179 8PX 0.00387 0.00000 -0.02189 0.00000 0.00000 180 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 8PZ 0.00000 0.03001 0.00000 0.00000 0.02382 182 9PX -0.00194 0.00000 0.00531 0.00000 0.00000 183 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 9PZ 0.00000 -0.00314 0.00000 0.00000 -0.01005 185 10PX -0.01485 0.00000 0.08192 0.00000 0.00000 186 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 187 10PZ 0.00000 -0.28516 0.00000 0.00000 0.00414 188 11PX 0.02103 0.00000 -0.07708 0.00000 0.00000 189 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 11PZ 0.00000 -1.36734 0.00000 0.00000 -0.21903 191 12PX 0.10236 0.00000 0.04266 0.00000 0.00000 192 12PY 0.00000 0.00000 0.00000 0.00000 0.00000 193 12PZ 0.00000 -2.08071 0.00000 0.00000 0.50007 194 13D 0 0.00000 0.14827 0.00000 0.00000 0.05228 195 13D+1 0.00765 0.00000 -0.12095 0.00000 0.00000 196 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 197 13D+2 0.00000 -0.01006 0.00000 0.00000 -0.01836 198 13D-2 0.00000 0.00000 0.00000 0.03758 0.00000 199 14D 0 0.00000 0.31586 0.00000 0.00000 0.26252 200 14D+1 -0.03680 0.00000 0.05459 0.00000 0.00000 201 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000 202 14D+2 0.00000 0.01634 0.00000 0.00000 0.00959 203 14D-2 0.00000 0.00000 0.00000 -0.00526 0.00000 204 9 Br 1S 0.00000 0.00051 0.00000 0.00000 -0.00022 205 2S 0.00000 0.00154 0.00000 0.00000 -0.00068 206 3S 0.00000 -0.00321 0.00000 0.00000 0.00161 207 4S 0.00000 -0.01088 0.00000 0.00000 0.00389 208 5S 0.00000 0.03143 0.00000 0.00000 -0.01066 209 6S 0.00000 -0.01580 0.00000 0.00000 -0.00014 210 7S 0.00000 -0.04663 0.00000 0.00000 0.06579 211 8S 0.00000 0.13240 0.00000 0.00000 -0.22420 212 9S 0.00000 1.33884 0.00000 0.00000 -0.59342 213 9PX -0.02892 0.00000 0.00515 0.00000 0.00000 214 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 215 9PZ 0.00000 -0.32712 0.00000 0.00000 0.17738 216 10PX 0.00000 0.00000 -0.00017 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 -0.00006 0.00000 0.00000 -0.00025 219 11PX 0.00000 0.00000 -0.00143 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00000 -0.00041 0.00000 0.00000 -0.00205 222 12PX 0.00002 0.00000 0.00447 0.00000 0.00000 223 12PY 0.00000 0.00000 0.00000 0.00000 0.00000 224 12PZ 0.00000 0.00039 0.00000 0.00000 0.00577 225 13PX -0.00038 0.00000 0.00111 0.00000 0.00000 226 13PY 0.00000 0.00000 0.00000 0.00000 0.00000 227 13PZ 0.00000 0.01302 0.00000 0.00000 0.01116 228 14PX 0.00100 0.00000 -0.01461 0.00000 0.00000 229 14PY 0.00000 0.00000 0.00000 0.00000 0.00000 230 14PZ 0.00000 -0.03447 0.00000 0.00000 -0.04498 231 15PX -0.00247 0.00000 0.01409 0.00000 0.00000 232 15PY 0.00000 0.00000 0.00000 0.00000 0.00000 233 15PZ 0.00000 0.04526 0.00000 0.00000 0.05215 234 16PX 0.01331 0.00000 -0.00623 0.00000 0.00000 235 16PY 0.00000 0.00000 0.00000 0.00000 0.00000 236 16PZ 0.00000 -0.15118 0.00000 0.00000 0.10520 237 17D 0 0.00000 0.00755 0.00000 0.00000 0.00259 238 17D+1 -0.00082 0.00000 -0.00423 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00180 0.00000 0.00000 0.00128 241 17D-2 0.00000 0.00000 0.00000 -0.00075 0.00000 242 18D 0 0.00000 -0.00801 0.00000 0.00000 -0.00753 243 18D+1 0.00012 0.00000 -0.00075 0.00000 0.00000 244 18D-1 0.00000 0.00000 0.00000 0.00000 0.00000 245 18D+2 0.00000 -0.00086 0.00000 0.00000 -0.00082 246 18D-2 0.00000 0.00000 0.00000 0.00046 0.00000 247 19D 0 0.00000 -0.00455 0.00000 0.00000 0.00933 248 19D+1 0.00221 0.00000 0.01450 0.00000 0.00000 249 19D-1 0.00000 0.00000 0.00000 0.00000 0.00000 250 19D+2 0.00000 -0.00355 0.00000 0.00000 -0.00219 251 19D-2 0.00000 0.00000 0.00000 0.00131 0.00000 252 20D 0 0.00000 0.00590 0.00000 0.00000 -0.04204 253 20D+1 -0.00570 0.00000 -0.02712 0.00000 0.00000 254 20D-1 0.00000 0.00000 0.00000 0.00000 0.00000 255 20D+2 0.00000 0.00613 0.00000 0.00000 0.00418 256 20D-2 0.00000 0.00000 0.00000 -0.00224 0.00000 257 10 H 1S 0.00000 0.17805 0.00000 0.00000 0.38105 258 2S 0.00000 -0.29746 0.00000 0.00000 0.70197 259 3S 0.00000 -0.54105 0.00000 0.00000 -0.43642 260 4PX -0.01486 0.00000 -0.13589 0.00594 0.00000 261 4PY 0.00000 0.08000 0.00000 0.00000 -0.34082 262 4PZ 0.00000 -0.11517 0.00000 0.00000 -0.19812 263 11 H 1S 0.00000 -0.14830 0.00000 0.00000 -0.06991 264 2S 0.00000 0.14177 0.00000 0.00000 -0.15043 265 3S 0.00000 -0.09886 0.00000 0.00000 0.09317 266 4PX -0.00845 0.00000 0.14518 0.00007 0.00000 267 4PY 0.00000 -0.16009 0.00000 0.00000 0.10010 268 4PZ 0.00000 0.03280 0.00000 0.00000 0.03986 269 12 H 1S 0.00000 0.02097 0.00000 0.00000 -0.61550 270 2S 0.00000 1.31349 0.00000 0.00000 -1.08484 271 3S 0.00000 -0.58437 0.00000 0.00000 0.34958 272 4PX 0.06700 0.00000 -0.12819 0.00000 0.00000 273 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4PZ 0.00000 0.52436 0.00000 0.00000 -0.61851 275 13 H 1S 0.00000 -0.14830 0.00000 0.00000 -0.06991 276 2S 0.00000 0.14177 0.00000 0.00000 -0.15043 277 3S 0.00000 -0.09886 0.00000 0.00000 0.09317 278 4PX -0.00845 0.00000 0.14518 -0.00007 0.00000 279 4PY 0.00000 0.16009 0.00000 0.00000 -0.10010 280 4PZ 0.00000 0.03280 0.00000 0.00000 0.03986 241 242 243 244 245 (B2)--V (B2)--V (A1)--V (A1)--V (B2)--V Eigenvalues -- 3.74788 3.81581 3.82805 3.86839 3.87612 1 1 C 1S -0.00741 0.00493 -0.02347 0.00981 -0.00058 2 2S -0.00534 -0.00274 -0.03944 0.02548 -0.00020 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY 0.49552 0.11310 0.12380 -0.25972 0.14651 5 2PZ 0.27395 -0.34404 0.00526 -0.31169 -0.31570 6 3S -0.14360 0.02661 0.04954 -0.44382 0.08193 7 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 3PY -1.71302 -0.23165 -0.57621 0.41870 -0.66574 9 3PZ -0.63064 1.38896 -0.16231 0.84805 1.28587 10 4S -3.15847 3.33135 1.28486 -0.36699 -1.26370 11 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 12 4PY -0.38416 -0.46110 1.06441 0.02620 -2.72629 13 4PZ 1.14592 2.94393 0.66209 0.93438 3.68642 14 5S 6.47814 1.61678 -0.06142 0.18312 -2.38591 15 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 5PY 1.05605 1.51614 0.05166 0.34291 4.53189 17 5PZ -1.10194 -2.23717 0.05179 -0.28961 -8.73716 18 6D 0 0.16101 -0.34724 -0.03123 0.00434 -0.15607 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 -0.26576 -0.23732 0.22333 -0.12921 -0.10680 21 6D+2 -0.18483 0.17870 -0.45190 -0.02768 -0.21642 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 7D 0 -0.44001 1.33351 -0.49801 -0.52632 1.13244 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 1.61550 -0.33819 1.22777 1.45787 0.99749 26 7D+2 -0.27866 0.32568 -0.35617 -0.24335 0.95021 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 C 1S 0.00000 0.00000 -0.00020 0.01844 0.00000 29 2S 0.00000 0.00000 -0.01636 0.02805 0.00000 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY 0.28845 -0.13977 0.00000 0.00000 0.43597 32 2PZ 0.00000 0.00000 0.41349 -0.19094 0.00000 33 3S 0.00000 0.00000 0.47291 0.10659 0.00000 34 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 35 3PY -1.44667 0.11447 0.00000 0.00000 -1.82722 36 3PZ 0.00000 0.00000 -0.70671 0.92135 0.00000 37 4S 0.00000 0.00000 -0.93360 1.55103 0.00000 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY -3.22315 -1.18286 0.00000 0.00000 -4.87210 40 4PZ 0.00000 0.00000 -0.71851 -0.57799 0.00000 41 5S 0.00000 0.00000 0.62487 -1.14649 0.00000 42 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 5PY 3.38454 2.59264 0.00000 0.00000 9.54172 44 5PZ 0.00000 0.00000 0.18328 -0.21812 0.00000 45 6D 0 0.00000 0.00000 -0.24047 -0.55397 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.37807 -0.05886 0.00000 0.00000 0.29877 48 6D+2 0.00000 0.00000 0.15806 0.15799 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00000 0.00000 -0.87433 -1.72285 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 -0.77499 -0.55677 0.00000 0.00000 -1.67065 53 7D+2 0.00000 0.00000 -0.64307 -1.09036 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.00741 -0.00493 -0.02347 0.00981 0.00058 56 2S 0.00534 0.00274 -0.03944 0.02548 0.00020 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.49552 0.11310 -0.12380 0.25972 0.14651 59 2PZ -0.27395 0.34404 0.00526 -0.31169 0.31570 60 3S 0.14360 -0.02661 0.04954 -0.44382 -0.08193 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY -1.71302 -0.23165 0.57621 -0.41870 -0.66574 63 3PZ 0.63064 -1.38896 -0.16231 0.84805 -1.28587 64 4S 3.15847 -3.33135 1.28486 -0.36699 1.26370 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY -0.38416 -0.46110 -1.06441 -0.02620 -2.72629 67 4PZ -1.14592 -2.94393 0.66209 0.93438 -3.68642 68 5S -6.47814 -1.61678 -0.06142 0.18312 2.38591 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY 1.05605 1.51614 -0.05166 -0.34291 4.53189 71 5PZ 1.10194 2.23717 0.05179 -0.28961 8.73716 72 6D 0 -0.16101 0.34724 -0.03123 0.00434 0.15607 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 -0.26576 -0.23732 -0.22333 0.12921 -0.10680 75 6D+2 0.18483 -0.17870 -0.45190 -0.02768 0.21642 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.44001 -1.33351 -0.49801 -0.52632 -1.13244 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 1.61550 -0.33819 -1.22777 -1.45787 0.99749 80 7D+2 0.27866 -0.32568 -0.35617 -0.24335 -0.95021 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S 0.00616 0.00528 -0.01418 0.02604 -0.00953 83 2S 0.01498 -0.00568 -0.02612 0.05023 -0.01579 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY 0.39984 0.26156 -0.36722 0.03630 -0.30808 86 2PZ 0.09863 0.39470 -0.14998 -0.00532 0.30336 87 3S -0.09876 0.18932 0.43194 -0.25602 0.29056 88 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 3PY -1.16899 -1.00416 1.05108 -0.24023 1.16573 90 3PZ -0.00219 -1.46507 0.13863 -0.10662 -1.26873 91 4S 1.43184 6.48373 -3.30120 -0.17399 -2.72867 92 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 4PY -0.84306 -0.39799 2.18311 -0.26957 3.22557 94 4PZ 1.57488 -1.52395 -0.15441 0.38673 -4.46641 95 5S 1.44554 -0.08881 0.58579 -0.04844 -5.69015 96 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PY -0.19773 -1.09782 -0.16264 0.37918 -4.05390 98 5PZ -0.92117 1.36864 0.23588 0.12588 8.76199 99 6D 0 0.04168 -0.36364 -0.09330 0.08375 -0.18252 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 0.27898 -0.00642 -0.03187 -0.32596 -0.12786 102 6D+2 0.01893 0.23074 -0.29589 0.43567 -0.40796 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 -0.12390 1.34464 0.35527 0.16637 1.05096 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 -0.37352 -1.16166 -0.43525 -1.18107 1.34690 107 7D+2 0.08722 0.38422 0.46572 0.13299 1.03136 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 5 C 1S 0.00000 0.00000 -0.00043 0.01426 0.00000 110 2S 0.00000 0.00000 -0.01038 0.03520 0.00000 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY -0.06254 0.18233 0.00000 0.00000 -0.48236 113 2PZ 0.00000 0.00000 0.22958 0.42087 0.00000 114 3S 0.00000 0.00000 -0.09636 -0.76270 0.00000 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY -0.28197 -0.79441 0.00000 0.00000 2.13478 117 3PZ 0.00000 0.00000 -0.69408 -0.70874 0.00000 118 4S 0.00000 0.00000 5.12776 -0.53322 0.00000 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY -2.60591 -2.67828 0.00000 0.00000 6.47735 121 4PZ 0.00000 0.00000 -2.76220 1.40777 0.00000 122 5S 0.00000 0.00000 -1.45808 3.42540 0.00000 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 5PY -0.32784 -1.91357 0.00000 0.00000 -6.97214 125 5PZ 0.00000 0.00000 0.99388 -0.30345 0.00000 126 6D 0 0.00000 0.00000 0.24728 0.01926 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 -0.09673 -0.24423 0.00000 0.00000 0.39560 129 6D+2 0.00000 0.00000 0.34652 0.05908 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00000 0.00000 0.25297 0.78320 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.43461 0.33161 0.00000 0.00000 -1.87890 134 7D+2 0.00000 0.00000 -0.26285 0.28364 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S -0.00616 -0.00528 -0.01418 0.02604 0.00953 137 2S -0.01498 0.00568 -0.02612 0.05023 0.01579 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY 0.39984 0.26156 0.36722 -0.03630 -0.30808 140 2PZ -0.09863 -0.39470 -0.14998 -0.00532 -0.30336 141 3S 0.09876 -0.18932 0.43194 -0.25602 -0.29056 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY -1.16899 -1.00416 -1.05108 0.24023 1.16573 144 3PZ 0.00219 1.46507 0.13863 -0.10662 1.26873 145 4S -1.43184 -6.48373 -3.30120 -0.17399 2.72867 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY -0.84306 -0.39799 -2.18311 0.26957 3.22557 148 4PZ -1.57488 1.52395 -0.15441 0.38673 4.46641 149 5S -1.44554 0.08881 0.58579 -0.04844 5.69015 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY -0.19773 -1.09782 0.16264 -0.37918 -4.05390 152 5PZ 0.92117 -1.36864 0.23588 0.12588 -8.76199 153 6D 0 -0.04168 0.36364 -0.09330 0.08375 0.18252 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.27898 -0.00642 0.03187 0.32596 -0.12786 156 6D+2 -0.01893 -0.23074 -0.29589 0.43567 0.40796 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.12390 -1.34464 0.35527 0.16637 -1.05096 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 -0.37352 -1.16166 0.43525 1.18107 1.34690 161 7D+2 -0.08722 -0.38422 0.46572 0.13299 -1.03136 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S -0.22654 -0.43769 0.03763 0.15972 0.10554 164 2S -0.31402 -0.96273 -0.25735 1.20865 0.12801 165 3S 0.07310 0.28626 -0.34886 -0.37217 0.07175 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY -0.14469 -0.48713 -0.22733 0.61400 0.28637 168 4PZ 0.12755 0.26966 0.16357 -0.20841 0.07795 169 8 Mg 1S 0.00000 0.00000 -0.00500 0.00008 0.00000 170 2S 0.00000 0.00000 -0.01808 0.00100 0.00000 171 3S 0.00000 0.00000 0.11652 -0.01448 0.00000 172 4S 0.00000 0.00000 -0.16016 0.07471 0.00000 173 5S 0.00000 0.00000 0.48801 -0.81102 0.00000 174 6S 0.00000 0.00000 -0.39744 -0.93444 0.00000 175 7S 0.00000 0.00000 0.02706 0.04725 0.00000 176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PY -0.03796 -0.02939 0.00000 0.00000 0.01436 178 7PZ 0.00000 0.00000 -0.10776 0.00806 0.00000 179 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY -0.00627 -0.00560 0.00000 0.00000 -0.01010 181 8PZ 0.00000 0.00000 0.01673 -0.00339 0.00000 182 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 9PY 0.00329 -0.00129 0.00000 0.00000 -0.00169 184 9PZ 0.00000 0.00000 -0.00518 -0.01458 0.00000 185 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 186 10PY 0.04641 0.07135 0.00000 0.00000 0.00771 187 10PZ 0.00000 0.00000 -0.08700 0.38911 0.00000 188 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 11PY 0.16760 0.31473 0.00000 0.00000 -0.29106 190 11PZ 0.00000 0.00000 -0.49080 0.59459 0.00000 191 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 192 12PY 0.31385 0.22786 0.00000 0.00000 -0.37428 193 12PZ 0.00000 0.00000 0.14170 1.51996 0.00000 194 13D 0 0.00000 0.00000 0.04671 -0.18024 0.00000 195 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 196 13D-1 -0.02253 -0.08020 0.00000 0.00000 -0.09339 197 13D+2 0.00000 0.00000 0.01039 -0.01358 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00000 0.00000 0.28712 -0.41332 0.00000 200 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 201 14D-1 -0.11406 -0.39080 0.00000 0.00000 0.23123 202 14D+2 0.00000 0.00000 -0.03530 0.02483 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 0.00000 0.00011 -0.00012 0.00000 205 2S 0.00000 0.00000 0.00034 -0.00036 0.00000 206 3S 0.00000 0.00000 -0.00064 0.00066 0.00000 207 4S 0.00000 0.00000 -0.00276 0.00309 0.00000 208 5S 0.00000 0.00000 0.00828 -0.00934 0.00000 209 6S 0.00000 0.00000 -0.00627 0.00783 0.00000 210 7S 0.00000 0.00000 0.00705 -0.01624 0.00000 211 8S 0.00000 0.00000 -0.08013 0.16109 0.00000 212 9S 0.00000 0.00000 0.05395 -1.09528 0.00000 213 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 214 9PY -0.04272 -0.04217 0.00000 0.00000 0.07074 215 9PZ 0.00000 0.00000 0.03865 0.26764 0.00000 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY -0.00012 -0.00007 0.00000 0.00000 -0.00006 218 10PZ 0.00000 0.00000 -0.00031 0.00030 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY -0.00101 -0.00062 0.00000 0.00000 -0.00050 221 11PZ 0.00000 0.00000 -0.00254 0.00249 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00305 0.00205 0.00000 0.00000 0.00176 224 12PZ 0.00000 0.00000 0.00747 -0.00719 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00258 -0.00084 0.00000 0.00000 -0.00219 227 13PZ 0.00000 0.00000 0.00991 -0.01228 0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY -0.01573 -0.00286 0.00000 0.00000 0.00161 230 14PZ 0.00000 0.00000 -0.04855 0.05482 0.00000 231 15PX 0.00000 0.00000 0.00000 0.00000 0.00000 232 15PY 0.02516 -0.00629 0.00000 0.00000 -0.01118 233 15PZ 0.00000 0.00000 0.07682 -0.09097 0.00000 234 16PX 0.00000 0.00000 0.00000 0.00000 0.00000 235 16PY -0.01836 0.12100 0.00000 0.00000 0.00693 236 16PZ 0.00000 0.00000 -0.06951 0.05702 0.00000 237 17D 0 0.00000 0.00000 0.00485 -0.00802 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00241 -0.00797 0.00000 0.00000 -0.00595 240 17D+2 0.00000 0.00000 0.00289 -0.00043 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 0.00000 -0.00541 0.00816 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 -0.00169 0.00195 0.00000 0.00000 0.00221 245 18D+2 0.00000 0.00000 -0.00209 0.00026 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00000 -0.00325 0.00740 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 -0.00380 0.02142 0.00000 0.00000 0.01433 250 19D+2 0.00000 0.00000 -0.00464 0.00082 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00000 0.00000 0.00306 -0.01429 0.00000 253 20D+1 0.00000 0.00000 0.00000 0.00000 0.00000 254 20D-1 0.00587 -0.06224 0.00000 0.00000 -0.02783 255 20D+2 0.00000 0.00000 0.01070 -0.00234 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.22654 0.43769 0.03763 0.15972 -0.10554 258 2S 0.31402 0.96273 -0.25735 1.20865 -0.12801 259 3S -0.07310 -0.28626 -0.34886 -0.37217 -0.07175 260 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 261 4PY -0.14469 -0.48713 0.22733 -0.61400 0.28637 262 4PZ -0.12755 -0.26966 0.16357 -0.20841 -0.07795 263 11 H 1S 0.55626 -0.17449 -0.34548 -0.13381 -0.01257 264 2S 0.96884 -0.50216 -1.01075 -0.21920 -0.05191 265 3S -0.39096 -0.00411 0.55101 0.30415 0.09958 266 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 267 4PY -0.49670 0.24512 0.57402 -0.08388 -0.11701 268 4PZ 0.25872 -0.19374 -0.32825 0.04481 -0.19503 269 12 H 1S 0.00000 0.00000 0.13185 0.44776 0.00000 270 2S 0.00000 0.00000 0.12828 1.34089 0.00000 271 3S 0.00000 0.00000 -0.11233 -0.66070 0.00000 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 0.04901 -0.13438 0.00000 0.00000 -0.15690 274 4PZ 0.00000 0.00000 0.05375 0.81625 0.00000 275 13 H 1S -0.55626 0.17449 -0.34548 -0.13381 0.01257 276 2S -0.96884 0.50216 -1.01075 -0.21920 0.05191 277 3S 0.39096 0.00411 0.55101 0.30415 -0.09958 278 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 4PY -0.49670 0.24512 -0.57402 0.08388 -0.11701 280 4PZ -0.25872 0.19374 -0.32825 0.04481 0.19503 246 247 248 249 250 (A1)--V (B2)--V (A1)--V (B2)--V (A1)--V Eigenvalues -- 3.91931 3.93310 3.94986 3.98150 4.03098 1 1 C 1S -0.01189 0.02548 -0.00555 -0.01713 -0.00565 2 2S -0.01767 0.05052 -0.00412 -0.02067 -0.00683 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY 0.08240 -0.00711 0.35602 0.09908 -0.20263 5 2PZ 0.30801 0.19412 0.09055 -0.08358 -0.00371 6 3S 0.55419 -0.77552 0.04697 -0.06470 -0.17497 7 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 3PY -0.19487 -0.29233 -1.23986 -0.50095 0.57128 9 3PZ -0.85859 -0.59993 -0.48592 0.25864 0.07595 10 4S -9.09030 1.31942 -9.59249 -1.37901 4.62995 11 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 12 4PY -4.02331 1.39042 -2.83147 -1.64075 2.06175 13 4PZ -2.41731 1.67824 -2.40784 0.75612 0.32745 14 5S 3.25890 1.28920 7.44296 0.66405 -4.88858 15 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 5PY 0.23618 1.87027 0.28357 0.76458 -0.43280 17 5PZ -0.10405 -1.68372 1.63363 -2.04864 -0.66842 18 6D 0 0.18214 -0.08523 0.15270 -0.17666 0.06181 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 0.00955 -0.20702 0.22051 0.43438 0.33743 21 6D+2 -0.33024 0.35289 -0.30846 -0.53479 -0.03848 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 7D 0 0.26090 -0.42566 -1.09254 0.88668 -0.25258 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 -1.04055 2.09874 0.50605 -0.52504 -0.91966 26 7D+2 1.09910 -0.83705 0.02073 0.74952 -0.35229 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 C 1S 0.02994 0.00000 -0.01939 0.00000 -0.00109 29 2S 0.05235 0.00000 -0.03547 0.00000 0.01058 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY 0.00000 0.52004 0.00000 0.01060 0.00000 32 2PZ -0.24005 0.00000 -0.13742 0.00000 0.18514 33 3S -1.00139 0.00000 0.13289 0.00000 -0.40362 34 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 35 3PY 0.00000 -1.49575 0.00000 -0.11586 0.00000 36 3PZ 0.51921 0.00000 0.56121 0.00000 -0.92804 37 4S 9.94727 0.00000 7.62883 0.00000 -5.73081 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY 0.00000 -1.29312 0.00000 -1.98869 0.00000 40 4PZ 5.80007 0.00000 2.57600 0.00000 -2.36462 41 5S -3.01916 0.00000 -3.55729 0.00000 3.11835 42 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 5PY 0.00000 2.27662 0.00000 2.62966 0.00000 44 5PZ 0.22276 0.00000 -1.17493 0.00000 0.54950 45 6D 0 -0.60351 0.00000 0.47785 0.00000 0.47600 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.13416 0.00000 0.28373 0.00000 48 6D+2 0.40562 0.00000 0.11435 0.00000 -0.01115 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 2.54453 0.00000 -1.41987 0.00000 -0.14023 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00000 -0.31902 0.00000 -1.39322 0.00000 53 7D+2 0.16497 0.00000 -1.11042 0.00000 0.17505 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S -0.01189 -0.02548 -0.00555 0.01713 -0.00565 56 2S -0.01767 -0.05052 -0.00412 0.02067 -0.00683 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY -0.08240 -0.00711 -0.35602 0.09908 0.20263 59 2PZ 0.30801 -0.19412 0.09055 0.08358 -0.00371 60 3S 0.55419 0.77552 0.04697 0.06470 -0.17497 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY 0.19487 -0.29233 1.23986 -0.50095 -0.57128 63 3PZ -0.85859 0.59993 -0.48592 -0.25864 0.07595 64 4S -9.09030 -1.31942 -9.59249 1.37901 4.62995 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY 4.02331 1.39042 2.83147 -1.64075 -2.06175 67 4PZ -2.41731 -1.67824 -2.40784 -0.75612 0.32745 68 5S 3.25890 -1.28920 7.44296 -0.66405 -4.88858 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY -0.23618 1.87027 -0.28357 0.76458 0.43280 71 5PZ -0.10405 1.68372 1.63363 2.04864 -0.66842 72 6D 0 0.18214 0.08523 0.15270 0.17666 0.06181 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 -0.00955 -0.20702 -0.22051 0.43438 -0.33743 75 6D+2 -0.33024 -0.35289 -0.30846 0.53479 -0.03848 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.26090 0.42566 -1.09254 -0.88668 -0.25258 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 1.04055 2.09874 -0.50605 -0.52504 0.91966 80 7D+2 1.09910 0.83705 0.02073 -0.74952 -0.35229 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S -0.00573 0.02883 0.00889 0.00587 0.00431 83 2S -0.00910 0.05499 0.00734 0.00342 0.00302 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY 0.47482 -0.07716 0.05309 0.04332 -0.03740 86 2PZ -0.00753 -0.18661 0.23447 0.08063 -0.09532 87 3S -0.16480 -0.80251 -0.22231 0.19268 0.38480 88 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 3PY -1.30650 0.56676 -0.33116 -0.23220 0.02777 90 3PZ -0.09116 0.54845 -0.77757 -0.44238 0.21123 91 4S 7.04446 0.53593 10.80413 1.05165 -5.53490 92 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 4PY -2.16820 -1.32528 -3.60749 0.16901 2.25291 94 4PZ -1.43356 -2.07506 -2.89567 -0.31899 0.57863 95 5S -4.38560 0.56222 -6.23263 -2.21885 5.14865 96 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PY 0.78888 -1.97407 -0.18724 -0.39133 -0.40493 98 5PZ 0.32506 1.54724 1.52012 1.16392 -0.81007 99 6D 0 -0.11407 -0.04418 -0.23889 0.15838 0.07412 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 0.12428 -0.38037 -0.21068 -0.37434 -0.32296 102 6D+2 -0.03446 0.47109 0.41068 0.37352 0.00920 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 0.44913 -0.55109 0.81151 -0.13005 0.26204 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 -0.27544 2.39512 0.34432 -0.07553 0.27502 107 7D+2 -0.11072 -0.98802 -0.57608 -0.24630 0.74706 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 5 C 1S 0.02870 0.00000 -0.02395 0.00000 0.02710 110 2S 0.05122 0.00000 -0.04278 0.00000 0.03396 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY 0.00000 -0.49381 0.00000 0.08971 0.00000 113 2PZ -0.22281 0.00000 -0.15903 0.00000 0.16627 114 3S -0.30121 0.00000 1.00120 0.00000 -0.57554 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY 0.00000 1.59745 0.00000 -0.23608 0.00000 117 3PZ 0.75124 0.00000 0.31250 0.00000 -0.54880 118 4S -6.23548 0.00000 -10.26949 0.00000 8.59608 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY 0.00000 2.35423 0.00000 -0.19144 0.00000 121 4PZ 1.78191 0.00000 4.42069 0.00000 -2.38441 122 5S 5.96951 0.00000 1.09231 0.00000 -2.27225 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 5PY 0.00000 -1.58304 0.00000 -0.79088 0.00000 125 5PZ -1.07369 0.00000 0.08734 0.00000 0.78848 126 6D 0 -0.42841 0.00000 0.24985 0.00000 -0.94577 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.14909 0.00000 -0.13113 0.00000 129 6D+2 0.08194 0.00000 -0.43261 0.00000 0.19750 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.64849 0.00000 -0.80015 0.00000 2.04163 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.00000 -0.50262 0.00000 0.42512 0.00000 134 7D+2 0.51773 0.00000 0.77185 0.00000 -0.04922 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S -0.00573 -0.02883 0.00889 -0.00587 0.00431 137 2S -0.00910 -0.05499 0.00734 -0.00342 0.00302 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY -0.47482 -0.07716 -0.05309 0.04332 0.03740 140 2PZ -0.00753 0.18661 0.23447 -0.08063 -0.09532 141 3S -0.16480 0.80251 -0.22231 -0.19268 0.38480 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY 1.30650 0.56676 0.33116 -0.23220 -0.02777 144 3PZ -0.09116 -0.54845 -0.77757 0.44238 0.21123 145 4S 7.04446 -0.53593 10.80413 -1.05165 -5.53490 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY 2.16820 -1.32528 3.60749 0.16901 -2.25291 148 4PZ -1.43356 2.07506 -2.89567 0.31899 0.57863 149 5S -4.38560 -0.56222 -6.23263 2.21885 5.14865 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY -0.78888 -1.97407 0.18724 -0.39133 0.40493 152 5PZ 0.32506 -1.54724 1.52012 -1.16392 -0.81007 153 6D 0 -0.11407 0.04418 -0.23889 -0.15838 0.07412 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 -0.12428 -0.38037 0.21068 -0.37434 0.32296 156 6D+2 -0.03446 -0.47109 0.41068 -0.37352 0.00920 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.44913 0.55109 0.81151 0.13005 0.26204 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 0.27544 2.39512 -0.34432 -0.07553 -0.27502 161 7D+2 -0.11072 0.98802 -0.57608 0.24630 0.74706 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S 0.08680 0.40041 -0.04880 -0.07609 0.09125 164 2S 0.47225 1.18402 0.09072 -0.15779 0.34107 165 3S 0.16316 -1.43037 0.93954 0.05464 -0.47765 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.14487 0.22428 0.14660 -0.35383 0.10628 168 4PZ -0.13629 0.02105 -0.17625 0.09466 -0.26437 169 8 Mg 1S -0.00745 0.00000 0.00022 0.00000 -0.00462 170 2S -0.02539 0.00000 -0.00068 0.00000 -0.01314 171 3S 0.15124 0.00000 0.01887 0.00000 0.05123 172 4S -0.15235 0.00000 -0.10312 0.00000 0.11367 173 5S -0.39640 0.00000 -0.01816 0.00000 -1.17288 174 6S 0.61900 0.00000 -0.92646 0.00000 -0.20668 175 7S -0.04265 0.00000 0.05795 0.00000 0.02682 176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PY 0.00000 0.07300 0.00000 0.00038 0.00000 178 7PZ 0.00086 0.00000 -0.01311 0.00000 -0.08405 179 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY 0.00000 -0.00303 0.00000 0.01433 0.00000 181 8PZ -0.00621 0.00000 0.00961 0.00000 -0.02057 182 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 9PY 0.00000 0.00297 0.00000 -0.00592 0.00000 184 9PZ -0.01499 0.00000 0.01883 0.00000 -0.04628 185 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 186 10PY 0.00000 -0.03081 0.00000 -0.05309 0.00000 187 10PZ 0.29939 0.00000 -0.30149 0.00000 0.97958 188 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 11PY 0.00000 -0.17434 0.00000 0.05754 0.00000 190 11PZ -0.39194 0.00000 0.58688 0.00000 -0.49783 191 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 192 12PY 0.00000 0.00858 0.00000 0.00302 0.00000 193 12PZ 0.67831 0.00000 -0.45453 0.00000 1.31718 194 13D 0 -0.15733 0.00000 0.22421 0.00000 -0.57450 195 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 196 13D-1 0.00000 0.02424 0.00000 0.06488 0.00000 197 13D+2 -0.01071 0.00000 -0.03023 0.00000 -0.01191 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.12122 0.00000 0.12241 0.00000 -0.64084 200 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 201 14D-1 0.00000 0.16611 0.00000 -0.03001 0.00000 202 14D+2 -0.00902 0.00000 0.01438 0.00000 -0.01584 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00023 0.00000 -0.00027 0.00000 0.00085 205 2S 0.00071 0.00000 -0.00085 0.00000 0.00263 206 3S -0.00158 0.00000 0.00198 0.00000 -0.00595 207 4S -0.00466 0.00000 0.00497 0.00000 -0.01656 208 5S 0.01332 0.00000 -0.01381 0.00000 0.04709 209 6S -0.00421 0.00000 0.00058 0.00000 -0.01058 210 7S -0.04608 0.00000 0.08767 0.00000 -0.22181 211 8S 0.10834 0.00000 -0.32531 0.00000 0.87777 212 9S -0.72102 0.00000 0.55635 0.00000 -0.92981 213 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 214 9PY 0.00000 -0.04184 0.00000 -0.00228 0.00000 215 9PZ 0.24306 0.00000 -0.19186 0.00000 0.32537 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00010 0.00000 0.00008 0.00000 218 10PZ 0.00027 0.00000 -0.00051 0.00000 0.00113 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00083 0.00000 0.00068 0.00000 221 11PZ 0.00225 0.00000 -0.00421 0.00000 0.00947 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 -0.00263 0.00000 -0.00221 0.00000 224 12PZ -0.00693 0.00000 0.01259 0.00000 -0.02871 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 -0.00088 0.00000 0.00042 0.00000 227 13PZ -0.00458 0.00000 0.01476 0.00000 -0.02870 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 0.01021 0.00000 0.00521 0.00000 230 14PZ 0.03277 0.00000 -0.07749 0.00000 0.16559 231 15PX 0.00000 0.00000 0.00000 0.00000 0.00000 232 15PY 0.00000 -0.01486 0.00000 -0.00497 0.00000 233 15PZ -0.04172 0.00000 0.11059 0.00000 -0.24087 234 16PX 0.00000 0.00000 0.00000 0.00000 0.00000 235 16PY 0.00000 -0.01791 0.00000 0.00082 0.00000 236 16PZ -0.06193 0.00000 0.11446 0.00000 -0.30880 237 17D 0 0.00114 0.00000 0.00398 0.00000 -0.01179 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00163 0.00000 0.00228 0.00000 240 17D+2 0.00073 0.00000 0.00016 0.00000 0.00152 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00226 0.00000 -0.01010 0.00000 0.02578 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 -0.00060 0.00000 -0.00079 0.00000 245 18D+2 -0.00059 0.00000 -0.00016 0.00000 -0.00150 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 -0.00941 0.00000 0.01054 0.00000 -0.02037 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00000 -0.00414 0.00000 -0.00584 0.00000 250 19D+2 -0.00109 0.00000 -0.00016 0.00000 -0.00180 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.03707 0.00000 -0.05174 0.00000 0.10108 253 20D+1 0.00000 0.00000 0.00000 0.00000 0.00000 254 20D-1 0.00000 0.01510 0.00000 0.01329 0.00000 255 20D+2 0.00267 0.00000 -0.00001 0.00000 0.00508 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.08680 -0.40041 -0.04880 0.07609 0.09125 258 2S 0.47225 -1.18402 0.09072 0.15779 0.34107 259 3S 0.16316 1.43037 0.93954 -0.05464 -0.47765 260 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 261 4PY -0.14487 0.22428 -0.14660 -0.35383 -0.10628 262 4PZ -0.13629 -0.02105 -0.17625 -0.09466 -0.26437 263 11 H 1S 0.21961 0.36691 -0.14597 -0.07480 0.03179 264 2S 0.42817 1.01095 -0.95724 -0.06725 0.43531 265 3S -1.30578 -1.14096 -0.36543 0.46211 0.22866 266 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 267 4PY 0.02010 -0.22928 0.39836 -0.33491 -0.11875 268 4PZ 0.08235 0.00792 -0.38697 0.05282 -0.14138 269 12 H 1S -0.37603 0.00000 0.14841 0.00000 -0.03870 270 2S -0.67421 0.00000 0.78272 0.00000 -0.53919 271 3S 1.76684 0.00000 -0.03566 0.00000 -0.30966 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 0.05725 0.00000 -0.30489 0.00000 274 4PZ 0.07012 0.00000 0.00013 0.00000 -0.41696 275 13 H 1S 0.21961 -0.36691 -0.14597 0.07480 0.03179 276 2S 0.42817 -1.01095 -0.95724 0.06725 0.43531 277 3S -1.30578 1.14096 -0.36543 -0.46211 0.22866 278 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 4PY -0.02010 -0.22928 -0.39836 -0.33491 0.11875 280 4PZ 0.08235 -0.00792 -0.38697 -0.05282 -0.14138 251 252 253 254 255 (A1)--V (B2)--V (A1)--V (A1)--V (B2)--V Eigenvalues -- 4.44063 4.51840 4.61726 4.78109 4.82034 1 1 C 1S -0.00929 0.01977 0.01235 -0.01528 -0.03104 2 2S -0.01015 0.01890 0.00088 -0.01741 -0.03546 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY -0.11373 0.26756 0.38697 0.12238 -0.43794 5 2PZ -0.02026 0.27140 0.16357 -0.53081 0.03677 6 3S 0.24160 -0.31127 0.24957 0.25716 0.46153 7 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 3PY 0.41018 -1.15692 -1.23235 -0.34075 1.82906 9 3PZ 0.33743 -0.92914 -0.57136 1.97572 -0.05638 10 4S 0.58846 0.35206 3.43877 0.47232 0.59768 11 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 12 4PY 0.20239 -0.24231 0.00909 -0.34135 0.30011 13 4PZ 0.17892 -0.27186 0.03118 0.57706 -0.20274 14 5S 3.05234 -0.22354 -10.37972 1.66625 0.27317 15 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 5PY 0.10246 -0.43840 -1.96812 0.23989 -0.03711 17 5PZ 0.48821 0.78360 -0.71992 0.04886 0.08418 18 6D 0 0.07089 -0.41931 -0.31516 0.45114 0.02124 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 -0.31200 0.42933 0.45324 0.14230 -0.33267 21 6D+2 -0.02498 -0.02290 0.10905 0.16440 -0.21797 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 7D 0 -0.01019 -0.00829 1.02833 0.67584 -0.06831 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 -0.73565 -0.10917 -1.34274 -0.07588 -0.57026 26 7D+2 0.10070 -0.37983 0.09135 0.47334 0.21443 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 C 1S 0.00944 0.00000 -0.01612 -0.04093 0.00000 29 2S 0.00529 0.00000 -0.00486 -0.04851 0.00000 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY 0.00000 0.20702 0.00000 0.00000 -0.50775 32 2PZ 0.23054 0.00000 -0.47168 -0.46696 0.00000 33 3S -0.17745 0.00000 -0.21123 0.66522 0.00000 34 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 35 3PY 0.00000 -0.42747 0.00000 0.00000 1.87499 36 3PZ -0.95145 0.00000 1.57299 2.03498 0.00000 37 4S -0.75961 0.00000 -3.36089 0.34136 0.00000 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY 0.00000 0.13674 0.00000 0.00000 0.69596 40 4PZ -0.82167 0.00000 0.07473 -0.09738 0.00000 41 5S -1.50126 0.00000 11.78460 -1.69966 0.00000 42 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 5PY 0.00000 -0.97911 0.00000 0.00000 -0.17262 44 5PZ -0.24528 0.00000 2.12355 -0.43219 0.00000 45 6D 0 0.42238 0.00000 -0.35683 -0.14551 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 -0.20590 0.00000 0.00000 0.53028 48 6D+2 0.34216 0.00000 -0.53273 -0.39575 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.28528 0.00000 1.18410 -0.77011 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00000 -0.48749 0.00000 0.00000 0.69437 53 7D+2 -0.00901 0.00000 1.22344 -0.05340 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S -0.00929 -0.01977 0.01235 -0.01528 0.03104 56 2S -0.01015 -0.01890 0.00088 -0.01741 0.03546 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.11373 0.26756 -0.38697 -0.12238 -0.43794 59 2PZ -0.02026 -0.27140 0.16357 -0.53081 -0.03677 60 3S 0.24160 0.31127 0.24957 0.25716 -0.46153 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY -0.41018 -1.15692 1.23235 0.34075 1.82906 63 3PZ 0.33743 0.92914 -0.57136 1.97572 0.05638 64 4S 0.58846 -0.35206 3.43877 0.47232 -0.59768 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY -0.20239 -0.24231 -0.00909 0.34135 0.30011 67 4PZ 0.17892 0.27186 0.03118 0.57706 0.20274 68 5S 3.05234 0.22354 -10.37972 1.66625 -0.27317 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY -0.10246 -0.43840 1.96812 -0.23989 -0.03711 71 5PZ 0.48821 -0.78360 -0.71992 0.04886 -0.08418 72 6D 0 0.07089 0.41931 -0.31516 0.45114 -0.02124 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.31200 0.42933 -0.45324 -0.14230 -0.33267 75 6D+2 -0.02498 0.02290 0.10905 0.16440 0.21797 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 -0.01019 0.00829 1.02833 0.67584 0.06831 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.73565 -0.10917 1.34274 0.07588 -0.57026 80 7D+2 0.10070 0.37983 0.09135 0.47334 -0.21443 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S -0.00652 0.01855 -0.00848 0.02268 0.02936 83 2S 0.00240 0.01504 0.00224 0.02774 0.03246 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY 0.38741 -0.26416 0.29379 0.00470 -0.44525 86 2PZ -0.04695 -0.26098 0.17999 -0.46197 0.11033 87 3S -0.18736 -0.18483 -0.25885 -0.46115 -0.41946 88 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 3PY -1.07364 1.07445 -0.93556 0.17661 1.80165 90 3PZ -0.09835 0.88213 -0.49436 1.81942 -0.27191 91 4S -0.30095 0.92315 -3.41531 0.10099 -0.69939 92 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 4PY -0.53398 -0.02542 0.21996 -0.56729 0.07145 94 4PZ -0.53561 0.44651 0.13506 0.35682 -0.47479 95 5S -1.89053 -1.03142 9.95151 -3.16324 0.92782 96 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PY -0.12788 0.53520 -1.85449 0.49796 -0.43272 98 5PZ 0.62174 -1.20969 -0.62713 -0.11695 -0.17826 99 6D 0 -0.00049 -0.41332 0.28161 -0.50879 0.02122 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 -0.46644 0.42411 -0.31459 -0.04960 0.31053 102 6D+2 -0.11251 0.00726 -0.07223 -0.10662 0.22453 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 -0.94243 -0.17149 -0.77894 -0.69780 -0.00106 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 0.91770 -0.11506 1.42371 0.51903 0.90007 107 7D+2 -0.47990 -0.49463 -0.03712 -0.72236 -0.21517 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 5 C 1S 0.03189 0.00000 0.00636 0.03115 0.00000 110 2S 0.03211 0.00000 -0.00451 0.03768 0.00000 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY 0.00000 -0.22887 0.00000 0.00000 -0.58091 113 2PZ -0.42731 0.00000 -0.28929 -0.24684 0.00000 114 3S 0.13558 0.00000 0.48247 -0.23189 0.00000 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY 0.00000 0.42453 0.00000 0.00000 2.13822 117 3PZ 1.28109 0.00000 0.68547 0.96210 0.00000 118 4S -1.31069 0.00000 2.71689 -2.30171 0.00000 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY 0.00000 -0.78021 0.00000 0.00000 0.92646 121 4PZ 0.48470 0.00000 -0.70955 0.23853 0.00000 122 5S 1.08874 0.00000 -10.34458 4.90096 0.00000 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 5PY 0.00000 1.36091 0.00000 0.00000 -0.13967 125 5PZ 1.12220 0.00000 2.32857 -0.74285 0.00000 126 6D 0 0.46588 0.00000 0.17152 0.01317 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 -0.25580 0.00000 0.00000 -0.57296 129 6D+2 0.64177 0.00000 0.30950 0.20835 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 -1.86744 0.00000 -1.37664 -0.46250 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.00000 -0.14594 0.00000 0.00000 -0.65287 134 7D+2 -0.99167 0.00000 -0.97281 -0.10766 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S -0.00652 -0.01855 -0.00848 0.02268 -0.02936 137 2S 0.00240 -0.01504 0.00224 0.02774 -0.03246 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY -0.38741 -0.26416 -0.29379 -0.00470 -0.44525 140 2PZ -0.04695 0.26098 0.17999 -0.46197 -0.11033 141 3S -0.18736 0.18483 -0.25885 -0.46115 0.41946 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY 1.07364 1.07445 0.93556 -0.17661 1.80165 144 3PZ -0.09835 -0.88213 -0.49436 1.81942 0.27191 145 4S -0.30095 -0.92315 -3.41531 0.10099 0.69939 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY 0.53398 -0.02542 -0.21996 0.56729 0.07145 148 4PZ -0.53561 -0.44651 0.13506 0.35682 0.47479 149 5S -1.89053 1.03142 9.95151 -3.16324 -0.92782 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY 0.12788 0.53520 1.85449 -0.49796 -0.43272 152 5PZ 0.62174 1.20969 -0.62713 -0.11695 0.17826 153 6D 0 -0.00049 0.41332 0.28161 -0.50879 -0.02122 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.46644 0.42411 0.31459 0.04960 0.31053 156 6D+2 -0.11251 -0.00726 -0.07223 -0.10662 -0.22453 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 -0.94243 0.17149 -0.77894 -0.69780 0.00106 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 -0.91770 -0.11506 -1.42371 -0.51903 0.90007 161 7D+2 -0.47990 0.49463 -0.03712 -0.72236 0.21517 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S -0.06251 0.14347 -0.03053 -0.18655 0.21589 164 2S 0.05137 1.17111 0.13927 -1.12166 1.05123 165 3S 0.26691 -0.32100 0.10346 0.56876 -0.55924 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.27235 0.49298 0.22364 -0.37226 0.43206 168 4PZ -0.01023 -0.35678 -0.17150 0.24032 -0.18061 169 8 Mg 1S 0.00525 0.00000 0.00465 -0.00062 0.00000 170 2S 0.01720 0.00000 0.01559 -0.00221 0.00000 171 3S -0.09811 0.00000 -0.09452 0.01619 0.00000 172 4S 0.03788 0.00000 0.07198 -0.04068 0.00000 173 5S 0.44015 0.00000 0.46050 0.13367 0.00000 174 6S -0.83355 0.00000 -0.48518 0.76127 0.00000 175 7S 0.06093 0.00000 0.04999 0.05620 0.00000 176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PY 0.00000 0.01625 0.00000 0.00000 0.06241 178 7PZ 0.00388 0.00000 0.02235 -0.00582 0.00000 179 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY 0.00000 -0.00827 0.00000 0.00000 0.00346 181 8PZ -0.03442 0.00000 -0.02527 -0.01583 0.00000 182 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 9PY 0.00000 0.00544 0.00000 0.00000 -0.00513 184 9PZ 0.05942 0.00000 0.04168 0.01792 0.00000 185 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 186 10PY 0.00000 0.03510 0.00000 0.00000 0.01959 187 10PZ -0.60227 0.00000 -0.42193 -0.14046 0.00000 188 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 11PY 0.00000 0.02222 0.00000 0.00000 -0.05761 190 11PZ 0.35764 0.00000 0.29874 -0.10854 0.00000 191 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 192 12PY 0.00000 0.12508 0.00000 0.00000 0.05518 193 12PZ 0.75325 0.00000 0.13136 0.48950 0.00000 194 13D 0 0.29490 0.00000 0.19713 0.05668 0.00000 195 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 196 13D-1 0.00000 -0.03130 0.00000 0.00000 -0.02166 197 13D+2 0.01735 0.00000 0.01201 0.00775 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.51641 0.00000 0.16704 0.37622 0.00000 200 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 201 14D-1 0.00000 -0.08630 0.00000 0.00000 0.02908 202 14D+2 -0.01296 0.00000 0.01018 -0.01125 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S -0.00069 0.00000 -0.00053 -0.00039 0.00000 205 2S -0.00211 0.00000 -0.00161 -0.00117 0.00000 206 3S 0.00443 0.00000 0.00327 0.00236 0.00000 207 4S 0.01510 0.00000 0.01206 0.00901 0.00000 208 5S -0.04492 0.00000 -0.03644 -0.02750 0.00000 209 6S 0.02285 0.00000 0.02192 0.01773 0.00000 210 7S 0.11755 0.00000 0.06617 0.04575 0.00000 211 8S -0.56935 0.00000 -0.28875 -0.27991 0.00000 212 9S -0.60153 0.00000 -0.09956 -0.71463 0.00000 213 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 214 9PY 0.00000 -0.04554 0.00000 0.00000 -0.05210 215 9PZ 0.13409 0.00000 -0.01553 0.21883 0.00000 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 -0.00001 0.00000 0.00000 0.00008 218 10PZ -0.00055 0.00000 -0.00027 -0.00018 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 -0.00007 0.00000 0.00000 0.00074 221 11PZ -0.00471 0.00000 -0.00237 -0.00156 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00031 0.00000 0.00000 -0.00256 224 12PZ 0.01524 0.00000 0.00786 0.00524 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 -0.00102 0.00000 0.00000 0.00132 227 13PZ 0.00373 0.00000 -0.00041 -0.00098 0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 0.00211 0.00000 0.00000 0.00594 230 14PZ -0.06267 0.00000 -0.02661 -0.01670 0.00000 231 15PX 0.00000 0.00000 0.00000 0.00000 0.00000 232 15PY 0.00000 -0.00706 0.00000 0.00000 -0.01519 233 15PZ 0.10956 0.00000 0.04525 0.03592 0.00000 234 16PX 0.00000 0.00000 0.00000 0.00000 0.00000 235 16PY 0.00000 0.03849 0.00000 0.00000 0.02271 236 16PZ 0.21945 0.00000 0.14252 0.10392 0.00000 237 17D 0 0.00652 0.00000 0.00187 0.00521 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 -0.00433 0.00000 0.00000 -0.00196 240 17D+2 0.00123 0.00000 -0.00079 -0.00063 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 -0.01417 0.00000 -0.00589 -0.01060 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00594 0.00000 0.00000 0.00336 245 18D+2 -0.00190 0.00000 0.00133 0.00124 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00885 0.00000 0.00688 0.00364 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00302 0.00000 0.00000 0.00019 250 19D+2 -0.00028 0.00000 0.00001 -0.00032 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 -0.03587 0.00000 -0.02876 -0.00080 0.00000 253 20D+1 0.00000 0.00000 0.00000 0.00000 0.00000 254 20D-1 0.00000 -0.01984 0.00000 0.00000 -0.00573 255 20D+2 0.00322 0.00000 -0.00196 -0.00082 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S -0.06251 -0.14347 -0.03053 -0.18655 -0.21589 258 2S 0.05137 -1.17111 0.13927 -1.12166 -1.05123 259 3S 0.26691 0.32100 0.10346 0.56876 0.55924 260 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 261 4PY -0.27235 0.49298 -0.22364 0.37226 0.43206 262 4PZ -0.01023 0.35678 -0.17150 0.24032 0.18061 263 11 H 1S 0.10495 0.13305 0.02107 0.11112 -0.19063 264 2S 0.79313 1.14009 -0.41607 0.55174 -1.05295 265 3S -0.29883 -0.23072 -0.11412 -0.26429 0.33570 266 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 267 4PY -0.34902 -0.51000 0.37389 -0.17482 0.42465 268 4PZ 0.06006 0.35775 -0.18032 0.17316 -0.23716 269 12 H 1S -0.08795 0.00000 -0.00312 0.26727 0.00000 270 2S -1.04130 0.00000 0.56753 1.35409 0.00000 271 3S 0.09138 0.00000 0.07460 -0.51372 0.00000 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 -0.13593 0.00000 0.00000 0.07211 274 4PZ -0.53127 0.00000 0.49376 0.64312 0.00000 275 13 H 1S 0.10495 -0.13305 0.02107 0.11112 0.19063 276 2S 0.79313 -1.14009 -0.41607 0.55174 1.05295 277 3S -0.29883 0.23072 -0.11412 -0.26429 -0.33570 278 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 4PY 0.34902 -0.51000 -0.37389 0.17482 0.42465 280 4PZ 0.06006 -0.35775 -0.18032 0.17316 0.23716 256 257 258 259 260 (B2)--V (B1)--V (B2)--V (A1)--V (A2)--V Eigenvalues -- 5.24933 5.76426 5.88052 6.13181 6.21282 1 1 C 1S 0.00365 0.00000 0.00236 -0.00378 0.00000 2 2S 0.00482 0.00000 0.00264 -0.00455 0.00000 3 2PX 0.00000 0.01255 0.00000 0.00000 0.00046 4 2PY 0.28647 0.00000 -0.02090 -0.00441 0.00000 5 2PZ -0.49648 0.00000 0.02153 -0.00973 0.00000 6 3S -0.09903 0.00000 -0.05366 0.14311 0.00000 7 3PX 0.00000 -0.03578 0.00000 0.00000 -0.00107 8 3PY -1.27165 0.00000 0.09629 0.01837 0.00000 9 3PZ 2.10929 0.00000 -0.13428 0.14913 0.00000 10 4S -0.09950 0.00000 0.22000 -0.90379 0.00000 11 4PX 0.00000 -0.02134 0.00000 0.00000 -0.00018 12 4PY -1.21561 0.00000 -0.16138 -0.40514 0.00000 13 4PZ 2.42544 0.00000 0.37190 -0.19595 0.00000 14 5S -0.13698 0.00000 1.30571 -8.77784 0.00000 15 5PX 0.00000 -0.12310 0.00000 0.00000 0.03269 16 5PY 2.11850 0.00000 2.49545 -0.61588 0.00000 17 5PZ -3.76624 0.00000 -2.39086 -1.68750 0.00000 18 6D 0 0.34584 0.00000 -0.02260 0.02479 0.00000 19 6D+1 0.00000 -0.00145 0.00000 0.00000 -0.00116 20 6D-1 0.24558 0.00000 -0.00858 0.01098 0.00000 21 6D+2 0.20697 0.00000 -0.01706 0.00809 0.00000 22 6D-2 0.00000 -0.00057 0.00000 0.00000 0.00016 23 7D 0 1.06273 0.00000 -0.00564 -0.05554 0.00000 24 7D+1 0.00000 -0.02892 0.00000 0.00000 0.00104 25 7D-1 0.93373 0.00000 0.00919 -0.00994 0.00000 26 7D+2 0.61845 0.00000 0.03029 0.01089 0.00000 27 7D-2 0.00000 -0.01436 0.00000 0.00000 -0.00079 28 2 C 1S 0.00000 0.00000 0.00000 -0.00083 0.00000 29 2S 0.00000 0.00000 0.00000 0.00024 0.00000 30 2PX 0.00000 -0.00190 0.00000 0.00000 0.00000 31 2PY 0.60079 0.00000 -0.01863 0.00000 0.00000 32 2PZ 0.00000 0.00000 0.00000 -0.01673 0.00000 33 3S 0.00000 0.00000 0.00000 -0.05059 0.00000 34 3PX 0.00000 0.00488 0.00000 0.00000 0.00000 35 3PY -2.65532 0.00000 0.06560 0.00000 0.00000 36 3PZ 0.00000 0.00000 0.00000 0.04641 0.00000 37 4S 0.00000 0.00000 0.00000 0.90056 0.00000 38 4PX 0.00000 0.01161 0.00000 0.00000 0.00000 39 4PY -2.78498 0.00000 -0.16977 0.00000 0.00000 40 4PZ 0.00000 0.00000 0.00000 0.27680 0.00000 41 5S 0.00000 0.00000 0.00000 3.63855 0.00000 42 5PX 0.00000 0.09188 0.00000 0.00000 0.00000 43 5PY 4.31000 0.00000 3.00519 0.00000 0.00000 44 5PZ 0.00000 0.00000 0.00000 0.92994 0.00000 45 6D 0 0.00000 0.00000 0.00000 0.00644 0.00000 46 6D+1 0.00000 -0.00115 0.00000 0.00000 0.00000 47 6D-1 -0.48272 0.00000 0.01102 0.00000 0.00000 48 6D+2 0.00000 0.00000 0.00000 0.00628 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00093 50 7D 0 0.00000 0.00000 0.00000 -0.05652 0.00000 51 7D+1 0.00000 0.01757 0.00000 0.00000 0.00000 52 7D-1 -1.45734 0.00000 0.07743 0.00000 0.00000 53 7D+2 0.00000 0.00000 0.00000 -0.09591 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00075 55 3 C 1S -0.00365 0.00000 -0.00236 -0.00378 0.00000 56 2S -0.00482 0.00000 -0.00264 -0.00455 0.00000 57 2PX 0.00000 0.01255 0.00000 0.00000 -0.00046 58 2PY 0.28647 0.00000 -0.02090 0.00441 0.00000 59 2PZ 0.49648 0.00000 -0.02153 -0.00973 0.00000 60 3S 0.09903 0.00000 0.05366 0.14311 0.00000 61 3PX 0.00000 -0.03578 0.00000 0.00000 0.00107 62 3PY -1.27165 0.00000 0.09629 -0.01837 0.00000 63 3PZ -2.10929 0.00000 0.13428 0.14913 0.00000 64 4S 0.09950 0.00000 -0.22000 -0.90379 0.00000 65 4PX 0.00000 -0.02134 0.00000 0.00000 0.00018 66 4PY -1.21561 0.00000 -0.16138 0.40514 0.00000 67 4PZ -2.42544 0.00000 -0.37190 -0.19595 0.00000 68 5S 0.13698 0.00000 -1.30571 -8.77784 0.00000 69 5PX 0.00000 -0.12310 0.00000 0.00000 -0.03269 70 5PY 2.11850 0.00000 2.49545 0.61588 0.00000 71 5PZ 3.76624 0.00000 2.39086 -1.68750 0.00000 72 6D 0 -0.34584 0.00000 0.02260 0.02479 0.00000 73 6D+1 0.00000 -0.00145 0.00000 0.00000 0.00116 74 6D-1 0.24558 0.00000 -0.00858 -0.01098 0.00000 75 6D+2 -0.20697 0.00000 0.01706 0.00809 0.00000 76 6D-2 0.00000 0.00057 0.00000 0.00000 0.00016 77 7D 0 -1.06273 0.00000 0.00564 -0.05554 0.00000 78 7D+1 0.00000 -0.02892 0.00000 0.00000 -0.00104 79 7D-1 0.93373 0.00000 0.00919 0.00994 0.00000 80 7D+2 -0.61845 0.00000 -0.03029 0.01089 0.00000 81 7D-2 0.00000 0.01436 0.00000 0.00000 -0.00079 82 4 C 1S -0.00500 0.00000 -0.00349 0.00193 0.00000 83 2S -0.00776 0.00000 -0.00474 0.00131 0.00000 84 2PX 0.00000 -0.01218 0.00000 0.00000 0.00165 85 2PY -0.23475 0.00000 0.01619 0.00867 0.00000 86 2PZ 0.50748 0.00000 -0.01985 -0.02123 0.00000 87 3S 0.17103 0.00000 0.16844 0.00036 0.00000 88 3PX 0.00000 0.03657 0.00000 0.00000 -0.00468 89 3PY 0.95538 0.00000 -0.13147 -0.03972 0.00000 90 3PZ -2.15179 0.00000 0.10620 0.06788 0.00000 91 4S 0.20689 0.00000 -0.42318 1.08034 0.00000 92 4PX 0.00000 0.04508 0.00000 0.00000 -0.00390 93 4PY 1.04356 0.00000 0.22144 -1.06736 0.00000 94 4PZ -2.37213 0.00000 -0.64165 -0.36929 0.00000 95 5S -2.14289 0.00000 20.82751 9.22334 0.00000 96 5PX 0.00000 0.19145 0.00000 0.00000 0.04845 97 5PY -1.80209 0.00000 -5.43761 -0.77943 0.00000 98 5PZ 3.49079 0.00000 6.64563 -2.10932 0.00000 99 6D 0 0.34449 0.00000 0.00986 0.04663 0.00000 100 6D+1 0.00000 0.01910 0.00000 0.00000 -0.00200 101 6D-1 0.17885 0.00000 -0.02829 -0.01515 0.00000 102 6D+2 0.17071 0.00000 -0.01444 0.01234 0.00000 103 6D-2 0.00000 0.00985 0.00000 0.00000 0.00061 104 7D 0 0.88360 0.00000 -0.16166 -0.25885 0.00000 105 7D+1 0.00000 -0.05967 0.00000 0.00000 0.00054 106 7D-1 0.86667 0.00000 0.03954 -0.08713 0.00000 107 7D+2 0.57972 0.00000 0.03035 -0.04736 0.00000 108 7D-2 0.00000 -0.05918 0.00000 0.00000 0.00217 109 5 C 1S 0.00000 0.00000 0.00000 0.00802 0.00000 110 2S 0.00000 0.00000 0.00000 0.01121 0.00000 111 2PX 0.00000 -0.00799 0.00000 0.00000 0.00000 112 2PY -0.54263 0.00000 0.02949 0.00000 0.00000 113 2PZ 0.00000 0.00000 0.00000 -0.07012 0.00000 114 3S 0.00000 0.00000 0.00000 -0.30443 0.00000 115 3PX 0.00000 0.00876 0.00000 0.00000 0.00000 116 3PY 2.31869 0.00000 -0.08409 0.00000 0.00000 117 3PZ 0.00000 0.00000 0.00000 0.13981 0.00000 118 4S 0.00000 0.00000 0.00000 -1.00441 0.00000 119 4PX 0.00000 -0.09567 0.00000 0.00000 0.00000 120 4PY 2.41365 0.00000 0.68566 0.00000 0.00000 121 4PZ 0.00000 0.00000 0.00000 2.18166 0.00000 122 5S 0.00000 0.00000 0.00000 -6.33755 0.00000 123 5PX 0.00000 -0.20509 0.00000 0.00000 0.00000 124 5PY -2.91241 0.00000 -16.27240 0.00000 0.00000 125 5PZ 0.00000 0.00000 0.00000 0.38745 0.00000 126 6D 0 0.00000 0.00000 0.00000 -0.03937 0.00000 127 6D+1 0.00000 -0.03763 0.00000 0.00000 0.00000 128 6D-1 -0.44797 0.00000 -0.02904 0.00000 0.00000 129 6D+2 0.00000 0.00000 0.00000 0.04272 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00607 131 7D 0 0.00000 0.00000 0.00000 0.26938 0.00000 132 7D+1 0.00000 0.12628 0.00000 0.00000 0.00000 133 7D-1 -1.10299 0.00000 0.26269 0.00000 0.00000 134 7D+2 0.00000 0.00000 0.00000 -0.10266 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.01504 136 6 C 1S 0.00500 0.00000 0.00349 0.00193 0.00000 137 2S 0.00776 0.00000 0.00474 0.00131 0.00000 138 2PX 0.00000 -0.01218 0.00000 0.00000 -0.00165 139 2PY -0.23475 0.00000 0.01619 -0.00867 0.00000 140 2PZ -0.50748 0.00000 0.01985 -0.02123 0.00000 141 3S -0.17103 0.00000 -0.16844 0.00036 0.00000 142 3PX 0.00000 0.03657 0.00000 0.00000 0.00468 143 3PY 0.95538 0.00000 -0.13147 0.03972 0.00000 144 3PZ 2.15179 0.00000 -0.10620 0.06788 0.00000 145 4S -0.20689 0.00000 0.42318 1.08034 0.00000 146 4PX 0.00000 0.04508 0.00000 0.00000 0.00390 147 4PY 1.04356 0.00000 0.22144 1.06736 0.00000 148 4PZ 2.37213 0.00000 0.64165 -0.36929 0.00000 149 5S 2.14289 0.00000 -20.82751 9.22334 0.00000 150 5PX 0.00000 0.19145 0.00000 0.00000 -0.04845 151 5PY -1.80209 0.00000 -5.43761 0.77943 0.00000 152 5PZ -3.49079 0.00000 -6.64563 -2.10932 0.00000 153 6D 0 -0.34449 0.00000 -0.00986 0.04663 0.00000 154 6D+1 0.00000 0.01910 0.00000 0.00000 0.00200 155 6D-1 0.17885 0.00000 -0.02829 0.01515 0.00000 156 6D+2 -0.17071 0.00000 0.01444 0.01234 0.00000 157 6D-2 0.00000 -0.00985 0.00000 0.00000 0.00061 158 7D 0 -0.88360 0.00000 0.16166 -0.25885 0.00000 159 7D+1 0.00000 -0.05967 0.00000 0.00000 -0.00054 160 7D-1 0.86667 0.00000 0.03954 0.08713 0.00000 161 7D+2 -0.57972 0.00000 -0.03035 -0.04736 0.00000 162 7D-2 0.00000 0.05918 0.00000 0.00000 0.00217 163 7 H 1S 0.00122 0.00000 0.02573 -0.02550 0.00000 164 2S -0.07758 0.00000 -0.18780 0.25333 0.00000 165 3S -0.07939 0.00000 0.23077 0.31366 0.00000 166 4PX 0.00000 0.01993 0.00000 0.00000 0.00012 167 4PY 0.03311 0.00000 -0.03217 0.04810 0.00000 168 4PZ 0.15089 0.00000 -0.01607 0.02629 0.00000 169 8 Mg 1S 0.00000 0.00000 0.00000 0.00172 0.00000 170 2S 0.00000 0.00000 0.00000 0.00680 0.00000 171 3S 0.00000 0.00000 0.00000 -0.05571 0.00000 172 4S 0.00000 0.00000 0.00000 0.12400 0.00000 173 5S 0.00000 0.00000 0.00000 -1.00484 0.00000 174 6S 0.00000 0.00000 0.00000 2.82715 0.00000 175 7S 0.00000 0.00000 0.00000 0.01282 0.00000 176 7PX 0.00000 0.12987 0.00000 0.00000 0.00000 177 7PY 0.00555 0.00000 0.01198 0.00000 0.00000 178 7PZ 0.00000 0.00000 0.00000 -0.03158 0.00000 179 8PX 0.00000 -1.13410 0.00000 0.00000 0.00000 180 8PY -0.03571 0.00000 -1.13669 0.00000 0.00000 181 8PZ 0.00000 0.00000 0.00000 1.11475 0.00000 182 9PX 0.00000 1.32529 0.00000 0.00000 0.00000 183 9PY 0.03225 0.00000 1.36141 0.00000 0.00000 184 9PZ 0.00000 0.00000 0.00000 -1.41175 0.00000 185 10PX 0.00000 -1.03907 0.00000 0.00000 0.00000 186 10PY 0.01900 0.00000 -1.30386 0.00000 0.00000 187 10PZ 0.00000 0.00000 0.00000 1.89908 0.00000 188 11PX 0.00000 0.84650 0.00000 0.00000 0.00000 189 11PY -0.07050 0.00000 1.53778 0.00000 0.00000 190 11PZ 0.00000 0.00000 0.00000 -0.76198 0.00000 191 12PX 0.00000 -0.45584 0.00000 0.00000 0.00000 192 12PY -0.10144 0.00000 0.32050 0.00000 0.00000 193 12PZ 0.00000 0.00000 0.00000 0.34931 0.00000 194 13D 0 0.00000 0.00000 0.00000 -0.20439 0.00000 195 13D+1 0.00000 0.02816 0.00000 0.00000 0.00000 196 13D-1 -0.07256 0.00000 0.11867 0.00000 0.00000 197 13D+2 0.00000 0.00000 0.00000 0.00857 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00754 199 14D 0 0.00000 0.00000 0.00000 -0.17140 0.00000 200 14D+1 0.00000 -0.01382 0.00000 0.00000 0.00000 201 14D-1 0.05522 0.00000 -0.32993 0.00000 0.00000 202 14D+2 0.00000 0.00000 0.00000 -0.04023 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 -0.05691 204 9 Br 1S 0.00000 0.00000 0.00000 0.00159 0.00000 205 2S 0.00000 0.00000 0.00000 0.00468 0.00000 206 3S 0.00000 0.00000 0.00000 -0.00795 0.00000 207 4S 0.00000 0.00000 0.00000 -0.04481 0.00000 208 5S 0.00000 0.00000 0.00000 0.14854 0.00000 209 6S 0.00000 0.00000 0.00000 -0.15237 0.00000 210 7S 0.00000 0.00000 0.00000 0.18589 0.00000 211 8S 0.00000 0.00000 0.00000 -0.03277 0.00000 212 9S 0.00000 0.00000 0.00000 -1.09252 0.00000 213 9PX 0.00000 0.06093 0.00000 0.00000 0.00000 214 9PY 0.01753 0.00000 -0.02478 0.00000 0.00000 215 9PZ 0.00000 0.00000 0.00000 0.41618 0.00000 216 10PX 0.00000 -0.00050 0.00000 0.00000 0.00000 217 10PY -0.00011 0.00000 -0.00045 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00000 -0.00143 0.00000 219 11PX 0.00000 -0.00453 0.00000 0.00000 0.00000 220 11PY -0.00101 0.00000 -0.00407 0.00000 0.00000 221 11PZ 0.00000 0.00000 0.00000 -0.01279 0.00000 222 12PX 0.00000 0.01708 0.00000 0.00000 0.00000 223 12PY 0.00373 0.00000 0.01552 0.00000 0.00000 224 12PZ 0.00000 0.00000 0.00000 0.04727 0.00000 225 13PX 0.00000 -0.02618 0.00000 0.00000 0.00000 226 13PY -0.00530 0.00000 -0.02563 0.00000 0.00000 227 13PZ 0.00000 0.00000 0.00000 -0.05489 0.00000 228 14PX 0.00000 0.00486 0.00000 0.00000 0.00000 229 14PY 0.00095 0.00000 0.00910 0.00000 0.00000 230 14PZ 0.00000 0.00000 0.00000 -0.04075 0.00000 231 15PX 0.00000 0.01440 0.00000 0.00000 0.00000 232 15PY -0.00117 0.00000 0.00411 0.00000 0.00000 233 15PZ 0.00000 0.00000 0.00000 0.07046 0.00000 234 16PX 0.00000 -0.04451 0.00000 0.00000 0.00000 235 16PY 0.00904 0.00000 0.01220 0.00000 0.00000 236 16PZ 0.00000 0.00000 0.00000 0.15255 0.00000 237 17D 0 0.00000 0.00000 0.00000 0.18333 0.00000 238 17D+1 0.00000 0.01685 0.00000 0.00000 0.00000 239 17D-1 -0.00645 0.00000 -0.01104 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00000 0.03316 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 -0.84608 242 18D 0 0.00000 0.00000 0.00000 -0.59533 0.00000 243 18D+1 0.00000 -0.05240 0.00000 0.00000 0.00000 244 18D-1 0.01388 0.00000 0.02801 0.00000 0.00000 245 18D+2 0.00000 0.00000 0.00000 -0.10329 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 2.68528 247 19D 0 0.00000 0.00000 0.00000 0.52109 0.00000 248 19D+1 0.00000 0.04442 0.00000 0.00000 0.00000 249 19D-1 -0.00425 0.00000 -0.01378 0.00000 0.00000 250 19D+2 0.00000 0.00000 0.00000 0.08306 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 -2.21033 252 20D 0 0.00000 0.00000 0.00000 -0.31324 0.00000 253 20D+1 0.00000 -0.01084 0.00000 0.00000 0.00000 254 20D-1 -0.01508 0.00000 -0.02199 0.00000 0.00000 255 20D+2 0.00000 0.00000 0.00000 -0.00957 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.37024 257 10 H 1S -0.00122 0.00000 -0.02573 -0.02550 0.00000 258 2S 0.07758 0.00000 0.18780 0.25333 0.00000 259 3S 0.07939 0.00000 -0.23077 0.31366 0.00000 260 4PX 0.00000 0.01993 0.00000 0.00000 -0.00012 261 4PY 0.03311 0.00000 -0.03217 -0.04810 0.00000 262 4PZ -0.15089 0.00000 0.01607 0.02629 0.00000 263 11 H 1S 0.02534 0.00000 -0.00329 0.00788 0.00000 264 2S 0.06434 0.00000 -0.03114 0.01309 0.00000 265 3S -0.09069 0.00000 0.07245 -0.02043 0.00000 266 4PX 0.00000 -0.00479 0.00000 0.00000 0.00054 267 4PY -0.12203 0.00000 0.00822 -0.03110 0.00000 268 4PZ -0.16085 0.00000 -0.00071 0.00216 0.00000 269 12 H 1S 0.00000 0.00000 0.00000 0.01235 0.00000 270 2S 0.00000 0.00000 0.00000 0.01547 0.00000 271 3S 0.00000 0.00000 0.00000 0.03025 0.00000 272 4PX 0.00000 0.00502 0.00000 0.00000 0.00000 273 4PY -0.16609 0.00000 0.01585 0.00000 0.00000 274 4PZ 0.00000 0.00000 0.00000 0.00509 0.00000 275 13 H 1S -0.02534 0.00000 0.00329 0.00788 0.00000 276 2S -0.06434 0.00000 0.03114 0.01309 0.00000 277 3S 0.09069 0.00000 -0.07245 -0.02043 0.00000 278 4PX 0.00000 -0.00479 0.00000 0.00000 -0.00054 279 4PY -0.12203 0.00000 0.00822 0.03110 0.00000 280 4PZ 0.16085 0.00000 0.00071 0.00216 0.00000 261 262 263 264 265 (A1)--V (B1)--V (B2)--V (A1)--V (A1)--V Eigenvalues -- 6.21865 6.30118 6.32658 6.32952 6.87912 1 1 C 1S -0.00005 0.00000 -0.00040 -0.00098 0.00045 2 2S 0.00001 0.00000 -0.00015 -0.00119 -0.00004 3 2PX 0.00000 -0.00127 0.00000 0.00000 0.00000 4 2PY 0.00145 0.00000 -0.00654 0.00353 0.00912 5 2PZ 0.00198 0.00000 0.02014 -0.00336 -0.00447 6 3S 0.00208 0.00000 0.01809 0.04230 0.00594 7 3PX 0.00000 0.00271 0.00000 0.00000 0.00000 8 3PY -0.00610 0.00000 0.02249 -0.00876 -0.02181 9 3PZ -0.00522 0.00000 -0.08601 0.03690 0.04167 10 4S -0.23644 0.00000 -0.63418 -0.11985 0.51377 11 4PX 0.00000 -0.00200 0.00000 0.00000 0.00000 12 4PY 0.01803 0.00000 -0.05205 -0.07874 0.02012 13 4PZ -0.09867 0.00000 -0.45003 -0.02723 0.28254 14 5S -0.07534 0.00000 -0.56755 -2.12845 1.70713 15 5PX 0.00000 -0.05684 0.00000 0.00000 0.00000 16 5PY 0.31672 0.00000 0.07745 0.04050 0.75666 17 5PZ -0.27456 0.00000 -0.26088 -0.58808 -0.13278 18 6D 0 0.00320 0.00000 0.00818 0.00474 -0.00898 19 6D+1 0.00000 0.00097 0.00000 0.00000 0.00000 20 6D-1 -0.00097 0.00000 0.00177 0.00104 -0.00014 21 6D+2 -0.00079 0.00000 0.00039 0.00048 0.00287 22 6D-2 0.00000 0.00204 0.00000 0.00000 0.00000 23 7D 0 -0.02986 0.00000 -0.08695 0.01960 0.13676 24 7D+1 0.00000 -0.00274 0.00000 0.00000 0.00000 25 7D-1 0.01540 0.00000 -0.00450 -0.03423 -0.11406 26 7D+2 -0.00587 0.00000 -0.01706 0.02663 0.04118 27 7D-2 0.00000 -0.00401 0.00000 0.00000 0.00000 28 2 C 1S 0.00017 0.00000 0.00000 -0.00101 -0.00078 29 2S 0.00019 0.00000 0.00000 -0.00079 -0.00063 30 2PX 0.00000 -0.00048 0.00000 0.00000 0.00000 31 2PY 0.00000 0.00000 0.00672 0.00000 0.00000 32 2PZ 0.00257 0.00000 0.00000 -0.00822 -0.00985 33 3S -0.00767 0.00000 0.00000 0.01073 0.02500 34 3PX 0.00000 0.00125 0.00000 0.00000 0.00000 35 3PY 0.00000 0.00000 -0.00408 0.00000 0.00000 36 3PZ -0.00986 0.00000 0.00000 0.03809 0.06174 37 4S 0.04190 0.00000 0.00000 0.09956 -0.30927 38 4PX 0.00000 0.00259 0.00000 0.00000 0.00000 39 4PY 0.00000 0.00000 0.13049 0.00000 0.00000 40 4PZ 0.05106 0.00000 0.00000 0.04144 -0.12038 41 5S -1.32081 0.00000 0.00000 0.12499 -3.06157 42 5PX 0.00000 0.03726 0.00000 0.00000 0.00000 43 5PY 0.00000 0.00000 0.21148 0.00000 0.00000 44 5PZ -0.12572 0.00000 0.00000 0.19008 -0.31747 45 6D 0 0.00116 0.00000 0.00000 0.00136 0.00274 46 6D+1 0.00000 0.00036 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00000 0.00981 0.00000 0.00000 48 6D+2 0.00146 0.00000 0.00000 -0.00280 -0.00536 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 -0.02156 0.00000 0.00000 0.01052 0.04878 51 7D+1 0.00000 0.00095 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.00000 0.02569 0.00000 0.00000 53 7D+2 -0.02087 0.00000 0.00000 0.00834 0.07493 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S -0.00005 0.00000 0.00040 -0.00098 0.00045 56 2S 0.00001 0.00000 0.00015 -0.00119 -0.00004 57 2PX 0.00000 -0.00127 0.00000 0.00000 0.00000 58 2PY -0.00145 0.00000 -0.00654 -0.00353 -0.00912 59 2PZ 0.00198 0.00000 -0.02014 -0.00336 -0.00447 60 3S 0.00208 0.00000 -0.01809 0.04230 0.00594 61 3PX 0.00000 0.00271 0.00000 0.00000 0.00000 62 3PY 0.00610 0.00000 0.02249 0.00876 0.02181 63 3PZ -0.00522 0.00000 0.08601 0.03690 0.04167 64 4S -0.23644 0.00000 0.63418 -0.11985 0.51377 65 4PX 0.00000 -0.00200 0.00000 0.00000 0.00000 66 4PY -0.01803 0.00000 -0.05205 0.07874 -0.02012 67 4PZ -0.09867 0.00000 0.45003 -0.02723 0.28254 68 5S -0.07534 0.00000 0.56755 -2.12845 1.70713 69 5PX 0.00000 -0.05684 0.00000 0.00000 0.00000 70 5PY -0.31672 0.00000 0.07745 -0.04050 -0.75666 71 5PZ -0.27456 0.00000 0.26088 -0.58808 -0.13278 72 6D 0 0.00320 0.00000 -0.00818 0.00474 -0.00898 73 6D+1 0.00000 0.00097 0.00000 0.00000 0.00000 74 6D-1 0.00097 0.00000 0.00177 -0.00104 0.00014 75 6D+2 -0.00079 0.00000 -0.00039 0.00048 0.00287 76 6D-2 0.00000 -0.00204 0.00000 0.00000 0.00000 77 7D 0 -0.02986 0.00000 0.08695 0.01960 0.13676 78 7D+1 0.00000 -0.00274 0.00000 0.00000 0.00000 79 7D-1 -0.01540 0.00000 -0.00450 0.03423 0.11406 80 7D+2 -0.00587 0.00000 0.01706 0.02663 0.04118 81 7D-2 0.00000 0.00401 0.00000 0.00000 0.00000 82 4 C 1S -0.00002 0.00000 -0.00032 -0.00036 0.00077 83 2S -0.00007 0.00000 -0.00021 -0.00013 0.00157 84 2PX 0.00000 -0.00126 0.00000 0.00000 0.00000 85 2PY 0.00066 0.00000 -0.00462 0.00774 0.01445 86 2PZ -0.00027 0.00000 0.00151 -0.00704 -0.01063 87 3S 0.00827 0.00000 0.02218 -0.01521 -0.06787 88 3PX 0.00000 0.00674 0.00000 0.00000 0.00000 89 3PY -0.00335 0.00000 0.01749 -0.02285 -0.03904 90 3PZ -0.00824 0.00000 0.03267 0.02677 0.05646 91 4S 0.07542 0.00000 -1.08154 0.16890 0.02465 92 4PX 0.00000 -0.03897 0.00000 0.00000 0.00000 93 4PY 0.07118 0.00000 0.17121 -0.16197 -0.49313 94 4PZ -0.18109 0.00000 0.39947 -0.04398 0.13717 95 5S -0.37685 0.00000 -1.51913 1.98743 -0.16032 96 5PX 0.00000 0.03971 0.00000 0.00000 0.00000 97 5PY 0.41491 0.00000 -0.02657 0.05951 0.35202 98 5PZ -0.60249 0.00000 0.34060 -0.77265 -0.90227 99 6D 0 0.00101 0.00000 0.00199 0.00221 0.00008 100 6D+1 0.00000 -0.00029 0.00000 0.00000 0.00000 101 6D-1 -0.00255 0.00000 -0.00708 -0.00459 -0.00186 102 6D+2 -0.00232 0.00000 0.00009 -0.00123 0.01480 103 6D-2 0.00000 -0.00988 0.00000 0.00000 0.00000 104 7D 0 0.01735 0.00000 -0.09043 -0.07948 -0.17201 105 7D+1 0.00000 -0.00276 0.00000 0.00000 0.00000 106 7D-1 -0.00873 0.00000 0.02080 0.03244 0.13100 107 7D+2 0.02438 0.00000 -0.02352 -0.05392 -0.15446 108 7D-2 0.00000 0.01212 0.00000 0.00000 0.00000 109 5 C 1S 0.00005 0.00000 0.00000 -0.00148 -0.00350 110 2S 0.00014 0.00000 0.00000 -0.00072 -0.00307 111 2PX 0.00000 0.01639 0.00000 0.00000 0.00000 112 2PY 0.00000 0.00000 0.02198 0.00000 0.00000 113 2PZ 0.00262 0.00000 0.00000 -0.03422 0.00827 114 3S -0.01045 0.00000 0.00000 0.03267 0.14878 115 3PX 0.00000 -0.04660 0.00000 0.00000 0.00000 116 3PY 0.00000 0.00000 -0.06603 0.00000 0.00000 117 3PZ -0.01991 0.00000 0.00000 0.11825 0.03161 118 4S 0.22338 0.00000 0.00000 -0.63236 -1.64952 119 4PX 0.00000 0.19067 0.00000 0.00000 0.00000 120 4PY 0.00000 0.00000 0.58501 0.00000 0.00000 121 4PZ 0.00138 0.00000 0.00000 0.00411 0.56660 122 5S 2.33707 0.00000 0.00000 -0.88573 4.24380 123 5PX 0.00000 0.06878 0.00000 0.00000 0.00000 124 5PY 0.00000 0.00000 0.80650 0.00000 0.00000 125 5PZ 0.14691 0.00000 0.00000 -0.07675 3.59397 126 6D 0 -0.00395 0.00000 0.00000 0.02141 0.04180 127 6D+1 0.00000 -0.02204 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00000 0.00303 0.00000 0.00000 129 6D+2 0.00306 0.00000 0.00000 0.01596 0.01705 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.03233 0.00000 0.00000 -0.09195 -0.34749 132 7D+1 0.00000 0.04718 0.00000 0.00000 0.00000 133 7D-1 0.00000 0.00000 -0.00975 0.00000 0.00000 134 7D+2 -0.00772 0.00000 0.00000 -0.04724 -0.09705 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S -0.00002 0.00000 0.00032 -0.00036 0.00077 137 2S -0.00007 0.00000 0.00021 -0.00013 0.00157 138 2PX 0.00000 -0.00126 0.00000 0.00000 0.00000 139 2PY -0.00066 0.00000 -0.00462 -0.00774 -0.01445 140 2PZ -0.00027 0.00000 -0.00151 -0.00704 -0.01063 141 3S 0.00827 0.00000 -0.02218 -0.01521 -0.06787 142 3PX 0.00000 0.00674 0.00000 0.00000 0.00000 143 3PY 0.00335 0.00000 0.01749 0.02285 0.03904 144 3PZ -0.00824 0.00000 -0.03267 0.02677 0.05646 145 4S 0.07542 0.00000 1.08154 0.16890 0.02465 146 4PX 0.00000 -0.03897 0.00000 0.00000 0.00000 147 4PY -0.07118 0.00000 0.17121 0.16197 0.49313 148 4PZ -0.18109 0.00000 -0.39947 -0.04398 0.13717 149 5S -0.37685 0.00000 1.51913 1.98743 -0.16032 150 5PX 0.00000 0.03971 0.00000 0.00000 0.00000 151 5PY -0.41491 0.00000 -0.02657 -0.05951 -0.35202 152 5PZ -0.60249 0.00000 -0.34060 -0.77265 -0.90227 153 6D 0 0.00101 0.00000 -0.00199 0.00221 0.00008 154 6D+1 0.00000 -0.00029 0.00000 0.00000 0.00000 155 6D-1 0.00255 0.00000 -0.00708 0.00459 0.00186 156 6D+2 -0.00232 0.00000 -0.00009 -0.00123 0.01480 157 6D-2 0.00000 0.00988 0.00000 0.00000 0.00000 158 7D 0 0.01735 0.00000 0.09043 -0.07948 -0.17201 159 7D+1 0.00000 -0.00276 0.00000 0.00000 0.00000 160 7D-1 0.00873 0.00000 0.02080 -0.03244 -0.13100 161 7D+2 0.02438 0.00000 0.02352 -0.05392 -0.15446 162 7D-2 0.00000 -0.01212 0.00000 0.00000 0.00000 163 7 H 1S -0.00380 0.00000 -0.00497 -0.00730 -0.02254 164 2S 0.04659 0.00000 0.07484 -0.02119 -0.08912 165 3S -0.04216 0.00000 -0.06167 0.05429 0.20340 166 4PX 0.00000 0.00291 0.00000 0.00000 0.00000 167 4PY 0.00691 0.00000 0.00348 -0.00091 -0.00856 168 4PZ 0.00033 0.00000 -0.00825 0.01398 0.01709 169 8 Mg 1S 0.00012 0.00000 0.00000 -0.00273 -0.00308 170 2S 0.00046 0.00000 0.00000 -0.00879 -0.01112 171 3S -0.00383 0.00000 0.00000 0.06032 0.09337 172 4S 0.00928 0.00000 0.00000 -0.07470 -0.21275 173 5S -0.15050 0.00000 0.00000 -0.19598 0.36211 174 6S -0.00969 0.00000 0.00000 0.84170 -1.30494 175 7S -0.00635 0.00000 0.00000 -0.18637 0.08152 176 7PX 0.00000 0.01511 0.00000 0.00000 0.00000 177 7PY 0.00000 0.00000 0.05144 0.00000 0.00000 178 7PZ 0.01446 0.00000 0.00000 -0.08943 0.00649 179 8PX 0.00000 -0.02156 0.00000 0.00000 0.00000 180 8PY 0.00000 0.00000 0.01610 0.00000 0.00000 181 8PZ 0.04163 0.00000 0.00000 0.22247 -0.11308 182 9PX 0.00000 0.02557 0.00000 0.00000 0.00000 183 9PY 0.00000 0.00000 -0.02311 0.00000 0.00000 184 9PZ -0.05412 0.00000 0.00000 -0.27639 0.15205 185 10PX 0.00000 -0.02788 0.00000 0.00000 0.00000 186 10PY 0.00000 0.00000 0.04714 0.00000 0.00000 187 10PZ 0.09194 0.00000 0.00000 0.16117 -0.24647 188 11PX 0.00000 0.12186 0.00000 0.00000 0.00000 189 11PY 0.00000 0.00000 -0.08263 0.00000 0.00000 190 11PZ -0.03003 0.00000 0.00000 -0.68548 2.13974 191 12PX 0.00000 -0.07476 0.00000 0.00000 0.00000 192 12PY 0.00000 0.00000 -0.31580 0.00000 0.00000 193 12PZ -0.08865 0.00000 0.00000 -0.37633 1.85832 194 13D 0 -0.01524 0.00000 0.00000 -0.01421 0.18171 195 13D+1 0.00000 0.03117 0.00000 0.00000 0.00000 196 13D-1 0.00000 0.00000 0.02278 0.00000 0.00000 197 13D+2 0.01458 0.00000 0.00000 0.00586 0.01542 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.04977 0.00000 0.00000 0.20436 1.19360 200 14D+1 0.00000 0.30377 0.00000 0.00000 0.00000 201 14D-1 0.00000 0.00000 0.56794 0.00000 0.00000 202 14D+2 -0.09915 0.00000 0.00000 -0.02075 -0.03922 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S -0.00023 0.00000 0.00000 0.01317 0.04289 205 2S -0.00068 0.00000 0.00000 0.03916 0.12753 206 3S 0.00128 0.00000 0.00000 -0.07151 -0.23228 207 4S 0.00594 0.00000 0.00000 -0.35163 -1.16723 208 5S -0.01956 0.00000 0.00000 1.16644 3.96728 209 6S 0.01768 0.00000 0.00000 -1.10912 -3.99585 210 7S 0.00010 0.00000 0.00000 0.51436 2.84048 211 8S -0.02578 0.00000 0.00000 -0.29605 -3.56958 212 9S 0.04146 0.00000 0.00000 0.64847 -1.65648 213 9PX 0.00000 -0.01475 0.00000 0.00000 0.00000 214 9PY 0.00000 0.00000 0.03016 0.00000 0.00000 215 9PZ -0.01537 0.00000 0.00000 -0.12482 0.27425 216 10PX 0.00000 -0.00143 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 -0.00149 0.00000 0.00000 218 10PZ -0.00007 0.00000 0.00000 -0.00181 -0.00241 219 11PX 0.00000 -0.01317 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 -0.01370 0.00000 0.00000 221 11PZ -0.00066 0.00000 0.00000 -0.01660 -0.02236 222 12PX 0.00000 0.05157 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00000 0.05365 0.00000 0.00000 224 12PZ 0.00248 0.00000 0.00000 0.06445 0.08964 225 13PX 0.00000 -0.09761 0.00000 0.00000 0.00000 226 13PY 0.00000 0.00000 -0.10099 0.00000 0.00000 227 13PZ -0.00340 0.00000 0.00000 -0.11371 -0.19155 228 14PX 0.00000 0.04998 0.00000 0.00000 0.00000 229 14PY 0.00000 0.00000 0.04953 0.00000 0.00000 230 14PZ -0.00089 0.00000 0.00000 0.03793 0.15273 231 15PX 0.00000 0.05786 0.00000 0.00000 0.00000 232 15PY 0.00000 0.00000 0.07155 0.00000 0.00000 233 15PZ 0.00400 0.00000 0.00000 0.11468 -0.13356 234 16PX 0.00000 -0.23019 0.00000 0.00000 0.00000 235 16PY 0.00000 0.00000 -0.32385 0.00000 0.00000 236 16PZ 0.01882 0.00000 0.00000 -0.31018 1.65695 237 17D 0 0.01572 0.00000 0.00000 -0.79071 0.23819 238 17D+1 0.00000 -0.84515 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 -0.84491 0.00000 0.00000 240 17D+2 -0.84528 0.00000 0.00000 -0.00994 -0.00270 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 -0.05078 0.00000 0.00000 2.57493 -0.87282 243 18D+1 0.00000 2.73836 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00000 2.75336 0.00000 0.00000 245 18D+2 2.68619 0.00000 0.00000 0.03240 0.00976 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.04330 0.00000 0.00000 -2.18449 0.84810 248 19D+1 0.00000 -2.31192 0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00000 -2.34089 0.00000 0.00000 250 19D+2 -2.21450 0.00000 0.00000 -0.02754 -0.00930 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 -0.01671 0.00000 0.00000 0.48817 -0.56477 253 20D+1 0.00000 0.51967 0.00000 0.00000 0.00000 254 20D-1 0.00000 0.00000 0.57015 0.00000 0.00000 255 20D+2 0.37786 0.00000 0.00000 0.00661 0.00479 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S -0.00380 0.00000 0.00497 -0.00730 -0.02254 258 2S 0.04659 0.00000 -0.07484 -0.02119 -0.08912 259 3S -0.04216 0.00000 0.06167 0.05429 0.20340 260 4PX 0.00000 0.00291 0.00000 0.00000 0.00000 261 4PY -0.00691 0.00000 0.00348 0.00091 0.00856 262 4PZ 0.00033 0.00000 0.00825 0.01398 0.01709 263 11 H 1S -0.00603 0.00000 0.00214 0.00597 0.00560 264 2S 0.00883 0.00000 0.01948 0.02522 0.09925 265 3S -0.01360 0.00000 0.06779 -0.01398 -0.08563 266 4PX 0.00000 0.00020 0.00000 0.00000 0.00000 267 4PY 0.00041 0.00000 -0.00277 -0.00699 -0.01149 268 4PZ -0.00163 0.00000 0.00159 0.00442 0.01127 269 12 H 1S -0.00161 0.00000 0.00000 0.00191 0.00031 270 2S 0.02143 0.00000 0.00000 0.00595 0.01013 271 3S 0.00527 0.00000 0.00000 0.01421 -0.00075 272 4PX 0.00000 0.00068 0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 0.00831 0.00000 0.00000 274 4PZ 0.00025 0.00000 0.00000 0.00575 0.01630 275 13 H 1S -0.00603 0.00000 -0.00214 0.00597 0.00560 276 2S 0.00883 0.00000 -0.01948 0.02522 0.09925 277 3S -0.01360 0.00000 -0.06779 -0.01398 -0.08563 278 4PX 0.00000 0.00020 0.00000 0.00000 0.00000 279 4PY -0.00041 0.00000 -0.00277 0.00699 0.01149 280 4PZ -0.00163 0.00000 -0.00159 0.00442 0.01127 266 267 268 269 270 (B1)--V (B2)--V (A1)--V (A1)--V (B2)--V Eigenvalues -- 7.59225 7.59766 7.71491 23.62827 23.98145 1 1 C 1S 0.00000 -0.00033 0.00005 0.85522 -0.68989 2 2S 0.00000 -0.00025 -0.00036 -0.92912 0.75836 3 2PX -0.00298 0.00000 0.00000 0.00000 0.00000 4 2PY 0.00000 0.00196 0.01093 0.03488 -0.00146 5 2PZ 0.00000 0.00158 0.00252 0.01785 0.04251 6 3S 0.00000 0.00814 0.03673 0.34642 -0.24064 7 3PX 0.00816 0.00000 0.00000 0.00000 0.00000 8 3PY 0.00000 -0.00995 -0.03946 -0.15230 0.00635 9 3PZ 0.00000 -0.00173 0.01433 -0.07474 -0.14282 10 4S 0.00000 -0.13167 -0.35844 0.04302 0.19177 11 4PX -0.00374 0.00000 0.00000 0.00000 0.00000 12 4PY 0.00000 0.01306 -0.14053 -0.04353 0.26256 13 4PZ 0.00000 -0.10514 -0.06571 -0.01284 -0.03946 14 5S 0.00000 0.85302 3.51492 -0.04510 -1.15098 15 5PX -0.03203 0.00000 0.00000 0.00000 0.00000 16 5PY 0.00000 -0.77481 0.30858 0.01985 -0.30732 17 5PZ 0.00000 1.57451 0.65864 -0.00657 0.13098 18 6D 0 0.00000 0.00190 -0.00052 -0.00355 -0.02063 19 6D+1 0.00012 0.00000 0.00000 0.00000 0.00000 20 6D-1 0.00000 0.00098 -0.00076 0.01383 -0.00618 21 6D+2 0.00000 0.00037 -0.00129 -0.01405 0.01979 22 6D-2 0.00020 0.00000 0.00000 0.00000 0.00000 23 7D 0 0.00000 -0.00249 0.03476 -0.01109 -0.15033 24 7D+1 0.00282 0.00000 0.00000 0.00000 0.00000 25 7D-1 0.00000 -0.01016 -0.07224 0.02239 0.06251 26 7D+2 0.00000 0.00144 0.04228 -0.00455 -0.07169 27 7D-2 0.00171 0.00000 0.00000 0.00000 0.00000 28 2 C 1S 0.00000 0.00000 -0.00077 0.84169 0.00000 29 2S 0.00000 0.00000 -0.00045 -0.91446 0.00000 30 2PX -0.00063 0.00000 0.00000 0.00000 0.00000 31 2PY 0.00000 0.00220 0.00000 0.00000 0.02678 32 2PZ 0.00000 0.00000 -0.00897 0.03375 0.00000 33 3S 0.00000 0.00000 0.00613 0.32925 0.00000 34 3PX 0.00142 0.00000 0.00000 0.00000 0.00000 35 3PY 0.00000 -0.00700 0.00000 0.00000 -0.04848 36 3PZ 0.00000 0.00000 0.05457 -0.14763 0.00000 37 4S 0.00000 0.00000 0.19255 -0.23468 0.00000 38 4PX -0.00336 0.00000 0.00000 0.00000 0.00000 39 4PY 0.00000 0.06657 0.00000 0.00000 0.06532 40 4PZ 0.00000 0.00000 0.11861 -0.11293 0.00000 41 5S 0.00000 0.00000 -2.06837 0.01060 0.00000 42 5PX 0.02080 0.00000 0.00000 0.00000 0.00000 43 5PY 0.00000 -1.55136 0.00000 0.00000 -0.41525 44 5PZ 0.00000 0.00000 -0.46974 0.06545 0.00000 45 6D 0 0.00000 0.00000 0.00583 0.02010 0.00000 46 6D+1 0.00006 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 -0.00144 0.00000 0.00000 -0.00581 48 6D+2 0.00000 0.00000 -0.00137 -0.00374 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00000 0.00000 0.00468 0.12755 0.00000 51 7D+1 -0.00177 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00000 -0.00202 0.00000 0.00000 0.03098 53 7D+2 0.00000 0.00000 0.01346 0.09015 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.00000 0.00033 0.00005 0.85522 0.68989 56 2S 0.00000 0.00025 -0.00036 -0.92912 -0.75836 57 2PX -0.00298 0.00000 0.00000 0.00000 0.00000 58 2PY 0.00000 0.00196 -0.01093 -0.03488 -0.00146 59 2PZ 0.00000 -0.00158 0.00252 0.01785 -0.04251 60 3S 0.00000 -0.00814 0.03673 0.34642 0.24064 61 3PX 0.00816 0.00000 0.00000 0.00000 0.00000 62 3PY 0.00000 -0.00995 0.03946 0.15230 0.00635 63 3PZ 0.00000 0.00173 0.01433 -0.07474 0.14282 64 4S 0.00000 0.13167 -0.35844 0.04302 -0.19177 65 4PX -0.00374 0.00000 0.00000 0.00000 0.00000 66 4PY 0.00000 0.01306 0.14053 0.04353 0.26256 67 4PZ 0.00000 0.10514 -0.06571 -0.01284 0.03946 68 5S 0.00000 -0.85302 3.51492 -0.04510 1.15098 69 5PX -0.03203 0.00000 0.00000 0.00000 0.00000 70 5PY 0.00000 -0.77481 -0.30858 -0.01985 -0.30732 71 5PZ 0.00000 -1.57451 0.65864 -0.00657 -0.13098 72 6D 0 0.00000 -0.00190 -0.00052 -0.00355 0.02063 73 6D+1 0.00012 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.00098 0.00076 -0.01383 -0.00618 75 6D+2 0.00000 -0.00037 -0.00129 -0.01405 -0.01979 76 6D-2 -0.00020 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.00000 0.00249 0.03476 -0.01109 0.15033 78 7D+1 0.00282 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.00000 -0.01016 0.07224 -0.02239 0.06251 80 7D+2 0.00000 -0.00144 0.04228 -0.00455 0.07169 81 7D-2 -0.00171 0.00000 0.00000 0.00000 0.00000 82 4 C 1S 0.00000 0.00040 0.00068 0.84754 -1.26526 83 2S 0.00000 0.00032 0.00070 -0.92057 1.39235 84 2PX -0.00126 0.00000 0.00000 0.00000 0.00000 85 2PY 0.00000 0.00193 0.00700 -0.02684 -0.00729 86 2PZ 0.00000 0.00481 -0.00382 -0.01535 -0.02476 87 3S 0.00000 -0.00805 -0.06370 0.30157 -0.54806 88 3PX 0.00332 0.00000 0.00000 0.00000 0.00000 89 3PY 0.00000 -0.00769 -0.01012 0.13772 0.05023 90 3PZ 0.00000 -0.01904 0.01048 0.05739 0.09632 91 4S 0.00000 -0.02601 0.58761 -0.16623 0.20494 92 4PX -0.03058 0.00000 0.00000 0.00000 0.00000 93 4PY 0.00000 -0.02734 -0.36939 0.02566 -0.23515 94 4PZ 0.00000 0.19797 -0.21632 0.04533 -0.01617 95 5S 0.00000 1.09851 -2.28795 -1.03355 -1.29542 96 5PX 0.06679 0.00000 0.00000 0.00000 0.00000 97 5PY 0.00000 0.82601 -0.06216 0.17199 0.36805 98 5PZ 0.00000 -1.58080 0.48638 -0.00032 -0.09888 99 6D 0 0.00000 -0.00035 -0.00052 -0.00434 -0.02632 100 6D+1 -0.00133 0.00000 0.00000 0.00000 0.00000 101 6D-1 0.00000 0.00276 -0.00275 0.01144 -0.00248 102 6D+2 0.00000 0.00001 0.00269 -0.01273 0.03887 103 6D-2 -0.00300 0.00000 0.00000 0.00000 0.00000 104 7D 0 0.00000 0.00286 -0.10740 -0.11025 -0.05504 105 7D+1 0.00441 0.00000 0.00000 0.00000 0.00000 106 7D-1 0.00000 -0.02891 0.12730 0.18833 0.08062 107 7D+2 0.00000 0.00337 -0.12053 -0.09006 -0.04217 108 7D-2 0.01133 0.00000 0.00000 0.00000 0.00000 109 5 C 1S 0.00000 0.00000 -0.00481 0.72590 0.00000 110 2S 0.00000 0.00000 -0.00327 -0.78811 0.00000 111 2PX 0.00295 0.00000 0.00000 0.00000 0.00000 112 2PY 0.00000 0.00162 0.00000 0.00000 -0.06756 113 2PZ 0.00000 0.00000 -0.00433 -0.02732 0.00000 114 3S 0.00000 0.00000 0.15714 0.34566 0.00000 115 3PX -0.00838 0.00000 0.00000 0.00000 0.00000 116 3PY 0.00000 -0.01496 0.00000 0.00000 0.19643 117 3PZ 0.00000 0.00000 0.06019 0.08032 0.00000 118 4S 0.00000 0.00000 -1.35592 -0.49247 0.00000 119 4PX 0.06689 0.00000 0.00000 0.00000 0.00000 120 4PY 0.00000 -0.11348 0.00000 0.00000 0.02782 121 4PZ 0.00000 0.00000 0.21685 -0.11916 0.00000 122 5S 0.00000 0.00000 -0.55944 1.79751 0.00000 123 5PX -0.01010 0.00000 0.00000 0.00000 0.00000 124 5PY 0.00000 1.35378 0.00000 0.00000 0.48117 125 5PZ 0.00000 0.00000 0.84966 -0.85697 0.00000 126 6D 0 0.00000 0.00000 0.04595 0.01829 0.00000 127 6D+1 0.00121 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00354 0.00000 0.00000 -0.01740 129 6D+2 0.00000 0.00000 0.01266 0.00166 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00000 0.00000 -0.33076 -0.18030 0.00000 132 7D+1 -0.00697 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.00000 -0.01078 0.00000 0.00000 -0.13704 134 7D+2 0.00000 0.00000 -0.08791 -0.02314 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S 0.00000 -0.00040 0.00068 0.84754 1.26526 137 2S 0.00000 -0.00032 0.00070 -0.92057 -1.39235 138 2PX -0.00126 0.00000 0.00000 0.00000 0.00000 139 2PY 0.00000 0.00193 -0.00700 0.02684 -0.00729 140 2PZ 0.00000 -0.00481 -0.00382 -0.01535 0.02476 141 3S 0.00000 0.00805 -0.06370 0.30157 0.54806 142 3PX 0.00332 0.00000 0.00000 0.00000 0.00000 143 3PY 0.00000 -0.00769 0.01012 -0.13772 0.05023 144 3PZ 0.00000 0.01904 0.01048 0.05739 -0.09632 145 4S 0.00000 0.02601 0.58761 -0.16623 -0.20494 146 4PX -0.03058 0.00000 0.00000 0.00000 0.00000 147 4PY 0.00000 -0.02734 0.36939 -0.02566 -0.23515 148 4PZ 0.00000 -0.19797 -0.21632 0.04533 0.01617 149 5S 0.00000 -1.09851 -2.28795 -1.03355 1.29542 150 5PX 0.06679 0.00000 0.00000 0.00000 0.00000 151 5PY 0.00000 0.82601 0.06216 -0.17199 0.36805 152 5PZ 0.00000 1.58080 0.48638 -0.00032 0.09888 153 6D 0 0.00000 0.00035 -0.00052 -0.00434 0.02632 154 6D+1 -0.00133 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00000 0.00276 0.00275 -0.01144 -0.00248 156 6D+2 0.00000 -0.00001 0.00269 -0.01273 -0.03887 157 6D-2 0.00300 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.00000 -0.00286 -0.10740 -0.11025 0.05504 159 7D+1 0.00441 0.00000 0.00000 0.00000 0.00000 160 7D-1 0.00000 -0.02891 -0.12730 -0.18833 0.08062 161 7D+2 0.00000 -0.00337 -0.12053 -0.09006 0.04217 162 7D-2 -0.01133 0.00000 0.00000 0.00000 0.00000 163 7 H 1S 0.00000 0.00023 -0.01437 -0.01683 0.02941 164 2S 0.00000 -0.02400 -0.11222 -0.33584 -0.07800 165 3S 0.00000 0.07949 0.22016 0.19467 -0.02809 166 4PX -0.00156 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00000 -0.00424 -0.01688 -0.11041 -0.05576 168 4PZ 0.00000 0.00354 0.02481 0.06115 0.03294 169 8 Mg 1S 0.00000 0.00000 -0.00298 -0.00060 0.00000 170 2S 0.00000 0.00000 -0.01065 -0.00079 0.00000 171 3S 0.00000 0.00000 0.09378 0.01139 0.00000 172 4S 0.00000 0.00000 -0.21132 -0.03411 0.00000 173 5S 0.00000 0.00000 0.25710 0.18005 0.00000 174 6S 0.00000 0.00000 -0.04575 1.01538 0.00000 175 7S 0.00000 0.00000 -0.07113 0.04908 0.00000 176 7PX -0.07562 0.00000 0.00000 0.00000 0.00000 177 7PY 0.00000 -0.10037 0.00000 0.00000 -0.00577 178 7PZ 0.00000 0.00000 -0.06520 -0.02454 0.00000 179 8PX -0.01226 0.00000 0.00000 0.00000 0.00000 180 8PY 0.00000 -0.01015 0.00000 0.00000 0.00282 181 8PZ 0.00000 0.00000 0.03712 -0.00047 0.00000 182 9PX 0.01837 0.00000 0.00000 0.00000 0.00000 183 9PY 0.00000 0.01499 0.00000 0.00000 -0.00702 184 9PZ 0.00000 0.00000 -0.06442 0.00415 0.00000 185 10PX -0.02267 0.00000 0.00000 0.00000 0.00000 186 10PY 0.00000 -0.01281 0.00000 0.00000 0.02382 187 10PZ 0.00000 0.00000 0.04253 -0.06758 0.00000 188 11PX 0.06894 0.00000 0.00000 0.00000 0.00000 189 11PY 0.00000 0.07474 0.00000 0.00000 -0.01832 190 11PZ 0.00000 0.00000 0.09065 -0.18814 0.00000 191 12PX -0.05652 0.00000 0.00000 0.00000 0.00000 192 12PY 0.00000 -0.01544 0.00000 0.00000 -0.01819 193 12PZ 0.00000 0.00000 -0.58499 0.49238 0.00000 194 13D 0 0.00000 0.00000 0.23759 0.05265 0.00000 195 13D+1 -0.02220 0.00000 0.00000 0.00000 0.00000 196 13D-1 0.00000 -0.02839 0.00000 0.00000 -0.01996 197 13D+2 0.00000 0.00000 0.00465 0.00111 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00000 0.00000 0.62180 0.14692 0.00000 200 14D+1 0.12376 0.00000 0.00000 0.00000 0.00000 201 14D-1 0.00000 0.11953 0.00000 0.00000 -0.00248 202 14D+2 0.00000 0.00000 -0.00816 -0.00339 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 0.00000 0.00257 0.00005 0.00000 205 2S 0.00000 0.00000 0.00764 0.00018 0.00000 206 3S 0.00000 0.00000 -0.01367 -0.00077 0.00000 207 4S 0.00000 0.00000 -0.07287 -0.00006 0.00000 208 5S 0.00000 0.00000 0.25782 0.00363 0.00000 209 6S 0.00000 0.00000 -0.28855 -0.00659 0.00000 210 7S 0.00000 0.00000 0.39316 0.02319 0.00000 211 8S 0.00000 0.00000 -0.90346 -0.09428 0.00000 212 9S 0.00000 0.00000 0.59173 -0.73745 0.00000 213 9PX 0.25501 0.00000 0.00000 0.00000 0.00000 214 9PY 0.00000 0.26337 0.00000 0.00000 0.00427 215 9PZ 0.00000 0.00000 0.02804 0.25059 0.00000 216 10PX 0.04827 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.04827 0.00000 0.00000 0.00002 218 10PZ 0.00000 0.00000 0.04817 0.00005 0.00000 219 11PX 0.45066 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 0.45065 0.00000 0.00000 0.00012 221 11PZ 0.00000 0.00000 0.45014 0.00037 0.00000 222 12PX -1.86332 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 -1.86368 0.00000 0.00000 -0.00058 224 12PZ 0.00000 0.00000 -1.87034 -0.00187 0.00000 225 13PX 4.48989 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 4.49441 0.00000 0.00000 0.00214 227 13PZ 0.00000 0.00000 4.59653 0.00808 0.00000 228 14PX -4.15658 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 -4.16620 0.00000 0.00000 -0.00291 230 14PZ 0.00000 0.00000 -4.38765 -0.01335 0.00000 231 15PX 1.69283 0.00000 0.00000 0.00000 0.00000 232 15PY 0.00000 1.70571 0.00000 0.00000 0.00140 233 15PZ 0.00000 0.00000 1.93536 0.01157 0.00000 234 16PX -0.73998 0.00000 0.00000 0.00000 0.00000 235 16PY 0.00000 -0.75873 0.00000 0.00000 0.00358 236 16PZ 0.00000 0.00000 -0.40140 0.04593 0.00000 237 17D 0 0.00000 0.00000 -0.00968 -0.00081 0.00000 238 17D+1 -0.02431 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 -0.02562 0.00000 0.00000 0.00040 240 17D+2 0.00000 0.00000 -0.00082 0.00001 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 0.00000 0.02510 0.00422 0.00000 243 18D+1 0.09546 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.10070 0.00000 0.00000 -0.00261 245 18D+2 0.00000 0.00000 0.00328 -0.00003 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00000 -0.00413 -0.00449 0.00000 248 19D+1 -0.09704 0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00000 -0.10244 0.00000 0.00000 0.00375 250 19D+2 0.00000 0.00000 -0.00339 0.00004 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00000 0.00000 -0.13959 -0.00328 0.00000 253 20D+1 0.06027 0.00000 0.00000 0.00000 0.00000 254 20D-1 0.00000 0.06346 0.00000 0.00000 -0.00516 255 20D+2 0.00000 0.00000 0.00203 0.00003 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.00000 -0.00023 -0.01437 -0.01683 -0.02941 258 2S 0.00000 0.02400 -0.11222 -0.33584 0.07800 259 3S 0.00000 -0.07949 0.22016 0.19467 0.02809 260 4PX -0.00156 0.00000 0.00000 0.00000 0.00000 261 4PY 0.00000 -0.00424 0.01688 0.11041 -0.05576 262 4PZ 0.00000 -0.00354 0.02481 0.06115 -0.03294 263 11 H 1S 0.00000 -0.00198 0.00546 -0.00565 0.02640 264 2S 0.00000 0.00321 0.05569 -0.21232 -0.00922 265 3S 0.00000 0.00165 -0.09509 0.10312 -0.08291 266 4PX 0.00127 0.00000 0.00000 0.00000 0.00000 267 4PY 0.00000 -0.00082 -0.00832 0.09351 0.02885 268 4PZ 0.00000 0.00052 0.00303 -0.05458 0.00390 269 12 H 1S 0.00000 0.00000 0.00273 -0.01146 0.00000 270 2S 0.00000 0.00000 0.02766 -0.26807 0.00000 271 3S 0.00000 0.00000 0.05338 0.12077 0.00000 272 4PX -0.00017 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 -0.00135 0.00000 0.00000 0.01078 274 4PZ 0.00000 0.00000 0.01242 -0.11389 0.00000 275 13 H 1S 0.00000 0.00198 0.00546 -0.00565 -0.02640 276 2S 0.00000 -0.00321 0.05569 -0.21232 0.00922 277 3S 0.00000 -0.00165 -0.09509 0.10312 0.08291 278 4PX 0.00127 0.00000 0.00000 0.00000 0.00000 279 4PY 0.00000 -0.00082 0.00832 -0.09351 0.02885 280 4PZ 0.00000 -0.00052 0.00303 -0.05458 -0.00390 271 272 273 274 275 (A1)--V (B2)--V (A1)--V (A1)--V (A1)--V Eigenvalues -- 23.98696 24.02528 24.08244 24.10966 48.09543 1 1 C 1S -0.34006 -1.26656 0.66000 0.89104 0.00002 2 2S 0.37396 1.39743 -0.72992 -0.98476 -0.00002 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY 0.03876 0.02661 0.01967 -0.01863 -0.00144 5 2PZ -0.04097 -0.02527 -0.05582 -0.00162 0.00078 6 3S -0.12036 -0.67221 0.36604 0.36908 -0.00364 7 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 3PY -0.12432 -0.18051 -0.04244 0.04615 0.00308 9 3PZ 0.10886 0.08857 0.25069 -0.00208 -0.01169 10 4S -0.01808 -0.12042 -0.05708 -0.18287 -0.12789 11 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 12 4PY -0.09366 -0.16908 -0.23015 -0.48822 -0.00227 13 4PZ 0.12040 0.28904 0.30119 -0.29794 -0.07643 14 5S 0.27674 0.73227 -1.15127 -2.59661 -0.32432 15 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 5PY 0.02263 0.14985 0.10613 -0.48907 -0.26088 17 5PZ 0.05063 -0.34373 -0.41281 -0.24354 0.11475 18 6D 0 0.00129 -0.01829 0.03032 0.00717 0.00143 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 0.00782 0.01017 0.00561 0.00228 -0.00039 21 6D+2 0.01853 0.04288 -0.01205 -0.02155 -0.00030 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 7D 0 0.10944 0.20560 0.20305 0.15698 -0.03453 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 0.08714 0.03402 0.26742 -0.24770 0.03357 26 7D+2 0.06173 0.07321 0.14028 -0.04472 -0.01184 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 C 1S 1.25660 0.00000 0.91945 -1.01206 -0.00041 29 2S -1.38312 0.00000 -1.01768 1.11871 0.00068 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY 0.00000 0.09079 0.00000 0.00000 0.00000 32 2PZ -0.02461 0.00000 0.00028 0.02026 0.00175 33 3S 0.54610 0.00000 0.57875 -0.43298 -0.00493 34 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 35 3PY 0.00000 -0.33739 0.00000 0.00000 0.00000 36 3PZ 0.12703 0.00000 0.08920 -0.05776 -0.01280 37 4S -0.00253 0.00000 0.53871 0.17760 0.07737 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY 0.00000 -0.54501 0.00000 0.00000 0.00000 40 4PZ -0.05573 0.00000 0.16600 0.55846 0.03041 41 5S 0.34545 0.00000 -0.16056 2.68633 1.04053 42 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 5PY 0.00000 0.60617 0.00000 0.00000 0.00000 44 5PZ 0.14851 0.00000 0.15968 0.54924 0.09085 45 6D 0 0.02305 0.00000 0.00959 -0.01581 -0.00082 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 -0.02758 0.00000 0.00000 0.00000 48 6D+2 -0.04367 0.00000 -0.03086 0.02211 0.00057 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 -0.04586 0.00000 0.03090 0.16952 -0.01364 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00000 -0.45549 0.00000 0.00000 0.00000 53 7D+2 -0.00484 0.00000 0.05551 0.23423 -0.01864 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S -0.34006 1.26656 0.66000 0.89104 0.00002 56 2S 0.37396 -1.39743 -0.72992 -0.98476 -0.00002 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY -0.03876 0.02661 -0.01967 0.01863 0.00144 59 2PZ -0.04097 0.02527 -0.05582 -0.00162 0.00078 60 3S -0.12036 0.67221 0.36604 0.36908 -0.00364 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY 0.12432 -0.18051 0.04244 -0.04615 -0.00308 63 3PZ 0.10886 -0.08857 0.25069 -0.00208 -0.01169 64 4S -0.01808 0.12042 -0.05708 -0.18287 -0.12789 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY 0.09366 -0.16908 0.23015 0.48822 0.00227 67 4PZ 0.12040 -0.28904 0.30119 -0.29794 -0.07643 68 5S 0.27674 -0.73227 -1.15127 -2.59661 -0.32432 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY -0.02263 0.14985 -0.10613 0.48907 0.26088 71 5PZ 0.05063 0.34373 -0.41281 -0.24354 0.11475 72 6D 0 0.00129 0.01829 0.03032 0.00717 0.00143 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 -0.00782 0.01017 -0.00561 -0.00228 0.00039 75 6D+2 0.01853 -0.04288 -0.01205 -0.02155 -0.00030 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.10944 -0.20560 0.20305 0.15698 -0.03453 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 -0.08714 0.03402 -0.26742 0.24770 -0.03357 80 7D+2 0.06173 -0.07321 0.14028 -0.04472 -0.01184 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S -0.75222 0.69138 -0.53484 -0.71074 0.00072 83 2S 0.82781 -0.76361 0.59176 0.78543 -0.00124 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY -0.02759 0.01295 0.03474 -0.01018 -0.00235 86 2PZ 0.01908 -0.03763 -0.06791 -0.01211 0.00235 87 3S -0.32282 0.41515 -0.30566 -0.28591 0.01580 88 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 3PY 0.08271 -0.08002 -0.10520 0.01322 0.00676 90 3PZ -0.02099 0.08127 0.28093 0.03406 -0.01532 91 4S 0.12666 0.23822 0.07918 0.26056 -0.01876 92 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 4PY -0.09664 -0.05964 -0.29564 -0.50322 0.15474 94 4PZ -0.09987 0.01492 0.33022 -0.24303 -0.03221 95 5S -1.15315 0.69169 1.32147 2.71911 -0.18821 96 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PY 0.23752 -0.24327 0.06048 -0.51784 -0.12430 98 5PZ 0.04818 0.04978 -0.38347 -0.27264 0.38858 99 6D 0 -0.01323 0.00410 -0.02104 -0.00817 -0.00070 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 0.00373 -0.00614 -0.00566 -0.00505 0.00010 102 6D+2 0.02542 -0.02322 0.00760 0.01396 -0.00323 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 -0.00215 -0.15293 -0.21838 -0.16093 0.05060 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 0.10216 -0.03019 -0.33613 0.23592 -0.03418 107 7D+2 -0.00763 -0.05620 -0.12790 0.02888 0.04250 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 5 C 1S 1.10064 0.00000 -1.37092 0.73391 -0.00350 110 2S -1.20990 0.00000 1.51532 -0.81075 0.00593 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY 0.00000 0.05436 0.00000 0.00000 0.00000 113 2PZ 0.02646 0.00000 -0.01551 0.01922 -0.00005 114 3S 0.45360 0.00000 -0.81299 0.35105 -0.04275 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY 0.00000 -0.20821 0.00000 0.00000 0.00000 117 3PZ -0.10421 0.00000 0.18523 -0.08421 -0.01277 118 4S -0.54675 0.00000 -0.13270 -0.49650 0.51507 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY 0.00000 -0.20428 0.00000 0.00000 0.00000 121 4PZ 0.00513 0.00000 0.50356 0.50828 -0.16762 122 5S 1.75441 0.00000 -0.53364 -2.56857 -1.25088 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 5PY 0.00000 -0.58099 0.00000 0.00000 0.00000 125 5PZ -0.00274 0.00000 0.04479 0.85977 -1.14423 126 6D 0 0.02390 0.00000 -0.02153 0.00941 -0.00858 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.01856 0.00000 0.00000 0.00000 129 6D+2 -0.03119 0.00000 0.04427 -0.01258 -0.00391 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 -0.17813 0.00000 0.13602 -0.19898 0.08838 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.00000 0.23312 0.00000 0.00000 0.00000 134 7D+2 -0.07987 0.00000 -0.02953 -0.18726 0.02822 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S -0.75222 -0.69138 -0.53484 -0.71074 0.00072 137 2S 0.82781 0.76361 0.59176 0.78543 -0.00124 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY 0.02759 0.01295 -0.03474 0.01018 0.00235 140 2PZ 0.01908 0.03763 -0.06791 -0.01211 0.00235 141 3S -0.32282 -0.41515 -0.30566 -0.28591 0.01580 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY -0.08271 -0.08002 0.10520 -0.01322 -0.00676 144 3PZ -0.02099 -0.08127 0.28093 0.03406 -0.01532 145 4S 0.12666 -0.23822 0.07918 0.26056 -0.01876 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY 0.09664 -0.05964 0.29564 0.50322 -0.15474 148 4PZ -0.09987 -0.01492 0.33022 -0.24303 -0.03221 149 5S -1.15315 -0.69169 1.32147 2.71911 -0.18821 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY -0.23752 -0.24327 -0.06048 0.51784 0.12430 152 5PZ 0.04818 -0.04978 -0.38347 -0.27264 0.38858 153 6D 0 -0.01323 -0.00410 -0.02104 -0.00817 -0.00070 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 -0.00373 -0.00614 0.00566 0.00505 -0.00010 156 6D+2 0.02542 0.02322 0.00760 0.01396 -0.00323 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 -0.00215 0.15293 -0.21838 -0.16093 0.05060 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 -0.10216 -0.03019 0.33613 -0.23592 0.03418 161 7D+2 -0.00763 0.05620 -0.12790 0.02888 0.04250 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S -0.02071 0.00118 0.00082 -0.03558 0.00505 164 2S 0.02576 0.10320 0.16156 0.10737 0.02546 165 3S 0.01726 -0.07966 -0.04584 0.17436 -0.06614 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.02461 0.03564 0.08346 0.02694 0.00301 168 4PZ -0.02204 -0.05172 0.04041 -0.02348 -0.00545 169 8 Mg 1S -0.00048 0.00000 0.00108 0.00000 0.00300 170 2S -0.00072 0.00000 0.00142 -0.00008 -0.00042 171 3S 0.01134 0.00000 -0.02054 0.00194 -0.02098 172 4S -0.03759 0.00000 0.05801 -0.01052 0.05649 173 5S 0.12309 0.00000 -0.27761 -0.08506 -0.05828 174 6S -0.05464 0.00000 -0.26291 -0.22001 0.31257 175 7S 0.00139 0.00000 -0.01823 0.02729 -0.00476 176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PY 0.00000 0.00663 0.00000 0.00000 0.00000 178 7PZ 0.00355 0.00000 0.00867 -0.00149 0.01172 179 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY 0.00000 -0.00516 0.00000 0.00000 0.00000 181 8PZ -0.00397 0.00000 0.00715 0.00123 0.00258 182 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 9PY 0.00000 0.01326 0.00000 0.00000 0.00000 184 9PZ 0.01387 0.00000 -0.02194 -0.00070 -0.00565 185 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 186 10PY 0.00000 -0.05397 0.00000 0.00000 0.00000 187 10PZ -0.11389 0.00000 0.15111 -0.01007 0.03265 188 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 11PY 0.00000 0.08524 0.00000 0.00000 0.00000 190 11PZ 0.04148 0.00000 0.13681 0.13759 -0.58228 191 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 192 12PY 0.00000 0.09820 0.00000 0.00000 0.00000 193 12PZ 0.13214 0.00000 -0.34743 0.15959 -0.55512 194 13D 0 0.06535 0.00000 -0.07622 0.02978 -0.04726 195 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 196 13D-1 0.00000 0.03678 0.00000 0.00000 0.00000 197 13D+2 0.00279 0.00000 0.00446 0.00341 -0.00516 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.17503 0.00000 -0.22767 0.03240 -0.38694 200 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 201 14D-1 0.00000 -0.06278 0.00000 0.00000 0.00000 202 14D+2 -0.00414 0.00000 0.00515 -0.00307 0.01546 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00016 0.00000 -0.00011 0.00008 0.11191 205 2S 0.00059 0.00000 -0.00040 0.00032 0.50580 206 3S -0.00262 0.00000 0.00177 -0.00142 -3.44418 207 4S 0.00022 0.00000 -0.00012 0.00012 5.25918 208 5S 0.01029 0.00000 -0.00716 0.00565 -4.19377 209 6S -0.01796 0.00000 0.01272 -0.00997 2.26298 210 7S 0.05205 0.00000 -0.04025 0.02974 -0.99471 211 8S -0.18475 0.00000 0.16642 -0.08788 1.14248 212 9S -0.13770 0.00000 0.41064 -0.12776 0.45847 213 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 214 9PY 0.00000 -0.02657 0.00000 0.00000 0.00000 215 9PZ 0.03374 0.00000 -0.12807 0.02735 -0.08142 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 -0.00003 0.00000 0.00000 0.00000 218 10PZ 0.00015 0.00000 -0.00011 0.00009 -0.00019 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 -0.00024 0.00000 0.00000 0.00000 221 11PZ 0.00115 0.00000 -0.00089 0.00066 -0.00100 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00118 0.00000 0.00000 0.00000 224 12PZ -0.00577 0.00000 0.00446 -0.00330 0.00527 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 -0.00455 0.00000 0.00000 0.00000 227 13PZ 0.02362 0.00000 -0.01858 0.01346 -0.02129 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 0.00672 0.00000 0.00000 0.00000 230 14PZ -0.03749 0.00000 0.03007 -0.02116 0.03015 231 15PX 0.00000 0.00000 0.00000 0.00000 0.00000 232 15PY 0.00000 -0.00628 0.00000 0.00000 0.00000 233 15PZ 0.03829 0.00000 -0.03192 0.01891 0.00130 234 16PX 0.00000 0.00000 0.00000 0.00000 0.00000 235 16PY 0.00000 0.01656 0.00000 0.00000 0.00000 236 16PZ 0.06729 0.00000 -0.05761 0.04578 -0.47017 237 17D 0 -0.00025 0.00000 0.00069 0.00009 -0.00638 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00003 0.00000 0.00000 0.00000 240 17D+2 -0.00005 0.00000 0.00027 -0.00001 0.00012 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00063 0.00000 -0.00338 -0.00128 0.04428 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 -0.00006 0.00000 0.00000 0.00000 245 18D+2 0.00030 0.00000 -0.00166 0.00005 -0.00079 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00072 0.00000 0.00315 0.00292 -0.06597 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00000 -0.00008 0.00000 0.00000 0.00000 250 19D+2 -0.00041 0.00000 0.00223 -0.00008 0.00112 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 -0.01573 0.00000 0.00821 -0.01463 0.12818 253 20D+1 0.00000 0.00000 0.00000 0.00000 0.00000 254 20D-1 0.00000 -0.00109 0.00000 0.00000 0.00000 255 20D+2 0.00052 0.00000 -0.00225 0.00015 -0.00153 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S -0.02071 -0.00118 0.00082 -0.03558 0.00505 258 2S 0.02576 -0.10320 0.16156 0.10737 0.02546 259 3S 0.01726 0.07966 -0.04584 0.17436 -0.06614 260 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 261 4PY -0.02461 0.03564 -0.08346 -0.02694 -0.00301 262 4PZ -0.02204 0.05172 0.04041 -0.02348 -0.00545 263 11 H 1S -0.00853 0.00909 0.00285 0.03981 -0.00131 264 2S 0.00491 -0.13858 -0.10602 -0.14505 -0.03142 265 3S -0.02654 0.09162 0.07251 -0.17791 0.02677 266 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 267 4PY 0.00318 0.05302 0.07150 0.04067 0.00421 268 4PZ 0.02768 -0.07125 0.03924 -0.02962 -0.00300 269 12 H 1S 0.02382 0.00000 0.00134 -0.04054 0.00017 270 2S -0.06653 0.00000 -0.09366 0.15349 -0.00002 271 3S 0.01667 0.00000 0.10635 0.16445 -0.00366 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 -0.08746 0.00000 0.00000 0.00000 274 4PZ -0.06136 0.00000 -0.06183 0.05611 -0.00333 275 13 H 1S -0.00853 -0.00909 0.00285 0.03981 -0.00131 276 2S 0.00491 0.13858 -0.10602 -0.14505 -0.03142 277 3S -0.02654 -0.09162 0.07251 -0.17791 0.02677 278 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 4PY -0.00318 0.05302 -0.07150 -0.04067 -0.00421 280 4PZ 0.02768 0.07125 0.03924 -0.02962 -0.00300 276 277 278 279 280 (A1)--V (B1)--V (B2)--V (A1)--V (A1)--V Eigenvalues -- 103.27650 289.80700 289.81224 289.930981020.92513 1 1 C 1S 0.00056 0.00000 -0.00006 0.00001 -0.00000 2 2S -0.00115 0.00000 0.00013 -0.00003 0.00000 3 2PX 0.00000 0.00029 0.00000 0.00000 0.00000 4 2PY 0.00065 0.00000 -0.00012 -0.00084 -0.00032 5 2PZ -0.00142 0.00000 -0.00020 -0.00031 0.00017 6 3S 0.00370 0.00000 -0.00111 -0.00367 -0.00087 7 3PX 0.00000 -0.00099 0.00000 0.00000 0.00000 8 3PY -0.00085 0.00000 0.00070 0.00348 0.00067 9 3PZ 0.02027 0.00000 0.00063 -0.00085 -0.00272 10 4S 0.33435 0.00000 0.01959 0.04199 -0.02957 11 4PX 0.00000 0.00067 0.00000 0.00000 0.00000 12 4PY 0.09474 0.00000 -0.00271 0.01372 -0.00043 13 4PZ 0.13533 0.00000 0.01617 0.00893 -0.01789 14 5S -0.25275 0.00000 -0.12783 -0.57309 -0.07732 15 5PX 0.00000 0.00472 0.00000 0.00000 0.00000 16 5PY 0.21357 0.00000 0.12383 -0.04886 -0.06289 17 5PZ -0.24322 0.00000 -0.24785 -0.10770 0.02787 18 6D 0 -0.00008 0.00000 -0.00016 0.00007 0.00032 19 6D+1 0.00000 -0.00001 0.00000 0.00000 0.00000 20 6D-1 0.00056 0.00000 -0.00007 -0.00004 -0.00009 21 6D+2 0.00107 0.00000 0.00000 0.00020 -0.00006 22 6D-2 0.00000 -0.00002 0.00000 0.00000 0.00000 23 7D 0 0.02714 0.00000 0.00067 -0.00351 -0.00807 24 7D+1 0.00000 -0.00035 0.00000 0.00000 0.00000 25 7D-1 -0.02511 0.00000 0.00149 0.00938 0.00793 26 7D+2 -0.00374 0.00000 -0.00016 -0.00508 -0.00282 27 7D-2 0.00000 -0.00015 0.00000 0.00000 0.00000 28 2 C 1S -0.00020 0.00000 0.00000 -0.00006 -0.00004 29 2S 0.00044 0.00000 0.00000 0.00013 0.00010 30 2PX 0.00000 0.00008 0.00000 0.00000 0.00000 31 2PY 0.00000 0.00000 -0.00014 0.00000 0.00000 32 2PZ 0.00003 0.00000 0.00000 0.00066 0.00040 33 3S -0.00353 0.00000 0.00000 0.00001 -0.00113 34 3PX 0.00000 -0.00024 0.00000 0.00000 0.00000 35 3PY 0.00000 0.00000 0.00039 0.00000 0.00000 36 3PZ -0.00375 0.00000 0.00000 -0.00474 -0.00295 37 4S -0.21208 0.00000 0.00000 -0.01800 0.01793 38 4PX 0.00000 0.00039 0.00000 0.00000 0.00000 39 4PY 0.00000 0.00000 -0.01048 0.00000 0.00000 40 4PZ -0.12775 0.00000 0.00000 -0.01389 0.00698 41 5S -0.73907 0.00000 0.00000 0.33277 0.25132 42 5PX 0.00000 -0.00305 0.00000 0.00000 0.00000 43 5PY 0.00000 0.00000 0.24579 0.00000 0.00000 44 5PZ -0.02204 0.00000 0.00000 0.07693 0.02200 45 6D 0 0.00051 0.00000 0.00000 -0.00050 -0.00019 46 6D+1 0.00000 -0.00001 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00000 0.00006 0.00000 0.00000 48 6D+2 -0.00046 0.00000 0.00000 0.00004 0.00012 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.01728 0.00000 0.00000 -0.00149 -0.00322 51 7D+1 0.00000 0.00017 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.00000 -0.00016 0.00000 0.00000 53 7D+2 0.01607 0.00000 0.00000 -0.00182 -0.00435 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.00056 0.00000 0.00006 0.00001 -0.00000 56 2S -0.00115 0.00000 -0.00013 -0.00003 0.00000 57 2PX 0.00000 0.00029 0.00000 0.00000 0.00000 58 2PY -0.00065 0.00000 -0.00012 0.00084 0.00032 59 2PZ -0.00142 0.00000 0.00020 -0.00031 0.00017 60 3S 0.00370 0.00000 0.00111 -0.00367 -0.00087 61 3PX 0.00000 -0.00099 0.00000 0.00000 0.00000 62 3PY 0.00085 0.00000 0.00070 -0.00348 -0.00067 63 3PZ 0.02027 0.00000 -0.00063 -0.00085 -0.00272 64 4S 0.33435 0.00000 -0.01959 0.04199 -0.02957 65 4PX 0.00000 0.00067 0.00000 0.00000 0.00000 66 4PY -0.09474 0.00000 -0.00271 -0.01372 0.00043 67 4PZ 0.13533 0.00000 -0.01617 0.00893 -0.01789 68 5S -0.25275 0.00000 0.12783 -0.57309 -0.07732 69 5PX 0.00000 0.00472 0.00000 0.00000 0.00000 70 5PY -0.21357 0.00000 0.12383 0.04886 0.06289 71 5PZ -0.24322 0.00000 0.24785 -0.10770 0.02787 72 6D 0 -0.00008 0.00000 0.00016 0.00007 0.00032 73 6D+1 0.00000 -0.00001 0.00000 0.00000 0.00000 74 6D-1 -0.00056 0.00000 -0.00007 0.00004 0.00009 75 6D+2 0.00107 0.00000 -0.00000 0.00020 -0.00006 76 6D-2 0.00000 0.00002 0.00000 0.00000 0.00000 77 7D 0 0.02714 0.00000 -0.00067 -0.00351 -0.00807 78 7D+1 0.00000 -0.00035 0.00000 0.00000 0.00000 79 7D-1 0.02511 0.00000 0.00149 -0.00938 -0.00793 80 7D+2 -0.00374 0.00000 0.00016 -0.00508 -0.00282 81 7D-2 0.00000 0.00015 0.00000 0.00000 0.00000 82 4 C 1S -0.00092 0.00000 0.00008 0.00016 0.00008 83 2S 0.00196 0.00000 -0.00019 -0.00036 -0.00019 84 2PX 0.00000 0.00014 0.00000 0.00000 0.00000 85 2PY -0.00047 0.00000 -0.00018 -0.00039 -0.00054 86 2PZ 0.00007 0.00000 -0.00039 0.00023 0.00055 87 3S 0.00190 0.00000 0.00113 0.00729 0.00366 88 3PX 0.00000 -0.00047 0.00000 0.00000 0.00000 89 3PY 0.00589 0.00000 0.00080 0.00005 0.00156 90 3PZ 0.00492 0.00000 0.00184 -0.00064 -0.00361 91 4S -0.24684 0.00000 0.00320 -0.06313 -0.00490 92 4PX 0.00000 0.00425 0.00000 0.00000 0.00000 93 4PY -0.03452 0.00000 0.00497 0.03574 0.03680 94 4PZ 0.09238 0.00000 -0.02942 0.02656 -0.00743 95 5S 0.11594 0.00000 -0.14403 0.39327 -0.04777 96 5PX 0.00000 -0.01001 0.00000 0.00000 0.00000 97 5PY 0.22484 0.00000 -0.13522 0.00487 -0.02964 98 5PZ -0.32299 0.00000 0.25297 -0.08928 0.09410 99 6D 0 0.00518 0.00000 0.00005 0.00007 -0.00016 100 6D+1 0.00000 0.00013 0.00000 0.00000 0.00000 101 6D-1 -0.00143 0.00000 -0.00026 0.00016 0.00002 102 6D+2 0.00145 0.00000 -0.00004 -0.00026 -0.00074 103 6D-2 0.00000 0.00027 0.00000 0.00000 0.00000 104 7D 0 -0.06510 0.00000 0.00020 0.01084 0.01189 105 7D+1 0.00000 -0.00051 0.00000 0.00000 0.00000 106 7D-1 0.02989 0.00000 0.00348 -0.01493 -0.00796 107 7D+2 -0.00989 0.00000 0.00002 0.01283 0.01005 108 7D-2 0.00000 -0.00141 0.00000 0.00000 0.00000 109 5 C 1S -0.00373 0.00000 0.00000 -0.00089 -0.00040 110 2S 0.00771 0.00000 0.00000 0.00201 0.00094 111 2PX 0.00000 -0.00028 0.00000 0.00000 0.00000 112 2PY 0.00000 0.00000 -0.00020 0.00000 0.00000 113 2PZ -0.00244 0.00000 0.00000 0.00018 0.00000 114 3S -0.07389 0.00000 0.00000 -0.01969 -0.01009 115 3PX 0.00000 0.00102 0.00000 0.00000 0.00000 116 3PY 0.00000 0.00000 0.00202 0.00000 0.00000 117 3PZ -0.01114 0.00000 0.00000 -0.00594 -0.00307 118 4S 0.53151 0.00000 0.00000 0.14933 0.12359 119 4PX 0.00000 -0.00925 0.00000 0.00000 0.00000 120 4PY 0.00000 0.00000 0.01769 0.00000 0.00000 121 4PZ 0.41770 0.00000 0.00000 -0.00693 -0.03911 122 5S 2.32105 0.00000 0.00000 0.07222 -0.29638 123 5PX 0.00000 0.00133 0.00000 0.00000 0.00000 124 5PY 0.00000 0.00000 -0.22956 0.00000 0.00000 125 5PZ 0.49131 0.00000 0.00000 -0.09940 -0.27553 126 6D 0 -0.00040 0.00000 0.00000 -0.00414 -0.00198 127 6D+1 0.00000 -0.00009 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00000 -0.00033 0.00000 0.00000 129 6D+2 0.00232 0.00000 0.00000 -0.00091 -0.00091 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00602 0.00000 0.00000 0.03754 0.02081 132 7D+1 0.00000 0.00079 0.00000 0.00000 0.00000 133 7D-1 0.00000 0.00000 0.00082 0.00000 0.00000 134 7D+2 -0.04215 0.00000 0.00000 0.00984 0.00661 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S -0.00092 0.00000 -0.00008 0.00016 0.00008 137 2S 0.00196 0.00000 0.00019 -0.00036 -0.00019 138 2PX 0.00000 0.00014 0.00000 0.00000 0.00000 139 2PY 0.00047 0.00000 -0.00018 0.00039 0.00054 140 2PZ 0.00007 0.00000 0.00039 0.00023 0.00055 141 3S 0.00190 0.00000 -0.00113 0.00729 0.00366 142 3PX 0.00000 -0.00047 0.00000 0.00000 0.00000 143 3PY -0.00589 0.00000 0.00080 -0.00005 -0.00156 144 3PZ 0.00492 0.00000 -0.00184 -0.00064 -0.00361 145 4S -0.24684 0.00000 -0.00320 -0.06313 -0.00490 146 4PX 0.00000 0.00425 0.00000 0.00000 0.00000 147 4PY 0.03452 0.00000 0.00497 -0.03574 -0.03680 148 4PZ 0.09238 0.00000 0.02942 0.02656 -0.00743 149 5S 0.11594 0.00000 0.14403 0.39327 -0.04777 150 5PX 0.00000 -0.01001 0.00000 0.00000 0.00000 151 5PY -0.22484 0.00000 -0.13522 -0.00487 0.02964 152 5PZ -0.32299 0.00000 -0.25297 -0.08928 0.09410 153 6D 0 0.00518 0.00000 -0.00005 0.00007 -0.00016 154 6D+1 0.00000 0.00013 0.00000 0.00000 0.00000 155 6D-1 0.00143 0.00000 -0.00026 -0.00016 -0.00002 156 6D+2 0.00145 0.00000 0.00004 -0.00026 -0.00074 157 6D-2 0.00000 -0.00027 0.00000 0.00000 0.00000 158 7D 0 -0.06510 0.00000 -0.00020 0.01084 0.01189 159 7D+1 0.00000 -0.00051 0.00000 0.00000 0.00000 160 7D-1 -0.02989 0.00000 0.00348 0.01493 0.00796 161 7D+2 -0.00989 0.00000 -0.00002 0.01283 0.01005 162 7D-2 0.00000 0.00141 0.00000 0.00000 0.00000 163 7 H 1S -0.00341 0.00000 -0.00011 0.00113 0.00115 164 2S -0.00462 0.00000 0.00250 0.01470 0.00606 165 3S 0.02083 0.00000 -0.01126 -0.02606 -0.01577 166 4PX 0.00000 0.00017 0.00000 0.00000 0.00000 167 4PY 0.00006 0.00000 0.00038 0.00213 0.00072 168 4PZ 0.00448 0.00000 -0.00034 -0.00260 -0.00129 169 8 Mg 1S -1.55837 0.00000 0.00000 -0.00167 -0.00069 170 2S 1.80214 0.00000 0.00000 0.00310 0.00149 171 3S -1.09269 0.00000 0.00000 -0.01067 -0.00584 172 4S 0.70842 0.00000 0.00000 0.02513 0.01401 173 5S -0.60431 0.00000 0.00000 -0.03112 -0.01401 174 6S -1.37255 0.00000 0.00000 0.02127 0.07225 175 7S 0.05979 0.00000 0.00000 0.01174 -0.00107 176 7PX 0.00000 0.01223 0.00000 0.00000 0.00000 177 7PY 0.00000 0.00000 0.01597 0.00000 0.00000 178 7PZ -0.06031 0.00000 0.00000 0.01065 0.00274 179 8PX 0.00000 0.00036 0.00000 0.00000 0.00000 180 8PY 0.00000 0.00000 0.00029 0.00000 0.00000 181 8PZ 0.00119 0.00000 0.00000 -0.00138 0.00049 182 9PX 0.00000 -0.00098 0.00000 0.00000 0.00000 183 9PY 0.00000 0.00000 -0.00076 0.00000 0.00000 184 9PZ -0.00372 0.00000 0.00000 0.00456 -0.00116 185 10PX 0.00000 0.00192 0.00000 0.00000 0.00000 186 10PY 0.00000 0.00000 0.00063 0.00000 0.00000 187 10PZ 0.02770 0.00000 0.00000 -0.00298 0.00752 188 11PX 0.00000 -0.00890 0.00000 0.00000 0.00000 189 11PY 0.00000 0.00000 -0.00928 0.00000 0.00000 190 11PZ 0.27590 0.00000 0.00000 0.00235 -0.13871 191 12PX 0.00000 0.00813 0.00000 0.00000 0.00000 192 12PY 0.00000 0.00000 0.00289 0.00000 0.00000 193 12PZ 0.60148 0.00000 0.00000 0.10407 -0.13307 194 13D 0 -0.06971 0.00000 0.00000 -0.03120 -0.01137 195 13D+1 0.00000 0.00305 0.00000 0.00000 0.00000 196 13D-1 0.00000 0.00000 0.00388 0.00000 0.00000 197 13D+2 0.00283 0.00000 0.00000 -0.00048 -0.00123 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 -0.43639 0.00000 0.00000 -0.07791 -0.09361 200 14D+1 0.00000 -0.01796 0.00000 0.00000 0.00000 201 14D-1 0.00000 0.00000 -0.01735 0.00000 0.00000 202 14D+2 -0.00708 0.00000 0.00000 0.00080 0.00375 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00035 0.00000 0.00000 0.00010 -1.60303 205 2S 0.00135 0.00000 0.00000 0.00011 2.05323 206 3S -0.01214 0.00000 0.00000 -0.00171 -1.93929 207 4S 0.02541 0.00000 0.00000 0.00412 1.74944 208 5S -0.04111 0.00000 0.00000 -0.00794 -1.03799 209 6S 0.04994 0.00000 0.00000 0.01079 0.52876 210 7S -0.13172 0.00000 0.00000 -0.03236 -0.23509 211 8S 0.41264 0.00000 0.00000 0.09698 0.27338 212 9S -0.09448 0.00000 0.00000 -0.11174 0.11093 213 9PX 0.00000 -0.04007 0.00000 0.00000 0.00000 214 9PY 0.00000 0.00000 -0.04151 0.00000 0.00000 215 9PZ 0.02944 0.00000 0.00000 -0.00033 -0.01978 216 10PX 0.00000 1.14715 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 1.14715 0.00000 0.00000 218 10PZ -0.00064 0.00000 0.00000 1.14731 0.00015 219 11PX 0.00000 -0.86130 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 -0.86135 0.00000 0.00000 221 11PZ -0.00142 0.00000 0.00000 -0.86244 -0.00035 222 12PX 0.00000 0.68436 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00000 0.68457 0.00000 0.00000 224 12PZ 0.00895 0.00000 0.00000 0.68938 0.00123 225 13PX 0.00000 -0.84181 0.00000 0.00000 0.00000 226 13PY 0.00000 0.00000 -0.84272 0.00000 0.00000 227 13PZ -0.04266 0.00000 0.00000 -0.86359 -0.00484 228 14PX 0.00000 0.64452 0.00000 0.00000 0.00000 229 14PY 0.00000 0.00000 0.64602 0.00000 0.00000 230 14PZ 0.07441 0.00000 0.00000 0.68002 0.00694 231 15PX 0.00000 -0.24778 0.00000 0.00000 0.00000 232 15PY 0.00000 0.00000 -0.24960 0.00000 0.00000 233 15PZ -0.07565 0.00000 0.00000 -0.28123 0.00041 234 16PX 0.00000 0.11160 0.00000 0.00000 0.00000 235 16PY 0.00000 0.00000 0.11430 0.00000 0.00000 236 16PZ -0.17085 0.00000 0.00000 0.07812 -0.11300 237 17D 0 0.00058 0.00000 0.00000 0.00007 -0.00136 238 17D+1 0.00000 0.00049 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.00052 0.00000 0.00000 240 17D+2 -0.00003 0.00000 0.00000 0.00002 0.00003 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 -0.00095 0.00000 0.00000 0.00043 0.00988 243 18D+1 0.00000 -0.00339 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00000 -0.00358 0.00000 0.00000 245 18D+2 0.00019 0.00000 0.00000 -0.00013 -0.00018 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 -0.00384 0.00000 0.00000 -0.00211 -0.01507 248 19D+1 0.00000 0.00486 0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00000 0.00513 0.00000 0.00000 250 19D+2 -0.00028 0.00000 0.00000 0.00018 0.00026 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.05480 0.00000 0.00000 0.01580 0.03057 253 20D+1 0.00000 -0.00683 0.00000 0.00000 0.00000 254 20D-1 0.00000 0.00000 -0.00715 0.00000 0.00000 255 20D+2 0.00046 0.00000 0.00000 -0.00022 -0.00037 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S -0.00341 0.00000 0.00011 0.00113 0.00115 258 2S -0.00462 0.00000 -0.00250 0.01470 0.00606 259 3S 0.02083 0.00000 0.01126 -0.02606 -0.01577 260 4PX 0.00000 0.00017 0.00000 0.00000 0.00000 261 4PY -0.00006 0.00000 0.00038 -0.00213 -0.00072 262 4PZ 0.00448 0.00000 0.00034 -0.00260 -0.00129 263 11 H 1S 0.00074 0.00000 0.00023 -0.00055 -0.00030 264 2S 0.01692 0.00000 -0.00004 -0.00825 -0.00752 265 3S 0.05480 0.00000 -0.00010 0.01264 0.00656 266 4PX 0.00000 -0.00015 0.00000 0.00000 0.00000 267 4PY -0.00351 0.00000 -0.00001 0.00123 0.00101 268 4PZ 0.00023 0.00000 -0.00000 -0.00042 -0.00071 269 12 H 1S 0.00203 0.00000 0.00000 -0.00013 0.00005 270 2S -0.03043 0.00000 0.00000 -0.00211 0.00000 271 3S -0.00448 0.00000 0.00000 -0.00838 -0.00092 272 4PX 0.00000 0.00001 0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 0.00011 0.00000 0.00000 274 4PZ -0.00213 0.00000 0.00000 -0.00106 -0.00077 275 13 H 1S 0.00074 0.00000 -0.00023 -0.00055 -0.00030 276 2S 0.01692 0.00000 0.00004 -0.00825 -0.00752 277 3S 0.05480 0.00000 0.00010 0.01264 0.00656 278 4PX 0.00000 -0.00015 0.00000 0.00000 0.00000 279 4PY 0.00351 0.00000 -0.00001 -0.00123 -0.00101 280 4PZ 0.00023 0.00000 0.00000 -0.00042 -0.00071 Density Matrix: 1 2 3 4 5 1 1 C 1S 0.65856 2 2S 0.56027 0.48968 3 2PX 0.00000 0.00000 0.06717 4 2PY -0.00056 -0.00097 0.00000 0.09074 5 2PZ -0.00055 -0.00092 -0.00000 -0.00132 0.09231 6 3S -0.07877 -0.14150 -0.00000 0.00523 0.00387 7 3PX 0.00000 0.00000 0.10331 0.00000 -0.00000 8 3PY -0.00072 -0.00259 0.00000 0.12454 -0.00339 9 3PZ -0.00084 -0.00203 -0.00000 -0.00337 0.12867 10 4S -0.05804 -0.08343 0.00000 -0.00528 -0.00500 11 4PX 0.00000 0.00000 0.08250 0.00000 -0.00000 12 4PY -0.00280 0.00003 0.00000 0.06431 0.00070 13 4PZ -0.00262 -0.00079 -0.00000 0.00048 0.06352 14 5S -0.05335 -0.07369 -0.00000 -0.00609 0.03486 15 5PX 0.00000 0.00000 0.01410 -0.00000 -0.00000 16 5PY -0.00007 -0.00042 -0.00000 -0.00461 0.01161 17 5PZ -0.00212 -0.00296 -0.00000 0.00947 0.00097 18 6D 0 -0.00076 -0.00163 -0.00000 -0.00036 0.00632 19 6D+1 -0.00000 -0.00000 0.00121 -0.00000 -0.00000 20 6D-1 0.00036 0.00057 -0.00000 -0.00633 0.00088 21 6D+2 0.00089 0.00214 -0.00000 -0.00078 0.00338 22 6D-2 0.00000 0.00000 0.00212 0.00000 -0.00000 23 7D 0 -0.00005 -0.00040 -0.00000 -0.00008 0.00225 24 7D+1 0.00000 0.00000 0.00141 0.00000 -0.00000 25 7D-1 -0.00018 0.00061 -0.00000 -0.00225 0.00164 26 7D+2 -0.00013 -0.00040 -0.00000 -0.00115 0.00086 27 7D-2 0.00000 -0.00000 0.00245 0.00000 -0.00000 28 2 C 1S 0.00536 0.00836 -0.00000 -0.01684 0.00980 29 2S 0.00836 0.01283 -0.00000 -0.02710 0.01577 30 2PX 0.00000 0.00000 0.04349 -0.00000 -0.00000 31 2PY 0.01681 0.02704 -0.00000 -0.05179 0.03348 32 2PZ -0.00981 -0.01576 -0.00000 0.03093 -0.01509 33 3S -0.02011 -0.03107 0.00000 0.07728 -0.04449 34 3PX 0.00000 0.00000 0.06713 -0.00000 -0.00000 35 3PY 0.02735 0.04089 -0.00000 -0.07317 0.04697 36 3PZ -0.01522 -0.02320 -0.00000 0.04406 -0.02061 37 4S -0.00436 -0.00975 0.00000 0.02953 -0.01797 38 4PX 0.00000 0.00000 0.05167 -0.00000 -0.00000 39 4PY 0.01514 0.02059 -0.00000 -0.03927 0.02051 40 4PZ -0.00155 -0.00645 -0.00000 0.01472 -0.01235 41 5S 0.02713 0.03614 0.00000 0.03250 0.01423 42 5PX -0.00000 -0.00000 0.00664 0.00000 0.00000 43 5PY -0.00952 -0.01294 -0.00000 -0.00249 0.01555 44 5PZ 0.00819 0.01023 -0.00000 0.00063 0.00046 45 6D 0 0.00044 0.00071 -0.00000 0.00029 0.00295 46 6D+1 -0.00000 -0.00000 0.00182 -0.00000 -0.00000 47 6D-1 0.00194 0.00295 -0.00000 -0.00521 0.00101 48 6D+2 0.00114 0.00176 -0.00000 -0.00182 0.00279 49 6D-2 -0.00000 -0.00000 -0.00273 0.00000 -0.00000 50 7D 0 0.00233 0.00187 -0.00000 0.00152 0.00622 51 7D+1 -0.00000 -0.00000 0.00246 -0.00000 -0.00000 52 7D-1 0.00563 0.00574 0.00000 -0.00398 -0.00315 53 7D+2 0.00423 0.00455 -0.00000 0.00209 0.00366 54 7D-2 -0.00000 -0.00000 -0.00872 -0.00000 0.00000 55 3 C 1S -0.00105 -0.00164 0.00000 0.00423 -0.00092 56 2S -0.00164 -0.00265 0.00000 0.00670 -0.00142 57 2PX -0.00000 -0.00000 -0.00349 0.00000 0.00000 58 2PY -0.00423 -0.00670 0.00000 0.01136 -0.00302 59 2PZ -0.00092 -0.00142 0.00000 0.00302 0.00138 60 3S 0.00448 0.00787 -0.00000 -0.01984 0.00429 61 3PX -0.00000 -0.00000 -0.00470 0.00000 0.00000 62 3PY -0.00398 -0.00804 0.00000 0.01546 -0.00364 63 3PZ -0.00064 -0.00136 0.00000 0.00434 0.00039 64 4S 0.00054 0.00213 -0.00000 -0.00391 0.00269 65 4PX -0.00000 -0.00000 -0.00940 -0.00000 0.00000 66 4PY 0.00169 -0.00123 -0.00000 0.00951 -0.00024 67 4PZ 0.00200 0.00218 0.00000 0.00278 0.00472 68 5S -0.05940 -0.07508 0.00000 -0.00651 -0.01458 69 5PX 0.00000 0.00000 -0.00401 -0.00000 -0.00000 70 5PY 0.00440 0.00461 -0.00000 0.00587 0.01139 71 5PZ -0.01857 -0.02392 -0.00000 0.00639 0.01316 72 6D 0 0.00038 0.00069 0.00000 -0.00191 0.00075 73 6D+1 -0.00000 -0.00000 -0.00208 -0.00000 0.00000 74 6D-1 0.00033 0.00062 -0.00000 -0.00151 0.00095 75 6D+2 0.00030 0.00038 0.00000 -0.00102 0.00034 76 6D-2 -0.00000 -0.00000 -0.00181 0.00000 0.00000 77 7D 0 0.00435 0.00463 0.00000 -0.00346 0.00272 78 7D+1 -0.00000 -0.00000 -0.00663 0.00000 0.00000 79 7D-1 0.00087 0.00135 -0.00000 -0.00201 0.00075 80 7D+2 0.00145 0.00195 0.00000 -0.00381 0.00119 81 7D-2 -0.00000 -0.00000 -0.00575 0.00000 0.00000 82 4 C 1S -0.00119 -0.00169 -0.00000 0.00196 0.00144 83 2S -0.00169 -0.00267 -0.00000 0.00305 0.00230 84 2PX -0.00000 -0.00000 -0.02657 -0.00000 0.00000 85 2PY -0.00207 -0.00329 -0.00000 0.00165 0.00522 86 2PZ -0.00096 -0.00151 0.00000 0.00510 -0.00442 87 3S 0.00323 0.00659 0.00000 -0.00876 -0.00693 88 3PX -0.00000 -0.00000 -0.03975 -0.00000 0.00000 89 3PY -0.00249 -0.00465 -0.00000 0.00378 0.00806 90 3PZ -0.00068 -0.00169 0.00000 0.00762 -0.00517 91 4S -0.00096 0.00027 0.00000 -0.00734 -0.00964 92 4PX -0.00000 -0.00000 -0.04017 -0.00000 0.00000 93 4PY -0.00517 -0.00596 -0.00000 0.00212 0.00919 94 4PZ -0.00045 -0.00083 0.00000 0.00770 -0.00388 95 5S 0.05705 0.07337 -0.00000 -0.03456 0.04361 96 5PX 0.00000 0.00000 -0.01232 -0.00000 -0.00000 97 5PY -0.00325 -0.00338 0.00000 0.00192 -0.01647 98 5PZ -0.01430 -0.01932 -0.00000 -0.00425 0.01661 99 6D 0 -0.00008 -0.00010 -0.00000 -0.00031 0.00061 100 6D+1 0.00000 0.00000 0.00008 0.00000 -0.00000 101 6D-1 0.00012 0.00016 -0.00000 -0.00026 0.00022 102 6D+2 -0.00009 -0.00016 -0.00000 -0.00004 0.00047 103 6D-2 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 104 7D 0 -0.00178 -0.00194 -0.00000 -0.00102 0.00263 105 7D+1 0.00000 0.00000 -0.00075 0.00000 -0.00000 106 7D-1 0.00153 0.00170 0.00000 -0.00008 0.00004 107 7D+2 -0.00027 -0.00019 -0.00000 -0.00167 0.00090 108 7D-2 -0.00000 -0.00000 -0.00118 0.00000 -0.00000 109 5 C 1S -0.00084 -0.00128 -0.00000 0.00172 0.00341 110 2S -0.00127 -0.00205 -0.00000 0.00268 0.00534 111 2PX 0.00000 0.00000 -0.00312 -0.00000 -0.00000 112 2PY -0.00255 -0.00404 -0.00000 0.00345 0.00751 113 2PZ -0.00416 -0.00665 -0.00000 0.00085 0.01138 114 3S 0.00374 0.00646 0.00000 -0.00707 -0.01686 115 3PX 0.00000 0.00000 -0.00408 -0.00000 -0.00000 116 3PY -0.00255 -0.00477 -0.00000 0.00354 0.01038 117 3PZ -0.00500 -0.00896 -0.00000 0.00138 0.01581 118 4S -0.00828 -0.00849 -0.00000 -0.00465 0.01296 119 4PX 0.00000 0.00000 -0.00822 -0.00000 -0.00000 120 4PY 0.00176 0.00111 -0.00000 0.00547 0.00283 121 4PZ 0.00076 -0.00318 0.00000 0.00366 0.01051 122 5S -0.03687 -0.04739 -0.00000 -0.04265 0.01137 123 5PX 0.00000 0.00000 -0.00727 0.00000 -0.00000 124 5PY 0.01046 0.01324 0.00000 0.02880 -0.03769 125 5PZ 0.00308 0.00482 -0.00000 0.00731 0.01575 126 6D 0 -0.00031 -0.00050 0.00000 0.00008 0.00146 127 6D+1 0.00000 0.00000 -0.00050 -0.00000 -0.00000 128 6D-1 -0.00019 -0.00026 0.00000 0.00026 0.00083 129 6D+2 -0.00023 -0.00051 -0.00000 0.00000 0.00144 130 6D-2 0.00000 0.00000 -0.00250 -0.00000 0.00000 131 7D 0 -0.00247 -0.00282 0.00000 -0.00072 0.00546 132 7D+1 0.00000 0.00000 -0.00180 0.00000 -0.00000 133 7D-1 -0.00252 -0.00282 0.00000 0.00036 0.00371 134 7D+2 -0.00213 -0.00223 0.00000 -0.00116 0.00208 135 7D-2 0.00000 0.00000 -0.00846 -0.00000 0.00000 136 6 C 1S 0.00531 0.00827 0.00000 -0.00029 -0.01930 137 2S 0.00827 0.01269 0.00000 -0.00045 -0.03103 138 2PX -0.00000 -0.00000 0.04398 0.00000 0.00000 139 2PY -0.00022 -0.00040 0.00000 0.00382 -0.00064 140 2PZ 0.01953 0.03142 0.00000 0.00106 -0.07020 141 3S -0.02002 -0.03077 -0.00000 0.00169 0.08838 142 3PX -0.00000 -0.00000 0.06759 0.00000 0.00000 143 3PY 0.00010 -0.00011 0.00000 0.00586 -0.00133 144 3PZ 0.03122 0.04707 0.00000 0.00064 -0.09899 145 4S -0.00156 -0.00690 -0.00000 -0.00096 0.03262 146 4PX -0.00000 -0.00000 0.05322 0.00000 -0.00000 147 4PY 0.00774 0.00670 0.00000 -0.00274 -0.00858 148 4PZ 0.01390 0.02217 -0.00000 0.00038 -0.05187 149 5S 0.05914 0.07921 0.00000 0.05316 -0.06952 150 5PX 0.00000 0.00000 0.00841 -0.00000 -0.00000 151 5PY 0.00618 0.00759 0.00000 0.01753 -0.01684 152 5PZ -0.00897 -0.01154 0.00000 0.01756 -0.00900 153 6D 0 -0.00231 -0.00355 -0.00000 0.00002 0.00600 154 6D+1 0.00000 0.00000 -0.00327 -0.00000 -0.00000 155 6D-1 0.00004 0.00001 -0.00000 -0.00350 -0.00007 156 6D+2 -0.00042 -0.00068 0.00000 -0.00007 0.00122 157 6D-2 0.00000 0.00000 0.00013 0.00000 -0.00000 158 7D 0 -0.00716 -0.00759 0.00000 -0.00046 0.00309 159 7D+1 0.00000 0.00000 -0.00861 -0.00000 0.00000 160 7D-1 -0.00117 -0.00093 -0.00000 -0.00942 0.00176 161 7D+2 -0.00156 -0.00122 0.00000 0.00064 0.00310 162 7D-2 0.00000 0.00000 -0.00261 0.00000 -0.00000 163 7 H 1S 0.00405 0.00698 0.00000 0.00503 -0.01224 164 2S 0.00708 0.01245 0.00000 0.00910 -0.02063 165 3S 0.00845 0.01065 0.00000 0.01393 -0.02679 166 4PX -0.00000 -0.00000 0.00361 0.00000 -0.00000 167 4PY 0.00050 0.00096 0.00000 0.00011 -0.00087 168 4PZ 0.00120 0.00130 -0.00000 0.00030 -0.00273 169 8 Mg 1S -0.00026 -0.00041 -0.00000 0.00005 0.00097 170 2S -0.00070 -0.00113 -0.00000 0.00013 0.00264 171 3S 0.00181 0.00297 0.00000 -0.00034 -0.00698 172 4S 0.00265 0.00423 0.00000 -0.00025 -0.00986 173 5S -0.00783 -0.01175 -0.00000 0.00035 0.02726 174 6S 0.00866 0.00942 0.00000 -0.00698 -0.00767 175 7S 0.00071 0.00081 0.00000 0.00049 -0.00054 176 7PX 0.00000 0.00000 0.00021 0.00000 -0.00000 177 7PY -0.00009 -0.00011 0.00000 -0.00002 -0.00000 178 7PZ -0.00025 -0.00035 -0.00000 -0.00059 0.00023 179 8PX 0.00000 0.00000 0.00084 0.00000 -0.00000 180 8PY 0.00024 0.00036 0.00000 -0.00016 -0.00096 181 8PZ -0.00087 -0.00145 -0.00000 -0.00007 0.00281 182 9PX 0.00000 0.00000 0.00117 0.00000 -0.00000 183 9PY 0.00022 0.00040 0.00000 -0.00024 -0.00129 184 9PZ -0.00130 -0.00206 -0.00000 -0.00012 0.00375 185 10PX -0.00000 -0.00000 -0.00168 -0.00000 0.00000 186 10PY 0.00019 -0.00002 -0.00000 0.00067 0.00123 187 10PZ 0.00243 0.00344 0.00000 0.00023 -0.00539 188 11PX -0.00000 -0.00000 -0.00331 -0.00000 0.00000 189 11PY -0.00162 -0.00186 -0.00000 -0.00072 0.00314 190 11PZ 0.00057 0.00094 0.00000 0.00152 -0.00536 191 12PX -0.00000 -0.00000 0.00220 0.00000 -0.00000 192 12PY -0.00182 -0.00201 -0.00000 -0.00137 0.00376 193 12PZ 0.00511 0.00621 -0.00000 -0.00273 0.00237 194 13D 0 -0.00029 -0.00048 -0.00000 -0.00040 0.00017 195 13D+1 0.00000 0.00000 0.00096 0.00000 -0.00000 196 13D-1 -0.00004 0.00014 0.00000 -0.00038 -0.00091 197 13D+2 -0.00001 -0.00006 -0.00000 -0.00012 0.00033 198 13D-2 0.00000 0.00000 -0.00045 0.00000 0.00000 199 14D 0 -0.00132 -0.00174 -0.00000 -0.00153 0.00193 200 14D+1 0.00000 0.00000 0.00063 0.00000 -0.00000 201 14D-1 0.00117 0.00126 0.00000 0.00023 -0.00162 202 14D+2 -0.00011 -0.00018 -0.00000 -0.00003 0.00071 203 14D-2 -0.00000 0.00000 -0.00150 -0.00000 0.00000 204 9 Br 1S -0.00001 -0.00002 -0.00000 0.00000 0.00005 205 2S -0.00003 -0.00005 -0.00000 0.00001 0.00016 206 3S 0.00009 0.00014 0.00000 -0.00002 -0.00042 207 4S 0.00012 0.00018 0.00000 -0.00002 -0.00053 208 5S -0.00025 -0.00038 -0.00000 0.00004 0.00108 209 6S -0.00024 -0.00038 -0.00000 0.00009 0.00132 210 7S 0.00038 0.00060 0.00000 -0.00025 -0.00264 211 8S 0.00161 0.00236 0.00000 0.00067 -0.00384 212 9S -0.00739 -0.00860 0.00000 0.00481 0.00070 213 9PX -0.00000 -0.00000 -0.00096 0.00000 0.00000 214 9PY 0.00051 0.00056 0.00000 0.00025 -0.00089 215 9PZ 0.00246 0.00285 0.00000 -0.00140 -0.00001 216 10PX 0.00000 0.00000 0.00001 0.00000 -0.00000 217 10PY 0.00001 0.00001 0.00000 -0.00000 -0.00002 218 10PZ -0.00003 -0.00005 -0.00000 0.00000 0.00013 219 11PX 0.00000 0.00000 0.00012 0.00000 -0.00000 220 11PY 0.00005 0.00009 0.00000 -0.00001 -0.00013 221 11PZ -0.00028 -0.00045 -0.00000 0.00003 0.00109 222 12PX -0.00000 -0.00000 -0.00028 -0.00000 0.00000 223 12PY -0.00014 -0.00024 -0.00000 0.00002 0.00034 224 12PZ 0.00074 0.00118 0.00000 -0.00011 -0.00289 225 13PX -0.00000 -0.00000 -0.00013 -0.00000 0.00000 226 13PY -0.00003 -0.00007 -0.00000 0.00001 0.00013 227 13PZ 0.00021 0.00035 0.00000 -0.00006 -0.00102 228 14PX 0.00000 0.00000 0.00031 0.00000 -0.00000 229 14PY 0.00007 0.00016 0.00000 -0.00003 -0.00028 230 14PZ -0.00049 -0.00081 -0.00000 0.00012 0.00236 231 15PX 0.00000 0.00000 0.00048 0.00000 -0.00000 232 15PY 0.00032 0.00051 0.00000 -0.00004 -0.00067 233 15PZ -0.00170 -0.00263 -0.00000 0.00020 0.00599 234 16PX 0.00000 0.00000 0.00071 0.00000 -0.00000 235 16PY -0.00013 -0.00000 0.00000 -0.00007 -0.00021 236 16PZ -0.00128 -0.00217 -0.00000 -0.00026 0.00530 237 17D 0 0.00003 0.00005 0.00000 -0.00002 -0.00017 238 17D+1 -0.00000 -0.00000 -0.00008 -0.00000 0.00000 239 17D-1 -0.00000 -0.00002 -0.00000 -0.00007 0.00028 240 17D+2 0.00000 0.00001 0.00000 0.00003 0.00003 241 17D-2 -0.00000 -0.00000 0.00002 0.00000 -0.00000 242 18D 0 0.00002 0.00004 0.00000 -0.00001 -0.00009 243 18D+1 0.00000 -0.00000 -0.00003 -0.00000 0.00000 244 18D-1 0.00001 0.00001 -0.00000 -0.00003 0.00009 245 18D+2 -0.00001 0.00000 0.00000 0.00001 -0.00000 246 18D-2 -0.00000 -0.00000 0.00004 0.00000 -0.00000 247 19D 0 -0.00004 -0.00007 -0.00000 0.00000 0.00017 248 19D+1 -0.00000 0.00000 0.00004 0.00000 -0.00000 249 19D-1 -0.00003 -0.00003 0.00000 0.00000 0.00003 250 19D+2 0.00001 0.00001 -0.00000 -0.00000 0.00002 251 19D-2 0.00000 0.00000 -0.00006 -0.00000 -0.00000 252 20D 0 0.00001 0.00005 -0.00000 0.00005 0.00018 253 20D+1 0.00000 0.00000 0.00008 0.00000 -0.00000 254 20D-1 0.00006 0.00006 0.00000 -0.00001 -0.00007 255 20D+2 -0.00001 -0.00001 -0.00000 -0.00000 -0.00003 256 20D-2 -0.00000 -0.00000 0.00010 0.00000 -0.00000 257 10 H 1S -0.00035 -0.00049 0.00000 0.00073 -0.00022 258 2S 0.00011 0.00035 0.00000 -0.00197 -0.00170 259 3S 0.00239 0.00263 0.00000 -0.00112 -0.00462 260 4PX -0.00000 -0.00000 -0.00265 -0.00000 0.00000 261 4PY 0.00005 -0.00005 -0.00000 0.00029 0.00037 262 4PZ 0.00011 0.00004 0.00000 0.00046 -0.00021 263 11 H 1S -0.00249 -0.00408 0.00000 0.00819 -0.00457 264 2S -0.00478 -0.00661 0.00000 0.01317 -0.00871 265 3S -0.00330 -0.00479 0.00000 0.01577 -0.00843 266 4PX 0.00000 0.00000 -0.00058 -0.00000 0.00000 267 4PY 0.00039 0.00025 -0.00000 0.00036 0.00046 268 4PZ 0.00013 0.00001 0.00000 0.00053 -0.00007 269 12 H 1S 0.00385 0.00660 -0.00000 -0.00784 0.01052 270 2S 0.00669 0.01157 -0.00000 -0.01309 0.01860 271 3S 0.00641 0.00788 -0.00000 -0.01211 0.02098 272 4PX 0.00000 0.00000 0.00362 0.00000 -0.00000 273 4PY 0.00141 0.00166 -0.00000 -0.00230 0.00157 274 4PZ -0.00006 0.00029 -0.00000 0.00028 -0.00016 275 13 H 1S -0.02022 -0.03169 -0.00000 -0.06597 -0.03770 276 2S -0.03213 -0.04695 -0.00000 -0.09953 -0.05724 277 3S 0.00213 0.00313 -0.00000 -0.03879 -0.02288 278 4PX -0.00000 0.00000 0.00574 0.00000 -0.00000 279 4PY -0.00553 -0.00741 0.00000 -0.00614 -0.00588 280 4PZ -0.00320 -0.00429 -0.00000 -0.00586 0.00075 6 7 8 9 10 6 3S 0.43546 7 3PX -0.00000 0.15892 8 3PY 0.01456 0.00000 0.17119 9 3PZ 0.00933 -0.00000 -0.00678 0.17956 10 4S 0.20102 0.00000 -0.00384 -0.00450 0.10992 11 4PX 0.00000 0.12677 0.00000 -0.00000 -0.00000 12 4PY -0.01189 0.00000 0.08797 -0.00022 -0.00664 13 4PZ -0.00735 -0.00000 -0.00064 0.08863 -0.00317 14 5S 0.16904 -0.00000 -0.00495 0.05068 0.06753 15 5PX -0.00000 0.02156 -0.00000 -0.00000 0.00000 16 5PY 0.00222 -0.00000 -0.00651 0.01657 0.00884 17 5PZ 0.00683 -0.00000 0.01328 0.00110 -0.00536 18 6D 0 0.00574 -0.00000 -0.00055 0.00886 0.00225 19 6D+1 0.00000 0.00188 -0.00000 -0.00000 0.00000 20 6D-1 -0.00165 -0.00000 -0.00868 0.00140 -0.00031 21 6D+2 -0.00798 -0.00000 -0.00128 0.00464 -0.00397 22 6D-2 -0.00000 0.00327 0.00000 -0.00000 -0.00000 23 7D 0 0.00193 -0.00000 -0.00025 0.00326 0.00240 24 7D+1 -0.00000 0.00220 0.00000 -0.00000 -0.00000 25 7D-1 -0.00430 -0.00000 -0.00304 0.00234 -0.00402 26 7D+2 0.00180 -0.00000 -0.00157 0.00128 0.00061 27 7D-2 0.00000 0.00380 0.00000 -0.00000 0.00000 28 2 C 1S -0.02002 -0.00000 -0.02679 0.01617 -0.00652 29 2S -0.03099 -0.00000 -0.04043 0.02401 -0.01229 30 2PX -0.00000 0.06708 -0.00000 -0.00000 -0.00000 31 2PY -0.07665 -0.00000 -0.07258 0.04747 -0.03166 32 2PZ 0.04509 -0.00000 0.04432 -0.02107 0.02178 33 3S 0.07786 0.00000 0.10720 -0.06177 0.03709 34 3PX -0.00000 0.10355 -0.00000 -0.00000 -0.00000 35 3PY -0.10657 -0.00000 -0.10251 0.06659 -0.04401 36 3PZ 0.06247 -0.00000 0.06302 -0.02878 0.02998 37 4S 0.03275 0.00000 0.04116 -0.02535 0.00486 38 4PX -0.00000 0.07960 0.00000 -0.00000 -0.00000 39 4PY -0.04716 -0.00000 -0.05464 0.02929 -0.01866 40 4PZ 0.03071 -0.00000 0.02173 -0.01730 0.00974 41 5S -0.07826 0.00000 0.04387 0.01670 -0.07623 42 5PX 0.00000 0.01019 0.00000 0.00000 0.00000 43 5PY 0.02925 -0.00000 -0.00276 0.02166 0.00652 44 5PZ -0.01956 -0.00000 0.00058 0.00046 -0.00826 45 6D 0 -0.00205 -0.00000 0.00024 0.00405 -0.00124 46 6D+1 0.00000 0.00282 0.00000 -0.00000 0.00000 47 6D-1 -0.00789 0.00000 -0.00728 0.00143 -0.00309 48 6D+2 -0.00458 -0.00000 -0.00262 0.00383 -0.00232 49 6D-2 0.00000 -0.00417 0.00000 -0.00000 0.00000 50 7D 0 0.00055 0.00000 0.00190 0.00864 0.00103 51 7D+1 0.00000 0.00384 -0.00000 -0.00000 -0.00000 52 7D-1 -0.00626 0.00000 -0.00548 -0.00445 -0.00224 53 7D+2 -0.00584 -0.00000 0.00269 0.00501 -0.00189 54 7D-2 0.00000 -0.01332 -0.00000 0.00000 0.00000 55 3 C 1S 0.00448 0.00000 0.00398 -0.00064 0.00054 56 2S 0.00787 0.00000 0.00804 -0.00136 0.00213 57 2PX 0.00000 -0.00470 0.00000 0.00000 -0.00000 58 2PY 0.01984 0.00000 0.01546 -0.00434 0.00391 59 2PZ 0.00429 0.00000 0.00364 0.00039 0.00269 60 3S -0.02612 -0.00000 -0.02931 0.00544 -0.01060 61 3PX 0.00000 -0.00619 0.00000 0.00000 0.00000 62 3PY 0.02931 0.00000 0.02108 -0.00522 0.00645 63 3PZ 0.00544 0.00000 0.00522 -0.00160 0.00359 64 4S -0.01060 -0.00000 -0.00645 0.00359 0.00551 65 4PX 0.00000 -0.01371 -0.00000 0.00000 -0.00000 66 4PY 0.01623 0.00000 0.01290 -0.00048 -0.00057 67 4PZ -0.00269 0.00000 0.00327 0.00537 0.00079 68 5S 0.14996 0.00000 -0.00612 -0.02147 0.04570 69 5PX -0.00000 -0.00614 -0.00000 -0.00000 -0.00000 70 5PY -0.00536 -0.00000 0.00813 0.01518 -0.01793 71 5PZ 0.04952 -0.00000 0.01000 0.01719 -0.00014 72 6D 0 -0.00221 0.00000 -0.00276 0.00096 -0.00078 73 6D+1 0.00000 -0.00315 -0.00000 0.00000 0.00000 74 6D-1 -0.00214 -0.00000 -0.00204 0.00137 -0.00037 75 6D+2 -0.00068 0.00000 -0.00141 0.00044 -0.00028 76 6D-2 0.00000 -0.00280 0.00000 0.00000 0.00000 77 7D 0 -0.00596 0.00000 -0.00501 0.00383 -0.00153 78 7D+1 0.00000 -0.01009 -0.00000 0.00000 0.00000 79 7D-1 -0.00377 -0.00000 -0.00275 0.00120 0.00116 80 7D+2 -0.00430 0.00000 -0.00536 0.00166 -0.00199 81 7D-2 0.00000 -0.00883 0.00000 0.00000 0.00000 82 4 C 1S 0.00303 -0.00000 0.00173 0.00189 -0.00062 83 2S 0.00628 -0.00000 0.00380 0.00332 -0.00061 84 2PX 0.00000 -0.03991 -0.00000 0.00000 0.00000 85 2PY 0.00937 -0.00000 0.00391 0.00797 0.01366 86 2PZ 0.00459 0.00000 0.00768 -0.00507 0.00140 87 3S -0.02169 0.00000 -0.01441 -0.01090 0.00070 88 3PX 0.00000 -0.05966 -0.00000 0.00000 0.00000 89 3PY 0.01529 -0.00000 0.00751 0.01214 0.01950 90 3PZ 0.00721 0.00000 0.01135 -0.00567 0.00171 91 4S -0.00600 0.00000 -0.01073 -0.01328 0.00231 92 4PX 0.00000 -0.06061 -0.00000 0.00000 -0.00000 93 4PY 0.00997 -0.00000 0.00400 0.01303 0.00928 94 4PZ 0.00311 0.00000 0.01102 -0.00443 0.00729 95 5S -0.15203 -0.00000 -0.04937 0.06365 -0.05144 96 5PX -0.00000 -0.01864 -0.00000 -0.00000 0.00000 97 5PY 0.00414 0.00000 0.00235 -0.02234 0.02006 98 5PZ 0.04384 -0.00000 -0.00456 0.02225 -0.00661 99 6D 0 0.00018 -0.00000 -0.00048 0.00069 -0.00031 100 6D+1 -0.00000 0.00011 0.00000 -0.00000 0.00000 101 6D-1 -0.00040 -0.00000 -0.00024 0.00039 0.00112 102 6D+2 0.00047 -0.00000 -0.00003 0.00060 -0.00010 103 6D-2 0.00000 -0.00005 0.00000 -0.00000 -0.00000 104 7D 0 0.00270 -0.00000 -0.00130 0.00343 -0.00189 105 7D+1 -0.00000 -0.00116 0.00000 -0.00000 0.00000 106 7D-1 -0.00263 0.00000 -0.00017 0.00028 0.00275 107 7D+2 -0.00022 -0.00000 -0.00226 0.00110 -0.00130 108 7D-2 0.00000 -0.00188 -0.00000 -0.00000 -0.00000 109 5 C 1S 0.00366 -0.00000 0.00110 0.00309 0.01031 110 2S 0.00640 -0.00000 0.00263 0.00635 0.01647 111 2PX -0.00000 -0.00407 -0.00000 -0.00000 0.00000 112 2PY 0.01241 -0.00000 0.00358 0.00990 -0.00049 113 2PZ 0.01859 -0.00000 0.00230 0.01456 -0.00455 114 3S -0.02161 0.00000 -0.00976 -0.02498 -0.04546 115 3PX -0.00000 -0.00514 -0.00000 -0.00000 0.00000 116 3PY 0.01705 -0.00000 0.00326 0.01368 -0.00043 117 3PZ 0.02797 -0.00000 0.00361 0.02013 -0.00680 118 4S 0.00799 -0.00000 -0.00586 0.01621 -0.02512 119 4PX -0.00000 -0.01177 -0.00000 0.00000 0.00000 120 4PY 0.00295 -0.00000 0.00632 0.00282 -0.00618 121 4PZ 0.02163 0.00000 0.00613 0.01332 -0.00434 122 5S 0.09618 -0.00000 -0.05978 0.02185 0.16939 123 5PX -0.00000 -0.01137 0.00000 -0.00000 -0.00000 124 5PY -0.02649 0.00000 0.03883 -0.05468 -0.01493 125 5PZ -0.01369 -0.00000 0.00979 0.02138 0.00859 126 6D 0 0.00142 0.00000 0.00008 0.00204 0.00025 127 6D+1 -0.00000 -0.00081 -0.00000 -0.00000 -0.00000 128 6D-1 0.00051 0.00000 0.00049 0.00126 0.00064 129 6D+2 0.00193 -0.00000 0.00003 0.00201 0.00076 130 6D-2 -0.00000 -0.00382 -0.00000 0.00000 -0.00000 131 7D 0 0.00446 0.00000 -0.00095 0.00742 -0.00170 132 7D+1 -0.00000 -0.00280 0.00000 -0.00000 0.00000 133 7D-1 0.00423 0.00000 0.00059 0.00531 0.00158 134 7D+2 0.00272 -0.00000 -0.00156 0.00284 -0.00100 135 7D-2 -0.00000 -0.01293 -0.00000 0.00000 -0.00000 136 6 C 1S -0.01980 0.00000 0.00020 -0.03141 -0.00644 137 2S -0.03055 0.00000 -0.00009 -0.04703 -0.01421 138 2PX 0.00000 0.06793 0.00000 0.00000 0.00000 139 2PY 0.00202 0.00000 0.00595 0.00058 -0.00410 140 2PZ -0.08933 0.00000 0.00147 -0.09886 -0.03280 141 3S 0.07634 -0.00000 0.00206 0.12340 0.04894 142 3PX 0.00000 0.10442 0.00000 0.00000 0.00000 143 3PY 0.00206 0.00000 0.00902 0.00017 -0.00550 144 3PZ -0.12422 0.00000 0.00094 -0.13928 -0.04563 145 4S 0.02980 -0.00000 -0.00154 0.04508 0.01149 146 4PX 0.00000 0.08215 0.00000 -0.00000 0.00000 147 4PY -0.00108 0.00000 -0.00318 -0.01070 -0.00309 148 4PZ -0.06284 -0.00000 0.00041 -0.07273 -0.01415 149 5S -0.17312 0.00000 0.07036 -0.10287 -0.09855 150 5PX -0.00000 0.01305 0.00000 -0.00000 -0.00000 151 5PY -0.01384 0.00000 0.02428 -0.02460 -0.02071 152 5PZ 0.02329 0.00000 0.02487 -0.01312 -0.00223 153 6D 0 0.00944 -0.00000 0.00012 0.00842 0.00363 154 6D+1 -0.00000 -0.00502 -0.00000 -0.00000 -0.00000 155 6D-1 -0.00001 -0.00000 -0.00472 0.00003 -0.00029 156 6D+2 0.00206 0.00000 -0.00006 0.00173 0.00036 157 6D-2 -0.00000 0.00023 0.00000 -0.00000 -0.00000 158 7D 0 0.00943 0.00000 -0.00036 0.00409 0.00093 159 7D+1 -0.00000 -0.01318 -0.00000 0.00000 -0.00000 160 7D-1 -0.00052 -0.00000 -0.01276 0.00242 -0.00283 161 7D+2 -0.00037 0.00000 0.00094 0.00418 -0.00167 162 7D-2 -0.00000 -0.00393 0.00000 -0.00000 0.00000 163 7 H 1S -0.02302 0.00000 0.00618 -0.01856 -0.00029 164 2S -0.04087 0.00000 0.01141 -0.03115 -0.00591 165 3S -0.02131 0.00000 0.01854 -0.03815 -0.00278 166 4PX -0.00000 0.00557 0.00000 -0.00000 0.00000 167 4PY -0.00346 0.00000 0.00010 -0.00138 -0.00044 168 4PZ -0.00162 -0.00000 0.00048 -0.00372 -0.00107 169 8 Mg 1S 0.00117 -0.00000 -0.00003 0.00140 0.00491 170 2S 0.00320 -0.00000 -0.00008 0.00387 0.01371 171 3S -0.00850 0.00000 -0.00000 -0.01021 -0.02989 172 4S -0.01193 0.00000 -0.00011 -0.01381 -0.02104 173 5S 0.03139 -0.00000 0.00181 0.03531 -0.04430 174 6S -0.01159 0.00000 -0.00929 -0.01154 -0.04599 175 7S -0.00125 0.00000 0.00063 -0.00069 0.00182 176 7PX -0.00000 0.00031 0.00000 -0.00000 0.00000 177 7PY 0.00016 0.00000 -0.00001 -0.00004 -0.00018 178 7PZ 0.00079 -0.00000 -0.00075 0.00022 -0.00245 179 8PX -0.00000 0.00138 0.00000 -0.00000 0.00000 180 8PY -0.00092 0.00000 -0.00038 -0.00126 -0.00325 181 8PZ 0.00449 -0.00000 -0.00014 0.00355 -0.01065 182 9PX -0.00000 0.00191 0.00000 -0.00000 0.00000 183 9PY -0.00121 0.00000 -0.00055 -0.00167 -0.00438 184 9PZ 0.00606 -0.00000 -0.00022 0.00473 -0.01439 185 10PX 0.00000 -0.00248 -0.00000 0.00000 0.00000 186 10PY 0.00116 -0.00000 0.00088 0.00144 -0.00234 187 10PZ -0.00770 0.00000 -0.00020 -0.00689 -0.00388 188 11PX 0.00000 -0.00496 -0.00000 0.00000 -0.00000 189 11PY 0.00309 -0.00000 -0.00086 0.00432 -0.00018 190 11PZ -0.00302 0.00000 0.00189 -0.00699 0.00770 191 12PX 0.00000 0.00350 0.00000 -0.00000 -0.00000 192 12PY 0.00284 -0.00000 -0.00182 0.00555 0.00247 193 12PZ -0.01143 -0.00000 -0.00426 0.00411 0.02756 194 13D 0 0.00149 -0.00000 -0.00043 0.00003 -0.00523 195 13D+1 -0.00000 0.00141 0.00000 -0.00000 0.00000 196 13D-1 -0.00107 0.00000 -0.00045 -0.00142 -0.00142 197 13D+2 0.00029 -0.00000 -0.00017 0.00046 0.00007 198 13D-2 0.00000 -0.00069 0.00000 0.00000 0.00000 199 14D 0 0.00394 -0.00000 -0.00190 0.00235 -0.00815 200 14D+1 -0.00000 0.00083 0.00000 -0.00000 0.00000 201 14D-1 -0.00168 0.00000 0.00032 -0.00272 -0.00373 202 14D+2 0.00051 -0.00000 -0.00003 0.00096 -0.00051 203 14D-2 -0.00000 -0.00230 -0.00000 0.00000 0.00000 204 9 Br 1S 0.00001 -0.00000 0.00001 0.00008 0.00054 205 2S 0.00003 -0.00000 0.00004 0.00025 0.00175 206 3S -0.00009 0.00000 -0.00011 -0.00068 -0.00484 207 4S -0.00015 0.00000 -0.00012 -0.00085 -0.00577 208 5S 0.00037 -0.00000 0.00023 0.00171 0.01083 209 6S 0.00025 -0.00000 0.00033 0.00203 0.01293 210 7S -0.00020 0.00000 -0.00079 -0.00354 -0.01675 211 8S -0.00527 0.00000 0.00043 -0.00487 -0.00074 212 9S 0.01396 0.00000 0.00690 0.00057 -0.01018 213 9PX 0.00000 -0.00152 0.00000 0.00000 -0.00000 214 9PY -0.00080 0.00000 0.00035 -0.00145 -0.00176 215 9PZ -0.00459 0.00000 -0.00204 0.00012 0.00385 216 10PX -0.00000 0.00002 -0.00000 -0.00000 -0.00000 217 10PY -0.00003 0.00000 0.00002 -0.00011 -0.00065 218 10PZ 0.00010 -0.00000 0.00002 0.00018 0.00098 219 11PX -0.00000 0.00013 -0.00000 -0.00000 -0.00000 220 11PY -0.00027 0.00000 0.00013 -0.00090 -0.00540 221 11PZ 0.00081 -0.00000 0.00019 0.00148 0.00795 222 12PX 0.00000 -0.00040 -0.00000 0.00000 0.00000 223 12PY 0.00065 -0.00000 -0.00029 0.00239 0.01513 224 12PZ -0.00234 0.00000 -0.00032 -0.00395 -0.01846 225 13PX 0.00000 -0.00019 -0.00000 0.00000 0.00000 226 13PY 0.00023 -0.00000 -0.00010 0.00087 0.00544 227 13PZ -0.00068 0.00000 -0.00014 -0.00141 -0.00696 228 14PX -0.00000 0.00044 0.00000 -0.00000 -0.00000 229 14PY -0.00053 0.00000 0.00022 -0.00193 -0.01203 230 14PZ 0.00159 -0.00000 0.00032 0.00324 0.01537 231 15PX -0.00000 0.00064 0.00000 -0.00000 -0.00000 232 15PY -0.00130 0.00000 0.00056 -0.00453 -0.02815 233 15PZ 0.00526 -0.00000 0.00069 0.00814 0.03478 234 16PX -0.00000 0.00107 0.00000 -0.00000 -0.00000 235 16PY -0.00052 0.00000 0.00031 -0.00258 -0.01782 236 16PZ 0.00538 -0.00000 0.00003 0.00703 0.01683 237 17D 0 -0.00017 0.00000 0.00009 -0.00051 0.00247 238 17D+1 0.00000 0.00009 0.00000 -0.00000 -0.00000 239 17D-1 0.00085 0.00000 0.00047 -0.00208 -0.02678 240 17D+2 -0.00003 0.00000 -0.00018 -0.00026 -0.00806 241 17D-2 -0.00000 -0.00002 -0.00000 0.00000 0.00000 242 18D 0 -0.00013 0.00000 0.00003 -0.00021 0.00120 243 18D+1 0.00000 0.00002 0.00000 -0.00000 -0.00000 244 18D-1 0.00028 0.00000 0.00016 -0.00074 -0.00933 245 18D+2 -0.00002 0.00000 -0.00006 -0.00011 -0.00278 246 18D-2 -0.00000 0.00004 -0.00000 0.00000 0.00000 247 19D 0 0.00028 -0.00000 0.00001 0.00020 -0.00136 248 19D+1 -0.00000 0.00008 0.00000 -0.00000 0.00000 249 19D-1 0.00008 0.00000 0.00003 -0.00005 -0.00111 250 19D+2 0.00001 -0.00000 -0.00001 0.00002 -0.00047 251 19D-2 -0.00000 -0.00009 -0.00000 0.00000 0.00000 252 20D 0 -0.00006 -0.00000 0.00002 0.00025 -0.00182 253 20D+1 0.00000 0.00012 0.00000 -0.00000 0.00000 254 20D-1 -0.00003 -0.00000 -0.00003 0.00003 0.00074 255 20D+2 -0.00001 -0.00000 -0.00001 -0.00005 -0.00012 256 20D-2 0.00000 0.00015 0.00000 -0.00000 0.00000 257 10 H 1S 0.00162 0.00000 0.00207 0.00061 0.01151 258 2S -0.00084 0.00000 -0.00094 -0.00098 0.01449 259 3S -0.00380 0.00000 -0.00062 -0.00526 0.00765 260 4PX -0.00000 -0.00400 -0.00000 0.00000 0.00000 261 4PY 0.00041 -0.00000 0.00030 0.00045 -0.00071 262 4PZ 0.00026 0.00000 0.00058 -0.00029 -0.00066 263 11 H 1S 0.01220 0.00000 0.01097 -0.00600 0.00125 264 2S 0.01630 0.00000 0.01766 -0.01160 0.00200 265 3S 0.01259 0.00000 0.02164 -0.01164 0.00372 266 4PX -0.00000 -0.00083 -0.00000 0.00000 0.00000 267 4PY 0.00042 -0.00000 0.00055 0.00058 0.00037 268 4PZ 0.00062 0.00000 0.00068 -0.00014 -0.00010 269 12 H 1S -0.02149 -0.00000 -0.01223 0.01458 -0.01126 270 2S -0.03735 -0.00000 -0.02019 0.02564 -0.02109 271 3S -0.01503 -0.00000 -0.01775 0.02907 -0.00944 272 4PX 0.00000 0.00557 0.00000 -0.00000 0.00000 273 4PY -0.00285 -0.00000 -0.00320 0.00223 -0.00119 274 4PZ -0.00225 -0.00000 0.00025 -0.00025 -0.00123 275 13 H 1S 0.08306 -0.00000 -0.08828 -0.05044 0.04757 276 2S 0.11282 -0.00000 -0.13333 -0.07655 0.06743 277 3S -0.00924 -0.00000 -0.05270 -0.03088 0.00357 278 4PX 0.00000 0.00882 0.00000 -0.00000 0.00000 279 4PY 0.01593 0.00000 -0.00804 -0.00792 0.00859 280 4PZ 0.00922 -0.00000 -0.00789 0.00124 0.00473 11 12 13 14 15 11 4PX 0.10231 12 4PY 0.00000 0.04814 13 4PZ -0.00000 0.00310 0.04721 14 5S -0.00000 -0.01589 0.02273 0.39376 15 5PX 0.01837 0.00000 -0.00000 -0.00000 0.00425 16 5PY 0.00000 -0.00049 0.00943 0.00522 0.00000 17 5PZ -0.00000 0.00287 0.00235 0.10162 -0.00000 18 6D 0 -0.00000 -0.00027 0.00437 0.00188 0.00000 19 6D+1 0.00140 -0.00000 -0.00000 0.00000 0.00002 20 6D-1 -0.00000 -0.00466 0.00038 0.00267 0.00000 21 6D+2 -0.00000 -0.00017 0.00257 -0.00260 0.00000 22 6D-2 0.00252 0.00000 -0.00000 -0.00000 0.00044 23 7D 0 -0.00000 0.00039 0.00243 -0.00674 0.00000 24 7D+1 0.00152 0.00000 -0.00000 0.00000 -0.00038 25 7D-1 -0.00000 -0.00253 0.00088 0.01232 -0.00000 26 7D+2 -0.00000 -0.00084 0.00066 0.00012 0.00000 27 7D-2 0.00282 0.00000 -0.00000 -0.00000 0.00058 28 2 C 1S -0.00000 -0.00900 0.01137 0.00425 0.00000 29 2S -0.00000 -0.01601 0.01367 0.00645 0.00000 30 2PX 0.05201 -0.00000 -0.00000 -0.00000 0.00978 31 2PY -0.00000 -0.03442 0.02227 0.01606 0.00000 32 2PZ -0.00000 0.01931 -0.01624 0.06683 -0.00000 33 3S 0.00000 0.05056 -0.02471 -0.01823 -0.00000 34 3PX 0.08016 -0.00000 -0.00000 -0.00000 0.01493 35 3PY -0.00000 -0.04864 0.03117 0.02234 0.00000 36 3PZ -0.00000 0.02760 -0.02195 0.09151 -0.00000 37 4S 0.00000 0.01599 -0.01084 0.00520 -0.00000 38 4PX 0.06249 0.00000 -0.00000 -0.00000 0.01259 39 4PY 0.00000 -0.02671 0.01353 0.00970 0.00000 40 4PZ -0.00000 0.00718 -0.01422 0.05951 -0.00000 41 5S 0.00000 0.01745 0.00301 -0.12994 -0.00000 42 5PX 0.00825 0.00000 -0.00000 0.00000 0.00191 43 5PY -0.00000 -0.00346 0.00623 -0.01670 0.00000 44 5PZ -0.00000 0.00189 -0.00001 -0.03954 0.00000 45 6D 0 -0.00000 0.00026 0.00253 -0.00336 0.00000 46 6D+1 0.00209 0.00000 -0.00000 0.00000 0.00028 47 6D-1 0.00000 -0.00353 0.00069 0.00020 0.00000 48 6D+2 -0.00000 -0.00107 0.00213 -0.00276 0.00000 49 6D-2 -0.00355 0.00000 0.00000 0.00000 -0.00070 50 7D 0 0.00000 0.00126 0.00451 -0.00268 0.00000 51 7D+1 0.00268 -0.00000 -0.00000 0.00000 0.00018 52 7D-1 0.00000 -0.00283 -0.00206 -0.00200 0.00000 53 7D+2 -0.00000 0.00204 0.00310 -0.00792 0.00000 54 7D-2 -0.01134 -0.00000 0.00000 0.00000 -0.00223 55 3 C 1S -0.00000 -0.00169 0.00200 -0.05940 0.00000 56 2S -0.00000 0.00123 0.00218 -0.07508 0.00000 57 2PX -0.00940 -0.00000 0.00000 0.00000 -0.00401 58 2PY 0.00000 0.00951 -0.00278 0.00651 0.00000 59 2PZ 0.00000 0.00024 0.00472 -0.01458 -0.00000 60 3S -0.00000 -0.01623 -0.00269 0.14996 -0.00000 61 3PX -0.01371 -0.00000 0.00000 0.00000 -0.00614 62 3PY 0.00000 0.01290 -0.00327 0.00612 0.00000 63 3PZ 0.00000 0.00048 0.00537 -0.02147 -0.00000 64 4S -0.00000 0.00057 0.00079 0.04570 0.00000 65 4PX -0.01722 -0.00000 0.00000 0.00000 -0.00519 66 4PY -0.00000 0.00606 -0.00208 0.01922 -0.00000 67 4PZ 0.00000 0.00208 0.00699 -0.02209 0.00000 68 5S 0.00000 -0.01922 -0.02209 0.26078 -0.00000 69 5PX -0.00519 0.00000 0.00000 -0.00000 -0.00040 70 5PY -0.00000 0.00111 0.00268 -0.01404 0.00000 71 5PZ 0.00000 -0.00276 0.00107 0.04388 0.00000 72 6D 0 0.00000 -0.00140 0.00081 -0.00192 -0.00000 73 6D+1 -0.00288 -0.00000 0.00000 0.00000 -0.00082 74 6D-1 -0.00000 -0.00098 0.00098 -0.00039 -0.00000 75 6D+2 0.00000 -0.00068 0.00053 -0.00390 0.00000 76 6D-2 -0.00212 0.00000 0.00000 0.00000 -0.00036 77 7D 0 0.00000 -0.00189 0.00229 -0.01076 0.00000 78 7D+1 -0.00895 -0.00000 0.00000 0.00000 -0.00244 79 7D-1 0.00000 -0.00042 0.00120 -0.00707 0.00000 80 7D+2 0.00000 -0.00250 0.00083 -0.00034 0.00000 81 7D-2 -0.00710 -0.00000 0.00000 0.00000 -0.00142 82 4 C 1S -0.00000 0.00221 0.00325 0.07530 0.00000 83 2S -0.00000 0.00290 0.00382 0.09422 -0.00000 84 2PX -0.03999 -0.00000 0.00000 0.00000 -0.01336 85 2PY -0.00000 0.00528 0.00852 0.00097 -0.00000 86 2PZ 0.00000 0.00538 -0.00645 -0.05472 0.00000 87 3S 0.00000 -0.00649 -0.00683 -0.18557 0.00000 88 3PX -0.06015 -0.00000 0.00000 0.00000 -0.02033 89 3PY -0.00000 0.00826 0.01247 0.00775 -0.00000 90 3PZ 0.00000 0.00773 -0.00842 -0.07463 0.00000 91 4S 0.00000 -0.00659 -0.00747 -0.08155 -0.00000 92 4PX -0.05836 -0.00000 0.00000 0.00000 -0.01802 93 4PY -0.00000 0.00373 0.00974 0.00522 -0.00000 94 4PZ 0.00000 0.00887 -0.00446 -0.05989 0.00000 95 5S -0.00000 -0.01621 0.04797 -0.16086 0.00000 96 5PX -0.01745 0.00000 0.00000 -0.00000 -0.00540 97 5PY -0.00000 0.00600 -0.00700 -0.00606 0.00000 98 5PZ 0.00000 -0.01215 0.00075 0.04457 0.00000 99 6D 0 -0.00000 -0.00042 0.00053 0.00431 -0.00000 100 6D+1 0.00023 0.00000 -0.00000 -0.00000 0.00001 101 6D-1 -0.00000 0.00012 0.00056 -0.00055 -0.00000 102 6D+2 -0.00000 -0.00003 0.00050 0.00580 -0.00000 103 6D-2 0.00023 0.00000 -0.00000 -0.00000 0.00034 104 7D 0 -0.00000 -0.00149 0.00169 0.01693 -0.00000 105 7D+1 -0.00079 0.00000 -0.00000 -0.00000 -0.00047 106 7D-1 0.00000 0.00071 0.00026 -0.01026 0.00000 107 7D+2 -0.00000 -0.00135 0.00082 0.00411 -0.00000 108 7D-2 -0.00104 -0.00000 -0.00000 -0.00000 0.00047 109 5 C 1S 0.00000 0.00302 0.00003 -0.00672 0.00000 110 2S 0.00000 0.00613 0.00294 -0.01470 0.00000 111 2PX -0.00948 -0.00000 0.00000 -0.00000 -0.00867 112 2PY -0.00000 0.00233 0.00035 -0.04098 0.00000 113 2PZ -0.00000 -0.00098 0.00944 0.08221 -0.00000 114 3S 0.00000 -0.02043 -0.01859 0.04591 -0.00000 115 3PX -0.01371 -0.00000 0.00000 -0.00000 -0.01317 116 3PY -0.00000 0.00241 0.00053 -0.05639 0.00000 117 3PZ -0.00000 -0.00150 0.01301 0.12154 -0.00000 118 4S -0.00000 -0.01390 0.01001 0.12718 -0.00000 119 4PX -0.01672 -0.00000 0.00000 -0.00000 -0.01143 120 4PY -0.00000 0.00395 -0.00332 -0.04362 0.00000 121 4PZ 0.00000 -0.00117 0.00970 0.10053 -0.00000 122 5S -0.00000 0.00017 0.03998 0.08762 0.00000 123 5PX -0.00747 -0.00000 -0.00000 -0.00000 0.00008 124 5PY 0.00000 0.02295 -0.02695 -0.01832 -0.00000 125 5PZ -0.00000 0.01071 0.02326 0.02907 0.00000 126 6D 0 0.00000 -0.00018 0.00093 0.00301 -0.00000 127 6D+1 -0.00030 -0.00000 -0.00000 -0.00000 0.00030 128 6D-1 0.00000 0.00019 0.00097 0.00490 0.00000 129 6D+2 -0.00000 0.00006 0.00114 0.00464 -0.00000 130 6D-2 -0.00325 -0.00000 0.00000 -0.00000 -0.00064 131 7D 0 0.00000 -0.00182 0.00369 0.01887 -0.00000 132 7D+1 -0.00195 0.00000 0.00000 -0.00000 -0.00013 133 7D-1 0.00000 0.00019 0.00241 0.00274 0.00000 134 7D+2 -0.00000 -0.00158 0.00129 0.01304 -0.00000 135 7D-2 -0.01100 -0.00000 0.00000 -0.00000 -0.00217 136 6 C 1S 0.00000 0.00652 -0.01561 -0.01116 -0.00000 137 2S 0.00000 0.00433 -0.02370 -0.00726 -0.00000 138 2PX 0.05177 0.00000 -0.00000 0.00000 0.00473 139 2PY 0.00000 -0.00345 -0.00069 0.04242 0.00000 140 2PZ -0.00000 0.00370 -0.04548 -0.06170 -0.00000 141 3S -0.00000 0.00681 0.06348 -0.01077 0.00000 142 3PX 0.07946 0.00000 -0.00000 0.00000 0.00719 143 3PY 0.00000 -0.00406 -0.00114 0.05605 0.00000 144 3PZ -0.00000 0.00427 -0.06398 -0.08386 -0.00000 145 4S -0.00000 0.00010 0.01843 -0.03458 0.00000 146 4PX 0.06312 0.00000 -0.00000 0.00000 0.00592 147 4PY 0.00000 -0.00625 -0.00706 0.01539 0.00000 148 4PZ -0.00000 0.00479 -0.03185 -0.05904 0.00000 149 5S 0.00000 0.04619 -0.05273 -0.37282 0.00000 150 5PX 0.00951 0.00000 -0.00000 -0.00000 -0.00009 151 5PY 0.00000 0.00890 -0.01323 0.00389 -0.00000 152 5PZ 0.00000 0.00752 -0.00701 0.11000 -0.00000 153 6D 0 -0.00000 -0.00027 0.00404 0.00849 -0.00000 154 6D+1 -0.00414 -0.00000 0.00000 -0.00000 -0.00085 155 6D-1 -0.00000 -0.00297 -0.00001 0.00482 -0.00000 156 6D+2 0.00000 -0.00022 0.00082 0.00401 -0.00000 157 6D-2 -0.00009 0.00000 -0.00000 -0.00000 -0.00031 158 7D 0 0.00000 -0.00132 0.00182 0.01793 -0.00000 159 7D+1 -0.01102 -0.00000 0.00000 -0.00000 -0.00249 160 7D-1 -0.00000 -0.00749 0.00114 0.01448 -0.00000 161 7D+2 0.00000 0.00044 0.00241 0.00721 -0.00000 162 7D-2 -0.00390 0.00000 0.00000 -0.00000 -0.00145 163 7 H 1S 0.00000 0.01064 -0.00690 -0.06894 0.00000 164 2S 0.00000 0.01676 -0.01214 -0.10115 0.00000 165 3S 0.00000 0.01381 -0.01887 -0.06375 0.00000 166 4PX 0.00426 0.00000 -0.00000 -0.00000 0.00038 167 4PY 0.00000 0.00092 -0.00028 -0.00689 0.00000 168 4PZ -0.00000 -0.00023 -0.00191 0.00228 -0.00000 169 8 Mg 1S -0.00000 0.00128 0.00272 0.01355 0.00000 170 2S -0.00000 0.00359 0.00757 0.03496 0.00000 171 3S 0.00000 -0.00771 -0.01766 -0.07777 -0.00000 172 4S 0.00000 -0.00486 -0.01665 -0.08758 0.00000 173 5S -0.00000 -0.01510 0.00588 0.12660 -0.00000 174 6S 0.00000 -0.01464 -0.02272 -0.04589 -0.00000 175 7S 0.00000 0.00104 0.00058 0.00012 0.00000 176 7PX 0.00032 0.00000 0.00000 -0.00000 0.00013 177 7PY 0.00000 -0.00004 -0.00016 -0.00064 0.00000 178 7PZ -0.00000 -0.00120 -0.00061 0.00384 -0.00000 179 8PX 0.00127 0.00000 -0.00000 0.00000 0.00339 180 8PY 0.00000 0.00246 -0.00514 -0.00036 -0.00000 181 8PZ -0.00000 -0.00360 -0.00100 -0.07967 -0.00000 182 9PX 0.00176 0.00000 -0.00000 0.00000 0.00464 183 9PY 0.00000 0.00333 -0.00697 -0.00029 -0.00000 184 9PZ -0.00000 -0.00488 -0.00136 -0.10803 -0.00000 185 10PX -0.00289 -0.00000 0.00000 0.00000 -0.00124 186 10PY -0.00000 0.00057 -0.00132 -0.01069 0.00000 187 10PZ 0.00000 -0.00027 -0.00830 -0.06063 0.00000 188 11PX -0.00521 -0.00000 0.00000 -0.00000 -0.00257 189 11PY -0.00000 -0.00094 0.00123 -0.00524 0.00000 190 11PZ 0.00000 0.00266 -0.00143 -0.00246 0.00000 191 12PX 0.00178 -0.00000 -0.00000 0.00000 -0.00060 192 12PY -0.00000 -0.00088 0.00329 0.00720 -0.00000 193 12PZ -0.00000 0.00874 0.01448 -0.00381 0.00000 194 13D 0 -0.00000 -0.00189 -0.00156 0.00785 -0.00000 195 13D+1 0.00170 0.00000 -0.00000 -0.00000 0.00100 196 13D-1 0.00000 -0.00041 -0.00121 -0.00385 0.00000 197 13D+2 -0.00000 -0.00013 0.00025 0.00093 -0.00000 198 13D-2 -0.00059 0.00000 0.00000 -0.00000 -0.00012 199 14D 0 0.00000 -0.00359 -0.00185 0.01029 -0.00000 200 14D+1 0.00171 0.00000 -0.00000 -0.00000 0.00145 201 14D-1 0.00000 -0.00010 -0.00306 -0.01240 0.00000 202 14D+2 -0.00000 -0.00029 0.00042 0.00279 -0.00000 203 14D-2 -0.00196 0.00000 0.00000 0.00000 -0.00039 204 9 Br 1S -0.00000 0.00012 0.00036 0.00202 0.00000 205 2S -0.00000 0.00038 0.00116 0.00651 0.00000 206 3S 0.00000 -0.00103 -0.00321 -0.01790 -0.00000 207 4S 0.00000 -0.00122 -0.00387 -0.02221 -0.00000 208 5S -0.00000 0.00227 0.00737 0.04381 0.00000 209 6S -0.00000 0.00298 0.00866 0.05120 0.00000 210 7S 0.00000 -0.00505 -0.01170 -0.07911 -0.00000 211 8S 0.00000 0.00089 -0.00545 -0.06341 0.00000 212 9S 0.00000 -0.00306 -0.00602 0.01010 -0.00000 213 9PX -0.00094 -0.00000 -0.00000 0.00000 0.00010 214 9PY 0.00000 0.00002 -0.00150 -0.00682 0.00000 215 9PZ -0.00000 0.00130 0.00231 -0.00517 0.00000 216 10PX 0.00001 -0.00000 -0.00000 -0.00000 0.00001 217 10PY 0.00000 -0.00008 -0.00041 -0.00326 0.00000 218 10PZ -0.00000 0.00028 0.00060 -0.00036 0.00000 219 11PX 0.00006 -0.00000 -0.00000 -0.00000 0.00008 220 11PY 0.00000 -0.00068 -0.00344 -0.02655 0.00000 221 11PZ -0.00000 0.00224 0.00490 -0.00131 0.00000 222 12PX -0.00012 0.00000 0.00000 0.00000 0.00006 223 12PY -0.00000 0.00161 0.00985 0.06198 -0.00000 224 12PZ 0.00000 -0.00511 -0.01234 -0.02913 -0.00000 225 13PX -0.00008 0.00000 0.00000 0.00000 0.00001 226 13PY -0.00000 0.00059 0.00354 0.02259 -0.00000 227 13PZ 0.00000 -0.00197 -0.00454 -0.00935 -0.00000 228 14PX 0.00018 -0.00000 -0.00000 -0.00000 -0.00000 229 14PY 0.00000 -0.00132 -0.00781 -0.05101 0.00000 230 14PZ -0.00000 0.00434 0.01009 0.01894 0.00000 231 15PX 0.00023 -0.00000 -0.00000 -0.00000 0.00004 232 15PY 0.00000 -0.00306 -0.01827 -0.11837 0.00000 233 15PZ -0.00000 0.00953 0.02370 0.05063 0.00000 234 16PX 0.00027 -0.00000 -0.00000 -0.00000 -0.00032 235 16PY 0.00000 -0.00199 -0.01151 -0.07649 0.00000 236 16PZ -0.00000 0.00405 0.01456 0.04458 0.00000 237 17D 0 0.00000 0.00244 -0.00082 -0.05453 0.00000 238 17D+1 0.00009 -0.00000 -0.00000 -0.00000 -0.00325 239 17D-1 0.00000 -0.00413 -0.01726 -0.03535 0.00000 240 17D+2 0.00000 0.00116 -0.00380 0.01178 0.00000 241 17D-2 -0.00000 0.00000 0.00000 0.00000 0.00190 242 18D 0 0.00000 0.00096 -0.00016 -0.01894 0.00000 243 18D+1 0.00005 -0.00000 -0.00000 -0.00000 -0.00110 244 18D-1 0.00000 -0.00144 -0.00602 -0.01229 0.00000 245 18D+2 0.00000 0.00041 -0.00132 0.00404 0.00000 246 18D-2 0.00004 0.00000 0.00000 0.00000 0.00067 247 19D 0 0.00000 -0.00033 -0.00060 -0.00322 -0.00000 248 19D+1 0.00003 0.00000 0.00000 0.00000 -0.00021 249 19D-1 0.00000 -0.00018 -0.00072 -0.00065 -0.00000 250 19D+2 0.00000 0.00005 -0.00020 0.00074 0.00000 251 19D-2 -0.00008 0.00000 0.00000 0.00000 0.00009 252 20D 0 0.00000 -0.00040 -0.00109 -0.00537 -0.00000 253 20D+1 0.00029 0.00000 0.00000 0.00000 0.00017 254 20D-1 -0.00000 0.00005 0.00044 0.00547 -0.00000 255 20D+2 -0.00000 0.00005 -0.00009 0.00011 0.00000 256 20D-2 0.00013 0.00000 0.00000 -0.00000 0.00007 257 10 H 1S 0.00000 0.00430 0.00176 -0.06421 0.00000 258 2S 0.00000 0.00394 0.00191 -0.08921 0.00000 259 3S 0.00000 0.00179 -0.00257 -0.03221 0.00000 260 4PX -0.00388 -0.00000 0.00000 0.00000 -0.00122 261 4PY -0.00000 -0.00017 0.00018 0.01056 -0.00000 262 4PZ 0.00000 0.00012 -0.00049 0.00288 0.00000 263 11 H 1S 0.00000 0.00687 -0.00715 0.04281 0.00000 264 2S 0.00000 0.01151 -0.01202 0.05668 0.00000 265 3S 0.00000 0.01214 -0.00774 -0.00186 0.00000 266 4PX -0.00111 -0.00000 0.00000 -0.00000 -0.00036 267 4PY -0.00000 0.00002 0.00087 -0.00676 -0.00000 268 4PZ 0.00000 0.00044 -0.00019 0.00412 -0.00000 269 12 H 1S -0.00000 -0.00442 0.01370 -0.05802 0.00000 270 2S -0.00000 -0.00775 0.02241 -0.08316 0.00000 271 3S -0.00000 -0.00813 0.01751 -0.01988 0.00000 272 4PX 0.00436 0.00000 -0.00000 0.00000 0.00086 273 4PY 0.00000 -0.00155 0.00102 0.00073 0.00000 274 4PZ -0.00000 0.00031 0.00081 -0.00807 -0.00000 275 13 H 1S -0.00000 -0.05106 -0.02936 0.03005 0.00000 276 2S -0.00000 -0.07621 -0.04417 0.03952 0.00000 277 3S -0.00000 -0.02788 -0.01598 -0.00037 0.00000 278 4PX 0.00710 0.00000 -0.00000 -0.00000 0.00126 279 4PY 0.00000 -0.00498 -0.00453 0.00451 0.00000 280 4PZ -0.00000 -0.00450 0.00024 0.00486 -0.00000 16 17 18 19 20 16 5PY 0.03163 17 5PZ -0.03512 0.07732 18 6D 0 0.00083 -0.00060 0.00061 19 6D+1 -0.00000 0.00000 -0.00000 0.00018 20 6D-1 0.00095 -0.00093 0.00002 0.00000 0.00066 21 6D+2 0.00044 -0.00040 0.00019 -0.00000 0.00008 22 6D-2 -0.00000 0.00000 -0.00000 -0.00005 -0.00000 23 7D 0 0.00090 -0.00260 0.00045 -0.00000 -0.00007 24 7D+1 -0.00000 0.00000 -0.00000 0.00052 0.00000 25 7D-1 -0.00006 0.00326 -0.00007 0.00000 0.00059 26 7D+2 0.00030 -0.00069 0.00019 -0.00000 0.00009 27 7D-2 -0.00000 -0.00000 -0.00000 -0.00024 -0.00000 28 2 C 1S 0.00758 -0.00665 0.00062 -0.00000 0.00182 29 2S 0.00962 -0.00928 0.00093 -0.00000 0.00282 30 2PX 0.00000 -0.00000 0.00000 -0.00146 0.00000 31 2PY 0.00803 0.00034 0.00007 0.00000 0.00502 32 2PZ 0.00039 0.01361 -0.00310 0.00000 -0.00089 33 3S -0.01949 0.02186 -0.00259 0.00000 -0.00762 34 3PX 0.00000 -0.00000 0.00000 -0.00220 -0.00000 35 3PY 0.01110 0.00067 0.00012 0.00000 0.00703 36 3PZ -0.00010 0.01963 -0.00424 0.00000 -0.00141 37 4S -0.01824 0.02373 -0.00078 0.00000 -0.00342 38 4PX 0.00000 -0.00000 0.00000 -0.00203 -0.00000 39 4PY 0.00483 -0.00054 -0.00008 -0.00000 0.00384 40 4PZ -0.00335 0.01555 -0.00232 0.00000 -0.00017 41 5S -0.07610 0.04683 0.00025 -0.00000 -0.00456 42 5PX 0.00000 -0.00000 0.00000 -0.00035 -0.00000 43 5PY 0.02214 -0.04200 0.00136 -0.00000 0.00056 44 5PZ -0.00416 -0.00643 -0.00006 -0.00000 -0.00016 45 6D 0 -0.00031 0.00006 0.00030 -0.00000 -0.00008 46 6D+1 0.00000 0.00000 -0.00000 -0.00002 0.00000 47 6D-1 0.00020 0.00038 -0.00014 0.00000 0.00044 48 6D+2 0.00021 -0.00066 0.00023 -0.00000 0.00013 49 6D-2 -0.00000 0.00000 0.00000 -0.00013 -0.00000 50 7D 0 0.00111 -0.00148 0.00045 -0.00000 0.00001 51 7D+1 -0.00000 0.00000 -0.00000 0.00003 0.00000 52 7D-1 -0.00076 0.00075 -0.00035 0.00000 0.00029 53 7D+2 0.00043 -0.00177 0.00020 -0.00000 -0.00013 54 7D-2 -0.00000 0.00000 0.00000 -0.00041 -0.00000 55 3 C 1S -0.00440 -0.01857 0.00038 -0.00000 -0.00033 56 2S -0.00461 -0.02392 0.00069 -0.00000 -0.00062 57 2PX 0.00000 -0.00000 0.00000 -0.00208 -0.00000 58 2PY 0.00587 -0.00639 0.00191 -0.00000 -0.00151 59 2PZ -0.01139 0.01316 0.00075 0.00000 -0.00095 60 3S 0.00536 0.04952 -0.00221 0.00000 0.00214 61 3PX 0.00000 -0.00000 0.00000 -0.00315 -0.00000 62 3PY 0.00813 -0.01000 0.00276 -0.00000 -0.00204 63 3PZ -0.01518 0.01719 0.00096 0.00000 -0.00137 64 4S 0.01793 -0.00014 -0.00078 0.00000 0.00037 65 4PX 0.00000 0.00000 0.00000 -0.00288 -0.00000 66 4PY 0.00111 0.00276 0.00140 -0.00000 -0.00098 67 4PZ -0.00268 0.00107 0.00081 0.00000 -0.00098 68 5S 0.01404 0.04388 -0.00192 0.00000 0.00039 69 5PX -0.00000 0.00000 -0.00000 -0.00082 -0.00000 70 5PY -0.00563 -0.00428 0.00056 -0.00000 -0.00050 71 5PZ 0.00428 -0.00626 0.00068 0.00000 -0.00068 72 6D 0 -0.00056 0.00068 0.00010 -0.00000 0.00008 73 6D+1 -0.00000 0.00000 -0.00000 0.00003 0.00000 74 6D-1 -0.00050 0.00068 -0.00008 0.00000 0.00015 75 6D+2 -0.00039 -0.00069 0.00012 -0.00000 0.00002 76 6D-2 0.00000 -0.00000 0.00000 0.00006 -0.00000 77 7D 0 0.00149 -0.00400 0.00028 -0.00000 0.00021 78 7D+1 -0.00000 0.00000 -0.00000 0.00015 0.00000 79 7D-1 0.00123 -0.00322 0.00002 0.00000 0.00023 80 7D+2 0.00031 -0.00021 0.00008 -0.00000 0.00023 81 7D-2 -0.00000 0.00000 -0.00000 0.00008 0.00000 82 4 C 1S 0.01062 0.00511 -0.00006 0.00000 0.00011 83 2S 0.01123 0.00947 -0.00004 0.00000 0.00012 84 2PX -0.00000 0.00000 0.00000 -0.00005 0.00000 85 2PY -0.00167 0.00089 0.00026 -0.00000 0.00025 86 2PZ 0.00432 -0.02650 -0.00043 0.00000 -0.00024 87 3S -0.01340 -0.03158 -0.00003 -0.00000 -0.00022 88 3PX -0.00000 0.00000 0.00000 -0.00005 0.00000 89 3PY -0.00241 0.00331 0.00044 -0.00000 0.00023 90 3PZ 0.00672 -0.03729 -0.00050 0.00000 -0.00039 91 4S -0.01884 0.00012 -0.00034 0.00000 0.00057 92 4PX -0.00000 0.00000 0.00000 -0.00013 0.00000 93 4PY -0.00113 0.00226 0.00049 -0.00000 0.00002 94 4PZ 0.00985 -0.03244 -0.00033 0.00000 -0.00025 95 5S -0.01122 -0.01359 0.00231 -0.00000 0.00327 96 5PX -0.00000 0.00000 -0.00000 0.00027 0.00000 97 5PY 0.00564 -0.00165 -0.00063 0.00000 0.00000 98 5PZ 0.00432 -0.00874 0.00037 0.00000 0.00042 99 6D 0 -0.00093 0.00293 0.00001 -0.00000 -0.00009 100 6D+1 0.00000 -0.00000 -0.00000 0.00015 0.00000 101 6D-1 0.00001 -0.00025 -0.00007 0.00000 0.00013 102 6D+2 -0.00018 0.00210 0.00002 -0.00000 -0.00007 103 6D-2 0.00000 -0.00000 0.00000 -0.00010 -0.00000 104 7D 0 -0.00344 0.00954 0.00007 -0.00000 -0.00018 105 7D+1 0.00000 -0.00000 -0.00000 0.00047 0.00000 106 7D-1 0.00255 -0.00606 -0.00015 0.00000 0.00032 107 7D+2 -0.00173 0.00363 0.00002 -0.00000 -0.00013 108 7D-2 0.00000 -0.00000 0.00000 -0.00035 -0.00000 109 5 C 1S 0.00361 -0.00570 -0.00004 -0.00000 -0.00046 110 2S 0.00697 -0.01118 0.00010 -0.00000 -0.00079 111 2PX 0.00000 -0.00000 -0.00000 0.00250 0.00000 112 2PY -0.00028 -0.00982 0.00048 0.00000 -0.00220 113 2PZ -0.01443 0.04274 0.00009 -0.00000 -0.00194 114 3S -0.02198 0.03379 -0.00092 0.00000 0.00246 115 3PX 0.00000 -0.00000 -0.00000 0.00382 0.00000 116 3PY -0.00085 -0.01274 0.00064 0.00000 -0.00299 117 3PZ -0.02176 0.06337 0.00005 -0.00000 -0.00285 118 4S -0.01115 0.05344 0.00075 -0.00000 0.00043 119 4PX 0.00000 -0.00000 -0.00000 0.00314 0.00000 120 4PY 0.00312 -0.01509 0.00016 0.00000 -0.00242 121 4PZ -0.00916 0.04369 -0.00001 -0.00000 -0.00149 122 5S 0.18371 -0.15654 0.00264 0.00000 0.00578 123 5PX -0.00000 0.00000 -0.00000 -0.00027 -0.00000 124 5PY -0.03109 0.03768 -0.00211 -0.00000 -0.00368 125 5PZ 0.02602 -0.00587 0.00083 -0.00000 -0.00124 126 6D 0 0.00011 0.00069 0.00012 0.00000 0.00004 127 6D+1 0.00000 -0.00000 -0.00000 -0.00011 0.00000 128 6D-1 0.00041 0.00060 0.00008 0.00000 0.00021 129 6D+2 0.00006 0.00140 0.00008 0.00000 -0.00007 130 6D-2 -0.00000 -0.00000 -0.00000 -0.00012 -0.00000 131 7D 0 -0.00125 0.00716 0.00039 -0.00000 0.00006 132 7D+1 0.00000 -0.00000 -0.00000 -0.00002 0.00000 133 7D-1 0.00158 -0.00202 0.00030 0.00000 0.00013 134 7D+2 -0.00055 0.00430 0.00014 -0.00000 0.00008 135 7D-2 -0.00000 -0.00000 -0.00000 -0.00039 -0.00000 136 6 C 1S -0.00602 0.00876 -0.00225 0.00000 -0.00018 137 2S -0.00686 0.01072 -0.00344 0.00000 -0.00024 138 2PX 0.00000 -0.00000 0.00000 0.00323 0.00000 139 2PY 0.00667 -0.00129 0.00009 0.00000 0.00355 140 2PZ -0.01091 -0.00094 -0.00575 0.00000 -0.00030 141 3S 0.01159 -0.02003 0.00910 -0.00000 0.00062 142 3PX 0.00000 -0.00000 0.00000 0.00495 0.00000 143 3PY 0.00923 -0.00248 0.00017 0.00000 0.00485 144 3PZ -0.01530 -0.00056 -0.00808 0.00000 -0.00027 145 4S 0.00409 -0.02129 0.00366 -0.00000 -0.00001 146 4PX 0.00000 -0.00000 0.00000 0.00422 0.00000 147 4PY 0.00612 -0.00827 -0.00051 0.00000 0.00285 148 4PZ -0.00298 -0.00881 -0.00418 -0.00000 -0.00028 149 5S -0.03638 -0.06285 -0.00371 -0.00000 -0.00804 150 5PX 0.00000 -0.00000 -0.00000 0.00123 0.00000 151 5PY -0.03830 0.04695 -0.00133 0.00000 -0.00203 152 5PZ -0.04874 0.09142 -0.00088 -0.00000 -0.00175 153 6D 0 0.00037 0.00153 0.00050 -0.00000 0.00001 154 6D+1 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 155 6D-1 0.00020 0.00058 0.00002 0.00000 0.00048 156 6D+2 0.00002 0.00108 0.00005 -0.00000 -0.00002 157 6D-2 -0.00000 -0.00000 -0.00000 0.00010 -0.00000 158 7D 0 -0.00210 0.00670 0.00024 -0.00000 -0.00015 159 7D+1 -0.00000 -0.00000 -0.00000 0.00010 0.00000 160 7D-1 -0.00170 0.00552 0.00010 0.00000 0.00062 161 7D+2 -0.00086 0.00342 0.00020 -0.00000 -0.00015 162 7D-2 0.00000 -0.00000 -0.00000 0.00018 -0.00000 163 7 H 1S -0.00645 -0.00682 -0.00069 -0.00000 -0.00314 164 2S -0.01084 -0.00790 -0.00130 -0.00000 -0.00493 165 3S -0.00429 -0.00995 -0.00201 0.00000 -0.00261 166 4PX -0.00000 -0.00000 0.00000 0.00029 -0.00000 167 4PY -0.00088 -0.00036 -0.00002 0.00000 -0.00029 168 4PZ -0.00008 0.00048 -0.00025 0.00000 0.00020 169 8 Mg 1S 0.00413 0.00058 0.00001 -0.00000 -0.00007 170 2S 0.01117 0.00114 0.00004 -0.00000 -0.00019 171 3S -0.02187 -0.00559 -0.00014 0.00000 0.00050 172 4S -0.01006 -0.01937 -0.00028 0.00000 0.00072 173 5S -0.07242 0.10622 0.00118 -0.00000 -0.00199 174 6S -0.06386 0.04048 -0.00054 0.00000 -0.00021 175 7S 0.00339 -0.00281 -0.00006 0.00000 -0.00001 176 7PX 0.00000 -0.00000 0.00000 -0.00004 -0.00000 177 7PY 0.00066 -0.00129 0.00001 -0.00000 0.00000 178 7PZ -0.00338 0.00417 0.00001 0.00000 -0.00002 179 8PX -0.00000 0.00000 -0.00000 -0.00021 0.00000 180 8PY -0.04099 0.04829 -0.00003 -0.00000 0.00005 181 8PZ -0.01000 -0.00877 0.00008 -0.00000 -0.00031 182 9PX -0.00000 0.00000 -0.00000 -0.00029 0.00000 183 9PY -0.05593 0.06597 -0.00004 -0.00000 0.00007 184 9PZ -0.01344 -0.01199 0.00010 -0.00000 -0.00042 185 10PX 0.00000 0.00000 0.00000 0.00039 -0.00000 186 10PY -0.00009 -0.00526 0.00009 0.00000 -0.00014 187 10PZ -0.00748 -0.01456 -0.00009 0.00000 0.00061 188 11PX -0.00000 0.00000 0.00000 0.00061 0.00000 189 11PY 0.00702 -0.01245 0.00022 0.00000 0.00022 190 11PZ 0.01225 -0.01304 -0.00028 0.00000 0.00046 191 12PX -0.00000 0.00000 -0.00000 0.00027 0.00000 192 12PY -0.00051 0.00295 0.00026 0.00000 0.00028 193 12PZ 0.04455 -0.03850 0.00020 -0.00000 -0.00002 194 13D 0 -0.00793 0.00949 -0.00005 0.00000 -0.00012 195 13D+1 0.00000 -0.00000 0.00000 -0.00028 -0.00000 196 13D-1 0.00266 -0.00579 -0.00006 -0.00000 0.00010 197 13D+2 0.00017 0.00011 0.00003 0.00000 0.00002 198 13D-2 0.00000 -0.00000 0.00000 -0.00002 -0.00000 199 14D 0 -0.01310 0.01463 0.00008 0.00000 -0.00021 200 14D+1 0.00000 -0.00000 -0.00000 -0.00044 -0.00000 201 14D-1 0.00469 -0.01154 -0.00011 -0.00000 -0.00015 202 14D+2 -0.00054 0.00135 0.00005 0.00000 0.00001 203 14D-2 0.00000 0.00000 0.00000 -0.00007 0.00000 204 9 Br 1S 0.00090 -0.00017 0.00000 -0.00000 -0.00000 205 2S 0.00290 -0.00053 0.00000 -0.00000 -0.00001 206 3S -0.00808 0.00155 -0.00000 0.00000 0.00002 207 4S -0.00963 0.00158 -0.00000 0.00000 0.00003 208 5S 0.01798 -0.00232 0.00000 -0.00000 -0.00006 209 6S 0.02070 -0.00262 0.00002 -0.00000 -0.00007 210 7S -0.02273 -0.00282 -0.00011 0.00000 0.00013 211 8S -0.00069 -0.01851 -0.00013 0.00000 0.00031 212 9S -0.02071 0.02005 0.00005 0.00000 0.00011 213 9PX -0.00000 0.00000 0.00000 -0.00007 0.00000 214 9PY 0.00274 -0.00663 -0.00007 -0.00000 -0.00006 215 9PZ 0.00755 -0.00765 -0.00000 -0.00000 -0.00005 216 10PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 217 10PY 0.00185 -0.00409 -0.00000 -0.00000 -0.00000 218 10PZ 0.00150 -0.00116 0.00000 -0.00000 -0.00001 219 11PX -0.00000 -0.00000 -0.00000 -0.00004 0.00000 220 11PY 0.01488 -0.03304 -0.00001 -0.00000 -0.00001 221 11PZ 0.01248 -0.00925 0.00002 -0.00000 -0.00011 222 12PX 0.00000 0.00000 0.00000 0.00010 -0.00000 223 12PY -0.03183 0.07218 0.00002 0.00000 0.00001 224 12PZ -0.03530 0.01797 -0.00004 0.00000 0.00030 225 13PX 0.00000 0.00000 0.00000 0.00003 -0.00000 226 13PY -0.01169 0.02648 0.00001 0.00000 0.00000 227 13PZ -0.01305 0.00710 -0.00002 0.00000 0.00010 228 14PX -0.00000 -0.00000 -0.00000 -0.00007 0.00000 229 14PY 0.02671 -0.06030 -0.00002 -0.00000 -0.00001 230 14PZ 0.02839 -0.01570 0.00004 -0.00000 -0.00023 231 15PX -0.00000 -0.00000 -0.00000 -0.00020 0.00000 232 15PY 0.06175 -0.13947 -0.00004 -0.00000 -0.00003 233 15PZ 0.06482 -0.03323 0.00011 -0.00000 -0.00060 234 16PX -0.00000 -0.00000 -0.00000 -0.00001 0.00000 235 16PY 0.04030 -0.09091 -0.00001 0.00000 0.00002 236 16PZ 0.03374 -0.01065 0.00011 -0.00000 -0.00051 237 17D 0 -0.00120 -0.01461 0.00000 0.00000 -0.00001 238 17D+1 -0.00000 0.00000 0.00000 0.00002 0.00000 239 17D-1 0.01269 -0.02842 0.00013 -0.00000 0.00004 240 17D+2 0.01953 -0.01316 0.00003 -0.00000 -0.00002 241 17D-2 -0.00000 0.00000 -0.00000 -0.00002 -0.00000 242 18D 0 0.00012 -0.00554 0.00000 0.00000 -0.00000 243 18D+1 -0.00000 0.00000 0.00000 -0.00000 0.00000 244 18D-1 0.00440 -0.00987 0.00004 -0.00000 0.00002 245 18D+2 0.00677 -0.00457 0.00001 -0.00000 -0.00001 246 18D-2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 247 19D 0 -0.00260 0.00124 0.00001 -0.00000 -0.00001 248 19D+1 0.00000 0.00000 -0.00000 0.00001 0.00000 249 19D-1 0.00005 -0.00008 0.00001 0.00000 0.00000 250 19D+2 0.00107 -0.00070 0.00000 -0.00000 0.00000 251 19D-2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 252 20D 0 -0.00400 0.00144 0.00003 0.00000 0.00002 253 20D+1 0.00000 0.00000 0.00000 -0.00006 -0.00000 254 20D-1 -0.00305 0.00688 -0.00000 -0.00000 -0.00000 255 20D+2 0.00046 -0.00036 -0.00000 0.00000 -0.00000 256 20D-2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 257 10 H 1S -0.00135 -0.01938 -0.00018 0.00000 0.00048 258 2S -0.00329 -0.02570 -0.00046 0.00000 0.00093 259 3S 0.00402 -0.01812 -0.00070 0.00000 0.00132 260 4PX -0.00000 0.00000 0.00000 -0.00000 0.00000 261 4PY 0.00064 0.00250 0.00004 -0.00000 -0.00000 262 4PZ 0.00052 0.00006 -0.00003 0.00000 -0.00004 263 11 H 1S 0.01054 -0.00048 0.00045 -0.00000 -0.00062 264 2S 0.01672 -0.00416 0.00056 -0.00000 -0.00104 265 3S 0.00679 -0.00981 0.00014 -0.00000 -0.00136 266 4PX -0.00000 -0.00000 -0.00000 -0.00019 -0.00000 267 4PY -0.00153 -0.00028 0.00003 -0.00000 -0.00005 268 4PZ 0.00041 0.00098 0.00007 0.00000 -0.00009 269 12 H 1S -0.00459 -0.00526 0.00256 -0.00000 -0.00094 270 2S -0.00795 -0.00529 0.00394 -0.00000 -0.00134 271 3S -0.00040 -0.00178 0.00246 -0.00000 0.00032 272 4PX 0.00000 -0.00000 -0.00000 -0.00014 0.00000 273 4PY 0.00041 -0.00012 0.00002 -0.00000 0.00023 274 4PZ -0.00107 -0.00023 0.00022 -0.00000 -0.00027 275 13 H 1S 0.00000 -0.00628 -0.00146 0.00000 0.00446 276 2S 0.00112 -0.01168 -0.00244 0.00000 0.00693 277 3S 0.00197 -0.00613 -0.00187 0.00000 0.00336 278 4PX 0.00000 -0.00000 -0.00000 0.00010 -0.00000 279 4PY -0.00016 -0.00081 -0.00018 0.00000 0.00035 280 4PZ 0.00039 -0.00030 0.00018 0.00000 0.00039 21 22 23 24 25 21 6D+2 0.00032 22 6D-2 -0.00000 0.00013 23 7D 0 0.00017 -0.00000 0.00105 24 7D+1 -0.00000 -0.00023 -0.00000 0.00158 25 7D-1 0.00010 -0.00000 -0.00056 0.00000 0.00180 26 7D+2 0.00010 -0.00000 0.00027 -0.00000 0.00002 27 7D-2 -0.00000 0.00027 -0.00000 -0.00084 -0.00000 28 2 C 1S 0.00126 -0.00000 0.00105 -0.00000 0.00632 29 2S 0.00190 -0.00000 0.00096 -0.00000 0.00622 30 2PX 0.00000 0.00292 0.00000 -0.00617 -0.00000 31 2PY 0.00197 -0.00000 -0.00284 0.00000 0.00453 32 2PZ -0.00298 0.00000 -0.00633 0.00000 0.00162 33 3S -0.00491 0.00000 -0.00077 0.00000 -0.00545 34 3PX 0.00000 0.00449 0.00000 -0.00939 -0.00000 35 3PY 0.00273 -0.00000 -0.00401 0.00000 0.00623 36 3PZ -0.00412 -0.00000 -0.00866 0.00000 0.00212 37 4S -0.00183 0.00000 -0.00092 0.00000 -0.00049 38 4PX 0.00000 0.00355 0.00000 -0.00822 -0.00000 39 4PY 0.00114 -0.00000 -0.00207 -0.00000 0.00350 40 4PZ -0.00198 -0.00000 -0.00527 0.00000 0.00230 41 5S 0.00170 0.00000 -0.00206 0.00000 -0.00002 42 5PX -0.00000 0.00048 -0.00000 -0.00134 -0.00000 43 5PY 0.00003 -0.00000 -0.00040 -0.00000 0.00075 44 5PZ 0.00040 -0.00000 0.00056 0.00000 -0.00105 45 6D 0 0.00020 -0.00000 0.00042 -0.00000 -0.00009 46 6D+1 -0.00000 0.00011 -0.00000 -0.00014 -0.00000 47 6D-1 0.00012 -0.00000 -0.00028 0.00000 0.00034 48 6D+2 0.00027 -0.00000 0.00028 -0.00000 0.00006 49 6D-2 -0.00000 -0.00001 0.00000 -0.00031 -0.00000 50 7D 0 0.00020 -0.00000 0.00054 0.00000 -0.00028 51 7D+1 -0.00000 0.00014 -0.00000 -0.00001 0.00000 52 7D-1 -0.00004 0.00000 -0.00024 0.00000 0.00021 53 7D+2 0.00023 -0.00000 0.00041 -0.00000 -0.00036 54 7D-2 0.00000 -0.00004 0.00000 -0.00099 -0.00000 55 3 C 1S 0.00030 0.00000 0.00435 -0.00000 -0.00087 56 2S 0.00038 0.00000 0.00463 -0.00000 -0.00135 57 2PX 0.00000 0.00181 -0.00000 -0.00663 -0.00000 58 2PY 0.00102 0.00000 0.00346 -0.00000 -0.00201 59 2PZ 0.00034 -0.00000 0.00272 0.00000 -0.00075 60 3S -0.00068 -0.00000 -0.00596 0.00000 0.00377 61 3PX 0.00000 0.00280 -0.00000 -0.01009 -0.00000 62 3PY 0.00141 0.00000 0.00501 -0.00000 -0.00275 63 3PZ 0.00044 -0.00000 0.00383 0.00000 -0.00120 64 4S -0.00028 0.00000 -0.00153 0.00000 -0.00116 65 4PX 0.00000 0.00212 -0.00000 -0.00895 -0.00000 66 4PY 0.00068 0.00000 0.00189 -0.00000 -0.00042 67 4PZ 0.00053 -0.00000 0.00229 0.00000 -0.00120 68 5S -0.00390 0.00000 -0.01076 0.00000 0.00707 69 5PX 0.00000 0.00036 0.00000 -0.00244 -0.00000 70 5PY 0.00039 0.00000 -0.00149 0.00000 0.00123 71 5PZ -0.00069 -0.00000 -0.00400 0.00000 0.00322 72 6D 0 0.00012 -0.00000 0.00028 -0.00000 -0.00002 73 6D+1 -0.00000 -0.00006 -0.00000 0.00015 0.00000 74 6D-1 -0.00002 -0.00000 -0.00021 0.00000 0.00023 75 6D+2 0.00010 -0.00000 0.00029 -0.00000 -0.00007 76 6D-2 -0.00000 -0.00013 0.00000 0.00026 0.00000 77 7D 0 0.00029 -0.00000 0.00062 -0.00000 -0.00038 78 7D+1 -0.00000 -0.00026 -0.00000 0.00066 0.00000 79 7D-1 0.00007 -0.00000 0.00038 -0.00000 -0.00040 80 7D+2 0.00019 0.00000 0.00011 -0.00000 0.00004 81 7D-2 -0.00000 -0.00029 -0.00000 0.00047 0.00000 82 4 C 1S -0.00005 -0.00000 -0.00059 0.00000 0.00091 83 2S -0.00010 -0.00000 -0.00093 0.00000 0.00159 84 2PX 0.00000 -0.00008 0.00000 0.00042 0.00000 85 2PY 0.00004 -0.00000 0.00043 -0.00000 0.00095 86 2PZ -0.00036 0.00000 -0.00157 0.00000 -0.00132 87 3S 0.00032 0.00000 0.00272 -0.00000 -0.00516 88 3PX 0.00000 -0.00009 0.00000 0.00068 0.00000 89 3PY 0.00003 -0.00000 0.00059 -0.00000 0.00142 90 3PZ -0.00047 0.00000 -0.00213 -0.00000 -0.00185 91 4S -0.00015 -0.00000 0.00128 -0.00000 -0.00113 92 4PX 0.00000 -0.00038 -0.00000 0.00056 0.00000 93 4PY 0.00011 -0.00000 0.00001 0.00000 0.00102 94 4PZ -0.00036 0.00000 -0.00035 -0.00000 -0.00222 95 5S 0.00456 -0.00000 0.00603 -0.00000 0.00111 96 5PX 0.00000 -0.00036 0.00000 0.00117 -0.00000 97 5PY -0.00045 0.00000 0.00253 -0.00000 -0.00285 98 5PZ -0.00063 -0.00000 -0.00581 0.00000 0.00439 99 6D 0 0.00002 0.00000 -0.00008 0.00000 0.00002 100 6D+1 -0.00000 -0.00010 0.00000 0.00047 0.00000 101 6D-1 -0.00005 -0.00000 -0.00002 0.00000 0.00011 102 6D+2 0.00001 0.00000 -0.00006 -0.00000 0.00004 103 6D-2 0.00000 0.00002 0.00000 -0.00029 -0.00000 104 7D 0 0.00006 0.00000 -0.00080 0.00000 0.00072 105 7D+1 -0.00000 -0.00033 0.00000 0.00150 0.00000 106 7D-1 -0.00013 -0.00000 0.00037 0.00000 -0.00062 107 7D+2 0.00007 0.00000 -0.00029 -0.00000 0.00008 108 7D-2 0.00000 0.00011 0.00000 -0.00104 -0.00000 109 5 C 1S 0.00007 0.00000 0.00092 -0.00000 -0.00732 110 2S 0.00005 0.00000 0.00151 -0.00000 -0.00888 111 2PX -0.00000 -0.00086 0.00000 0.00765 0.00000 112 2PY 0.00012 0.00000 -0.00136 0.00000 -0.00577 113 2PZ 0.00007 0.00000 -0.00406 -0.00000 0.00224 114 3S 0.00001 -0.00000 -0.00413 0.00000 0.01560 115 3PX -0.00000 -0.00127 0.00000 0.01166 0.00000 116 3PY 0.00016 0.00000 -0.00192 0.00000 -0.00803 117 3PZ 0.00004 0.00000 -0.00612 -0.00000 0.00339 118 4S 0.00062 -0.00000 -0.00459 0.00000 0.01323 119 4PX -0.00000 -0.00133 0.00000 0.00979 0.00000 120 4PY 0.00012 0.00000 -0.00126 0.00000 -0.00561 121 4PZ -0.00012 0.00000 -0.00438 -0.00000 0.00507 122 5S -0.00079 -0.00000 0.01398 -0.00000 -0.01283 123 5PX -0.00000 -0.00035 -0.00000 -0.00053 -0.00000 124 5PY -0.00062 0.00000 0.00087 -0.00000 -0.00359 125 5PZ 0.00088 0.00000 0.00135 0.00000 0.00039 126 6D 0 0.00003 -0.00000 0.00005 0.00000 0.00011 127 6D+1 0.00000 -0.00000 0.00000 -0.00030 0.00000 128 6D-1 0.00002 -0.00000 0.00016 0.00000 0.00060 129 6D+2 0.00002 0.00000 -0.00006 0.00000 -0.00011 130 6D-2 0.00000 -0.00001 -0.00000 -0.00028 -0.00000 131 7D 0 0.00016 -0.00000 -0.00039 0.00000 0.00136 132 7D+1 -0.00000 -0.00010 0.00000 -0.00000 -0.00000 133 7D-1 0.00006 -0.00000 0.00010 0.00000 0.00031 134 7D+2 0.00007 -0.00000 -0.00031 0.00000 0.00070 135 7D-2 0.00000 -0.00004 0.00000 -0.00096 -0.00000 136 6 C 1S -0.00040 0.00000 -0.00746 0.00000 0.00076 137 2S -0.00063 0.00000 -0.00795 0.00000 0.00073 138 2PX -0.00000 0.00022 -0.00000 0.00845 0.00000 139 2PY -0.00004 -0.00000 0.00039 0.00000 0.00897 140 2PZ -0.00113 0.00000 -0.00131 -0.00000 0.00033 141 3S 0.00188 -0.00000 0.01023 -0.00000 -0.00034 142 3PX -0.00000 0.00037 -0.00000 0.01290 0.00000 143 3PY -0.00004 -0.00000 0.00079 0.00000 0.01227 144 3PZ -0.00162 0.00000 -0.00182 -0.00000 0.00076 145 4S 0.00068 -0.00000 0.00383 -0.00000 -0.00087 146 4PX -0.00000 0.00002 -0.00000 0.01120 0.00000 147 4PY -0.00025 -0.00000 0.00011 0.00000 0.00573 148 4PZ -0.00100 0.00000 0.00007 -0.00000 -0.00158 149 5S 0.00182 0.00000 0.00403 -0.00000 -0.01074 150 5PX -0.00000 -0.00027 0.00000 0.00352 0.00000 151 5PY -0.00036 0.00000 -0.00177 0.00000 0.00117 152 5PZ -0.00101 0.00000 -0.00261 0.00000 0.00308 153 6D 0 0.00005 -0.00000 0.00007 -0.00000 0.00018 154 6D+1 -0.00000 -0.00012 0.00000 0.00009 0.00000 155 6D-1 0.00003 -0.00000 0.00000 0.00000 0.00085 156 6D+2 0.00001 0.00000 -0.00017 -0.00000 0.00006 157 6D-2 -0.00000 -0.00002 -0.00000 0.00030 -0.00000 158 7D 0 -0.00003 0.00000 -0.00061 0.00000 0.00090 159 7D+1 -0.00000 -0.00037 0.00000 0.00061 0.00000 160 7D-1 0.00017 -0.00000 -0.00057 0.00000 0.00160 161 7D+2 0.00016 0.00000 -0.00016 -0.00000 0.00036 162 7D-2 -0.00000 -0.00012 0.00000 0.00061 -0.00000 163 7 H 1S -0.00017 0.00000 0.00149 -0.00000 -0.00746 164 2S -0.00017 0.00000 0.00173 -0.00000 -0.01088 165 3S -0.00079 0.00000 0.00016 -0.00000 -0.00634 166 4PX -0.00000 0.00000 0.00000 0.00077 -0.00000 167 4PY 0.00003 0.00000 0.00027 0.00000 -0.00060 168 4PZ -0.00008 -0.00000 -0.00021 -0.00000 0.00054 169 8 Mg 1S 0.00002 0.00000 0.00037 -0.00000 -0.00055 170 2S 0.00007 0.00000 0.00103 -0.00000 -0.00146 171 3S -0.00017 -0.00000 -0.00199 0.00000 0.00282 172 4S -0.00022 -0.00000 -0.00071 0.00000 0.00150 173 5S 0.00051 0.00000 -0.00796 0.00000 0.00775 174 6S 0.00013 0.00000 -0.00355 0.00000 0.00052 175 7S -0.00001 0.00000 0.00020 -0.00000 -0.00023 176 7PX 0.00000 0.00002 0.00000 -0.00012 -0.00000 177 7PY -0.00000 0.00000 -0.00000 -0.00000 0.00002 178 7PZ 0.00001 -0.00000 -0.00035 0.00000 0.00042 179 8PX 0.00000 0.00011 0.00000 -0.00065 -0.00000 180 8PY 0.00001 0.00000 -0.00032 0.00000 0.00009 181 8PZ 0.00006 0.00000 -0.00149 0.00000 0.00132 182 9PX 0.00000 0.00016 0.00000 -0.00091 -0.00000 183 9PY 0.00001 0.00000 -0.00043 0.00000 0.00013 184 9PZ 0.00008 0.00000 -0.00203 0.00000 0.00180 185 10PX -0.00000 -0.00020 -0.00000 0.00121 0.00000 186 10PY 0.00003 -0.00000 -0.00034 0.00000 -0.00024 187 10PZ -0.00008 -0.00000 0.00154 -0.00000 -0.00263 188 11PX -0.00000 -0.00035 -0.00000 0.00193 0.00000 189 11PY 0.00005 -0.00000 -0.00018 0.00000 0.00041 190 11PZ -0.00021 0.00000 0.00118 -0.00000 -0.00042 191 12PX -0.00000 0.00006 -0.00000 0.00072 0.00000 192 12PY 0.00007 -0.00000 0.00015 0.00000 0.00038 193 12PZ 0.00048 -0.00000 0.00350 -0.00000 -0.00438 194 13D 0 -0.00001 0.00000 -0.00081 0.00000 0.00068 195 13D+1 0.00000 0.00013 0.00000 -0.00089 -0.00000 196 13D-1 -0.00002 0.00000 -0.00008 -0.00000 0.00030 197 13D+2 0.00001 -0.00000 0.00002 0.00000 0.00004 198 13D-2 0.00000 -0.00000 0.00000 -0.00005 -0.00000 199 14D 0 0.00004 0.00000 -0.00119 0.00000 0.00071 200 14D+1 0.00000 0.00016 0.00000 -0.00137 -0.00000 201 14D-1 -0.00003 0.00000 -0.00033 -0.00000 -0.00018 202 14D+2 0.00002 -0.00000 -0.00007 0.00000 0.00021 203 14D-2 0.00000 -0.00001 0.00000 -0.00017 -0.00000 204 9 Br 1S 0.00000 0.00000 0.00004 0.00000 0.00003 205 2S 0.00001 0.00000 0.00012 0.00000 0.00010 206 3S -0.00002 -0.00000 -0.00037 -0.00000 -0.00024 207 4S -0.00002 -0.00000 -0.00043 -0.00000 -0.00031 208 5S 0.00004 0.00000 0.00081 0.00000 0.00062 209 6S 0.00005 0.00000 0.00085 0.00000 0.00088 210 7S -0.00010 -0.00000 -0.00020 -0.00000 -0.00270 211 8S -0.00007 -0.00000 0.00132 -0.00000 -0.00290 212 9S -0.00046 -0.00000 -0.00185 0.00000 0.00344 213 9PX -0.00000 -0.00003 -0.00000 -0.00020 0.00000 214 9PY -0.00002 0.00000 -0.00018 -0.00000 -0.00003 215 9PZ 0.00015 0.00000 0.00066 -0.00000 -0.00118 216 10PX 0.00000 0.00000 -0.00000 -0.00003 -0.00000 217 10PY -0.00000 0.00000 -0.00008 0.00000 0.00003 218 10PZ 0.00000 0.00000 0.00001 0.00000 0.00008 219 11PX 0.00000 0.00003 -0.00000 -0.00021 -0.00000 220 11PY -0.00000 0.00000 -0.00062 0.00000 0.00025 221 11PZ 0.00003 0.00000 0.00011 0.00000 0.00063 222 12PX -0.00000 -0.00008 0.00000 0.00054 0.00000 223 12PY 0.00001 -0.00000 0.00165 -0.00000 -0.00058 224 12PZ -0.00008 -0.00000 -0.00047 -0.00000 -0.00115 225 13PX 0.00000 -0.00003 0.00000 0.00020 0.00000 226 13PY 0.00000 -0.00000 0.00060 -0.00000 -0.00022 227 13PZ -0.00003 -0.00000 -0.00022 -0.00000 -0.00037 228 14PX -0.00000 0.00007 -0.00000 -0.00044 -0.00000 229 14PY -0.00000 0.00000 -0.00132 0.00000 0.00049 230 14PZ 0.00007 0.00000 0.00043 0.00000 0.00090 231 15PX 0.00000 0.00015 -0.00000 -0.00110 -0.00000 232 15PY -0.00001 0.00000 -0.00309 0.00000 0.00111 233 15PZ 0.00015 0.00000 0.00065 0.00000 0.00261 234 16PX -0.00000 0.00008 -0.00000 -0.00035 -0.00000 235 16PY -0.00000 0.00000 -0.00198 0.00000 0.00080 236 16PZ 0.00013 0.00000 -0.00035 0.00000 0.00240 237 17D 0 -0.00004 -0.00000 -0.00055 0.00000 0.00052 238 17D+1 0.00000 0.00003 -0.00000 0.00001 -0.00000 239 17D-1 0.00002 -0.00000 -0.00250 0.00000 0.00015 240 17D+2 -0.00001 -0.00000 -0.00072 0.00000 0.00029 241 17D-2 0.00000 0.00000 0.00000 0.00003 -0.00000 242 18D 0 -0.00001 -0.00000 -0.00016 0.00000 0.00017 243 18D+1 0.00000 0.00001 -0.00000 -0.00002 -0.00000 244 18D-1 0.00001 -0.00000 -0.00087 0.00000 0.00005 245 18D+2 -0.00000 -0.00000 -0.00025 0.00000 0.00010 246 18D-2 0.00000 0.00000 0.00000 0.00001 -0.00000 247 19D 0 0.00000 -0.00000 -0.00014 0.00000 0.00005 248 19D+1 -0.00000 -0.00000 0.00000 0.00004 -0.00000 249 19D-1 0.00000 -0.00000 -0.00010 0.00000 -0.00001 250 19D+2 0.00000 -0.00000 -0.00004 -0.00000 0.00002 251 19D-2 0.00000 -0.00000 0.00000 -0.00001 -0.00000 252 20D 0 0.00001 -0.00000 -0.00000 -0.00000 -0.00026 253 20D+1 0.00000 0.00002 0.00000 -0.00016 -0.00000 254 20D-1 -0.00000 0.00000 0.00010 -0.00000 -0.00007 255 20D+2 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 256 20D-2 -0.00000 0.00000 -0.00000 0.00001 0.00000 257 10 H 1S -0.00017 -0.00000 0.00029 -0.00000 -0.00054 258 2S -0.00023 -0.00000 0.00001 -0.00000 -0.00008 259 3S -0.00045 -0.00000 0.00003 0.00000 0.00056 260 4PX 0.00000 -0.00002 0.00000 0.00005 0.00000 261 4PY 0.00000 -0.00000 0.00002 0.00000 0.00016 262 4PZ -0.00003 0.00000 -0.00011 0.00000 -0.00002 263 11 H 1S 0.00021 0.00000 -0.00005 -0.00000 -0.00072 264 2S 0.00030 0.00000 0.00009 -0.00000 -0.00171 265 3S -0.00013 0.00000 0.00059 -0.00000 -0.00184 266 4PX 0.00000 0.00015 0.00000 -0.00061 -0.00000 267 4PY -0.00002 0.00000 0.00018 -0.00000 0.00001 268 4PZ 0.00005 -0.00000 0.00008 0.00000 -0.00006 269 12 H 1S 0.00173 -0.00000 0.00547 -0.00000 -0.00240 270 2S 0.00284 -0.00000 0.00798 -0.00000 -0.00313 271 3S 0.00179 -0.00000 0.00347 -0.00000 -0.00040 272 4PX 0.00000 0.00025 -0.00000 -0.00056 -0.00000 273 4PY 0.00008 -0.00000 -0.00013 -0.00000 0.00022 274 4PZ 0.00013 -0.00000 0.00062 -0.00000 -0.00042 275 13 H 1S -0.00262 -0.00000 -0.00089 0.00000 0.00096 276 2S -0.00376 -0.00000 -0.00136 0.00000 0.00150 277 3S -0.00070 -0.00000 -0.00103 0.00000 0.00213 278 4PX -0.00000 0.00018 -0.00000 0.00011 -0.00000 279 4PY -0.00047 -0.00000 -0.00007 -0.00000 -0.00013 280 4PZ -0.00010 -0.00000 0.00003 -0.00000 0.00011 26 27 28 29 30 26 7D+2 0.00033 27 7D-2 0.00000 0.00072 28 2 C 1S 0.00357 -0.00000 0.65854 29 2S 0.00412 -0.00000 0.56022 0.48960 30 2PX 0.00000 0.00651 0.00000 0.00000 0.06693 31 2PY -0.00206 0.00000 -0.00000 -0.00000 0.00000 32 2PZ -0.00277 -0.00000 -0.00075 -0.00128 -0.00000 33 3S -0.00676 0.00000 -0.07869 -0.14139 -0.00000 34 3PX 0.00000 0.01001 0.00000 0.00000 0.10291 35 3PY -0.00292 0.00000 -0.00000 -0.00000 0.00000 36 3PZ -0.00388 -0.00000 -0.00092 -0.00316 -0.00000 37 4S -0.00270 0.00000 -0.05610 -0.08172 0.00000 38 4PX 0.00000 0.00805 0.00000 -0.00000 0.08207 39 4PY -0.00134 0.00000 -0.00000 0.00000 0.00000 40 4PZ -0.00149 -0.00000 -0.00208 0.00144 -0.00000 41 5S -0.00140 0.00000 -0.01889 -0.02955 0.00000 42 5PX 0.00000 0.00113 -0.00000 -0.00000 0.01136 43 5PY 0.00039 0.00000 0.00000 0.00000 0.00000 44 5PZ 0.00004 -0.00000 0.00628 0.00759 -0.00000 45 6D 0 0.00007 -0.00000 -0.00023 -0.00079 0.00000 46 6D+1 -0.00000 0.00023 -0.00000 -0.00000 0.00247 47 6D-1 -0.00022 -0.00000 0.00000 0.00000 0.00000 48 6D+2 0.00022 -0.00000 0.00120 0.00264 0.00000 49 6D-2 0.00000 0.00013 0.00000 0.00000 0.00000 50 7D 0 0.00006 -0.00000 0.00012 0.00095 -0.00000 51 7D+1 -0.00000 0.00025 0.00000 -0.00000 0.00282 52 7D-1 -0.00017 -0.00000 0.00000 0.00000 0.00000 53 7D+2 0.00001 -0.00000 -0.00010 0.00032 -0.00000 54 7D-2 0.00000 0.00041 -0.00000 -0.00000 0.00000 55 3 C 1S 0.00145 -0.00000 0.00536 0.00836 -0.00000 56 2S 0.00195 -0.00000 0.00836 0.01283 -0.00000 57 2PX 0.00000 0.00575 0.00000 0.00000 0.04349 58 2PY 0.00381 0.00000 0.01684 0.02710 0.00000 59 2PZ 0.00119 -0.00000 0.00980 0.01577 -0.00000 60 3S -0.00430 0.00000 -0.02002 -0.03099 0.00000 61 3PX 0.00000 0.00883 -0.00000 -0.00000 0.06708 62 3PY 0.00536 0.00000 0.02679 0.04043 0.00000 63 3PZ 0.00166 -0.00000 0.01617 0.02401 -0.00000 64 4S -0.00199 0.00000 -0.00652 -0.01229 -0.00000 65 4PX 0.00000 0.00710 -0.00000 -0.00000 0.05201 66 4PY 0.00250 0.00000 0.00900 0.01601 0.00000 67 4PZ 0.00083 -0.00000 0.01137 0.01367 -0.00000 68 5S -0.00034 0.00000 0.00425 0.00645 -0.00000 69 5PX 0.00000 0.00142 0.00000 0.00000 0.00978 70 5PY -0.00031 0.00000 -0.00758 -0.00962 0.00000 71 5PZ -0.00021 -0.00000 -0.00665 -0.00928 -0.00000 72 6D 0 0.00008 0.00000 0.00062 0.00093 0.00000 73 6D+1 -0.00000 -0.00008 -0.00000 -0.00000 -0.00146 74 6D-1 -0.00023 0.00000 -0.00182 -0.00282 0.00000 75 6D+2 0.00019 -0.00000 0.00126 0.00190 0.00000 76 6D-2 -0.00000 -0.00029 0.00000 0.00000 -0.00292 77 7D 0 0.00011 0.00000 0.00105 0.00096 0.00000 78 7D+1 -0.00000 -0.00047 -0.00000 -0.00000 -0.00617 79 7D-1 -0.00004 0.00000 -0.00632 -0.00622 0.00000 80 7D+2 0.00013 0.00000 0.00357 0.00412 0.00000 81 7D-2 -0.00000 -0.00056 0.00000 0.00000 -0.00651 82 4 C 1S 0.00028 -0.00000 -0.00112 -0.00173 -0.00000 83 2S 0.00028 -0.00000 -0.00173 -0.00279 -0.00000 84 2PX 0.00000 0.00096 0.00000 0.00000 -0.00295 85 2PY 0.00111 -0.00000 -0.00151 -0.00241 -0.00000 86 2PZ -0.00038 0.00000 -0.00399 -0.00634 -0.00000 87 3S -0.00023 0.00000 0.00448 0.00807 0.00000 88 3PX 0.00000 0.00150 0.00000 0.00000 -0.00387 89 3PY 0.00153 -0.00000 -0.00139 -0.00293 -0.00000 90 3PZ -0.00051 0.00000 -0.00394 -0.00764 -0.00000 91 4S 0.00007 0.00000 0.00087 0.00275 0.00000 92 4PX 0.00000 0.00076 -0.00000 0.00000 -0.00959 93 4PY 0.00068 -0.00000 -0.00045 -0.00200 -0.00000 94 4PZ -0.00036 0.00000 0.00069 -0.00177 0.00000 95 5S -0.00020 -0.00000 -0.03286 -0.03346 0.00000 96 5PX -0.00000 -0.00053 0.00000 0.00000 -0.00897 97 5PY 0.00059 0.00000 0.01396 0.01600 -0.00000 98 5PZ -0.00036 0.00000 -0.00534 -0.00716 -0.00000 99 6D 0 -0.00002 0.00000 0.00002 0.00017 0.00000 100 6D+1 -0.00000 -0.00034 -0.00000 -0.00000 -0.00262 101 6D-1 -0.00007 -0.00000 -0.00057 -0.00098 -0.00000 102 6D+2 0.00001 0.00000 0.00011 0.00010 0.00000 103 6D-2 0.00000 0.00010 0.00000 0.00000 0.00078 104 7D 0 -0.00000 0.00000 -0.00078 -0.00065 0.00000 105 7D+1 -0.00000 -0.00102 -0.00000 -0.00000 -0.00833 106 7D-1 -0.00039 -0.00000 -0.00403 -0.00478 -0.00000 107 7D+2 0.00005 0.00000 -0.00153 -0.00110 0.00000 108 7D-2 0.00000 0.00045 0.00000 0.00000 0.00319 109 5 C 1S -0.00073 0.00000 -0.00097 -0.00133 -0.00000 110 2S -0.00035 0.00000 -0.00132 -0.00206 -0.00000 111 2PX -0.00000 -0.00300 0.00000 0.00000 -0.02559 112 2PY -0.00024 0.00000 -0.00000 -0.00000 -0.00000 113 2PZ 0.00017 0.00000 -0.00230 -0.00362 0.00000 114 3S -0.00144 -0.00000 0.00187 0.00440 0.00000 115 3PX -0.00000 -0.00451 0.00000 0.00000 -0.03825 116 3PY -0.00040 0.00000 -0.00000 -0.00000 -0.00000 117 3PZ 0.00021 0.00000 -0.00191 -0.00423 0.00000 118 4S -0.00041 -0.00000 -0.00320 -0.00141 0.00000 119 4PX -0.00000 -0.00427 0.00000 0.00000 -0.03754 120 4PY -0.00048 0.00000 -0.00000 -0.00000 -0.00000 121 4PZ -0.00037 0.00000 -0.00476 -0.00600 0.00000 122 5S 0.00254 0.00000 0.07188 0.08096 -0.00000 123 5PX 0.00000 -0.00055 0.00000 0.00000 -0.00669 124 5PY -0.00051 0.00000 -0.00000 -0.00000 -0.00000 125 5PZ -0.00039 -0.00000 -0.01532 -0.01518 0.00000 126 6D 0 0.00004 -0.00000 0.00022 0.00030 0.00000 127 6D+1 0.00000 0.00006 -0.00000 -0.00000 0.00030 128 6D-1 0.00007 -0.00000 0.00000 0.00000 0.00000 129 6D+2 0.00008 0.00000 0.00010 0.00008 -0.00000 130 6D-2 0.00000 0.00012 -0.00000 -0.00000 0.00000 131 7D 0 0.00012 -0.00000 0.00073 0.00128 0.00000 132 7D+1 -0.00000 -0.00018 -0.00000 -0.00000 -0.00203 133 7D-1 0.00010 -0.00000 0.00000 0.00000 -0.00000 134 7D+2 0.00015 -0.00000 0.00096 0.00122 0.00000 135 7D-2 0.00000 0.00039 -0.00000 -0.00000 -0.00000 136 6 C 1S -0.00138 0.00000 -0.00112 -0.00173 -0.00000 137 2S -0.00095 0.00000 -0.00173 -0.00279 -0.00000 138 2PX -0.00000 -0.00233 0.00000 0.00000 -0.00295 139 2PY 0.00109 -0.00000 0.00151 0.00241 0.00000 140 2PZ -0.00183 0.00000 -0.00399 -0.00634 -0.00000 141 3S -0.00102 -0.00000 0.00448 0.00807 0.00000 142 3PX -0.00000 -0.00350 0.00000 0.00000 -0.00387 143 3PY 0.00150 -0.00000 0.00139 0.00293 0.00000 144 3PZ -0.00248 0.00000 -0.00394 -0.00764 -0.00000 145 4S -0.00075 -0.00000 0.00087 0.00275 0.00000 146 4PX -0.00000 -0.00359 -0.00000 0.00000 -0.00959 147 4PY 0.00083 -0.00000 0.00045 0.00200 -0.00000 148 4PZ -0.00167 0.00000 0.00069 -0.00177 -0.00000 149 5S -0.00042 0.00000 -0.03286 -0.03346 0.00000 150 5PX -0.00000 -0.00150 -0.00000 -0.00000 -0.00897 151 5PY -0.00029 -0.00000 -0.01396 -0.01600 -0.00000 152 5PZ -0.00062 0.00000 -0.00534 -0.00716 -0.00000 153 6D 0 0.00012 -0.00000 0.00002 0.00017 0.00000 154 6D+1 -0.00000 -0.00018 0.00000 0.00000 -0.00262 155 6D-1 0.00011 -0.00000 0.00057 0.00098 0.00000 156 6D+2 0.00010 0.00000 0.00011 0.00010 0.00000 157 6D-2 -0.00000 -0.00010 -0.00000 -0.00000 -0.00078 158 7D 0 0.00009 0.00000 -0.00078 -0.00065 0.00000 159 7D+1 -0.00000 -0.00065 0.00000 0.00000 -0.00833 160 7D-1 0.00016 -0.00000 0.00403 0.00478 0.00000 161 7D+2 0.00012 0.00000 -0.00153 -0.00110 0.00000 162 7D-2 -0.00000 -0.00027 -0.00000 -0.00000 -0.00319 163 7 H 1S -0.00193 0.00000 -0.00258 -0.00418 -0.00000 164 2S -0.00277 0.00000 -0.00492 -0.00674 -0.00000 165 3S -0.00133 0.00000 -0.00422 -0.00642 -0.00000 166 4PX -0.00000 -0.00024 -0.00000 -0.00000 -0.00064 167 4PY -0.00021 0.00000 -0.00010 -0.00012 -0.00000 168 4PZ 0.00005 -0.00000 0.00041 0.00020 -0.00000 169 8 Mg 1S 0.00009 0.00000 -0.00004 -0.00006 -0.00000 170 2S 0.00022 0.00000 -0.00010 -0.00016 -0.00000 171 3S -0.00045 -0.00000 0.00029 0.00044 0.00000 172 4S -0.00052 -0.00000 0.00021 0.00042 0.00000 173 5S 0.00082 -0.00000 0.00046 -0.00024 0.00000 174 6S 0.00101 0.00000 0.00980 0.00955 0.00000 175 7S -0.00004 0.00000 -0.00039 -0.00052 -0.00000 176 7PX 0.00000 0.00006 -0.00000 -0.00000 0.00058 177 7PY -0.00001 0.00000 0.00000 0.00000 0.00000 178 7PZ 0.00004 -0.00000 0.00021 0.00028 -0.00000 179 8PX 0.00000 0.00030 0.00000 0.00000 0.00298 180 8PY -0.00030 0.00000 -0.00000 -0.00000 0.00000 181 8PZ -0.00016 -0.00000 -0.00020 -0.00033 -0.00000 182 9PX 0.00000 0.00042 0.00000 0.00000 0.00412 183 9PY -0.00041 0.00000 -0.00000 -0.00000 0.00000 184 9PZ -0.00022 -0.00000 -0.00027 -0.00045 -0.00000 185 10PX -0.00000 -0.00063 -0.00000 -0.00000 -0.00544 186 10PY -0.00006 0.00000 0.00000 0.00000 -0.00000 187 10PZ 0.00021 0.00000 0.00010 0.00045 0.00000 188 11PX -0.00000 -0.00105 0.00000 0.00000 -0.00939 189 11PY 0.00008 -0.00000 -0.00000 -0.00000 -0.00000 190 11PZ -0.00033 0.00000 -0.00227 -0.00241 0.00000 191 12PX -0.00000 -0.00004 -0.00000 -0.00000 0.00040 192 12PY 0.00006 -0.00000 0.00000 0.00000 0.00000 193 12PZ 0.00039 0.00000 0.00207 0.00297 0.00000 194 13D 0 0.00007 -0.00000 0.00010 0.00000 -0.00000 195 13D+1 0.00000 0.00038 -0.00000 -0.00000 0.00361 196 13D-1 -0.00003 0.00000 0.00000 0.00000 0.00000 197 13D+2 0.00002 -0.00000 0.00011 0.00015 -0.00000 198 13D-2 0.00000 0.00002 -0.00000 0.00000 0.00000 199 14D 0 0.00024 -0.00000 0.00129 0.00126 -0.00000 200 14D+1 0.00000 0.00051 -0.00000 -0.00000 0.00461 201 14D-1 -0.00011 0.00000 0.00000 0.00000 0.00000 202 14D+2 0.00002 -0.00000 0.00006 0.00010 -0.00000 203 14D-2 0.00000 0.00007 -0.00000 -0.00000 0.00000 204 9 Br 1S -0.00001 -0.00000 -0.00000 -0.00000 0.00000 205 2S -0.00004 -0.00000 -0.00000 -0.00000 0.00000 206 3S 0.00010 0.00000 0.00000 0.00001 -0.00000 207 4S 0.00012 0.00000 0.00000 0.00000 -0.00000 208 5S -0.00024 -0.00000 0.00000 -0.00001 0.00000 209 6S -0.00037 -0.00000 -0.00002 -0.00002 0.00000 210 7S 0.00108 0.00000 0.00006 0.00000 -0.00000 211 8S 0.00044 0.00000 -0.00038 -0.00022 -0.00000 212 9S -0.00063 -0.00000 -0.00453 -0.00526 -0.00000 213 9PX -0.00000 -0.00005 -0.00000 -0.00000 -0.00056 214 9PY -0.00003 0.00000 0.00000 0.00000 -0.00000 215 9PZ 0.00019 0.00000 0.00161 0.00183 0.00000 216 10PX 0.00000 -0.00000 0.00000 0.00000 0.00007 217 10PY -0.00001 0.00000 -0.00000 -0.00000 0.00000 218 10PZ -0.00004 -0.00000 -0.00001 -0.00001 -0.00000 219 11PX 0.00000 -0.00003 0.00000 0.00000 0.00054 220 11PY -0.00010 0.00000 -0.00000 -0.00000 0.00000 221 11PZ -0.00028 -0.00000 -0.00007 -0.00012 -0.00000 222 12PX -0.00000 0.00006 -0.00000 -0.00000 -0.00142 223 12PY 0.00025 -0.00000 0.00000 0.00000 -0.00000 224 12PZ 0.00046 0.00000 0.00019 0.00032 0.00000 225 13PX -0.00000 0.00002 -0.00000 -0.00000 -0.00054 226 13PY 0.00009 -0.00000 0.00000 0.00000 -0.00000 227 13PZ 0.00017 0.00000 0.00008 0.00011 0.00000 228 14PX 0.00000 -0.00005 0.00000 0.00000 0.00123 229 14PY -0.00021 0.00000 -0.00000 -0.00000 0.00000 230 14PZ -0.00040 -0.00000 -0.00016 -0.00024 -0.00000 231 15PX 0.00000 -0.00010 0.00000 0.00000 0.00281 232 15PY -0.00048 0.00000 -0.00000 -0.00000 0.00000 233 15PZ -0.00096 -0.00000 -0.00037 -0.00063 -0.00000 234 16PX 0.00000 -0.00016 0.00000 0.00000 0.00123 235 16PY -0.00030 0.00000 -0.00000 -0.00000 0.00000 236 16PZ -0.00051 -0.00000 -0.00009 -0.00031 -0.00000 237 17D 0 0.00000 -0.00000 -0.00001 -0.00003 0.00000 238 17D+1 -0.00000 -0.00010 0.00000 0.00000 -0.00012 239 17D-1 -0.00008 0.00000 -0.00000 -0.00000 0.00000 240 17D+2 -0.00004 0.00000 0.00000 0.00001 0.00000 241 17D-2 0.00000 -0.00002 0.00000 0.00000 -0.00000 242 18D 0 -0.00001 -0.00000 0.00001 0.00001 -0.00000 243 18D+1 0.00000 -0.00002 0.00000 0.00000 0.00004 244 18D-1 -0.00003 0.00000 0.00000 0.00000 0.00000 245 18D+2 -0.00001 0.00000 -0.00001 -0.00001 -0.00000 246 18D-2 0.00000 -0.00001 -0.00000 -0.00000 0.00000 247 19D 0 0.00004 0.00000 -0.00002 -0.00002 0.00000 248 19D+1 -0.00000 -0.00001 -0.00000 -0.00000 -0.00007 249 19D-1 0.00000 0.00000 -0.00000 -0.00000 -0.00000 250 19D+2 -0.00000 0.00000 0.00001 0.00001 0.00000 251 19D-2 -0.00000 0.00000 0.00000 0.00000 -0.00000 252 20D 0 0.00009 0.00000 0.00007 0.00010 -0.00000 253 20D+1 0.00000 0.00009 -0.00000 -0.00000 0.00061 254 20D-1 0.00002 0.00000 0.00000 0.00000 0.00000 255 20D+2 -0.00000 -0.00000 -0.00002 -0.00002 -0.00000 256 20D-2 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 257 10 H 1S 0.00035 0.00000 -0.00258 -0.00418 0.00000 258 2S 0.00056 0.00000 -0.00492 -0.00674 0.00000 259 3S -0.00033 -0.00000 -0.00422 -0.00642 -0.00000 260 4PX -0.00000 0.00005 -0.00000 -0.00000 -0.00064 261 4PY -0.00005 -0.00000 0.00010 0.00012 -0.00000 262 4PZ -0.00009 0.00000 0.00041 0.00020 -0.00000 263 11 H 1S 0.00125 0.00000 0.00388 0.00665 -0.00000 264 2S 0.00195 0.00000 0.00691 0.01187 -0.00000 265 3S 0.00092 0.00000 0.00640 0.00795 -0.00000 266 4PX 0.00000 0.00049 -0.00000 -0.00000 0.00363 267 4PY -0.00002 0.00000 0.00073 0.00056 0.00000 268 4PZ 0.00016 -0.00000 0.00120 0.00158 -0.00000 269 12 H 1S 0.00095 -0.00000 -0.02030 -0.03180 0.00000 270 2S 0.00163 -0.00000 -0.03204 -0.04687 0.00000 271 3S 0.00149 -0.00000 0.00193 0.00279 0.00000 272 4PX 0.00000 0.00056 0.00000 0.00000 0.00570 273 4PY -0.00008 0.00000 -0.00000 -0.00000 0.00000 274 4PZ -0.00001 -0.00000 -0.00639 -0.00857 0.00000 275 13 H 1S 0.00063 -0.00000 0.00388 0.00665 0.00000 276 2S 0.00097 -0.00000 0.00691 0.01187 0.00000 277 3S -0.00026 -0.00000 0.00640 0.00795 0.00000 278 4PX -0.00000 0.00020 -0.00000 -0.00000 0.00363 279 4PY 0.00011 0.00000 -0.00073 -0.00056 0.00000 280 4PZ 0.00013 -0.00000 0.00120 0.00158 -0.00000 31 32 33 34 35 31 2PY 0.09301 32 2PZ 0.00000 0.09039 33 3S 0.00000 0.00651 0.43545 34 3PX 0.00000 -0.00000 -0.00000 0.15823 35 3PY 0.13056 0.00000 0.00000 0.00000 0.18336 36 3PZ 0.00000 0.12318 0.01747 -0.00000 0.00000 37 4S -0.00000 -0.01200 0.20102 0.00000 -0.00000 38 4PX 0.00000 -0.00000 0.00000 0.12605 0.00000 39 4PY 0.06461 0.00000 -0.00000 0.00000 0.09072 40 4PZ 0.00000 0.06210 -0.01618 -0.00000 0.00000 41 5S -0.00000 -0.02269 0.08236 0.00000 -0.00000 42 5PX 0.00000 -0.00000 0.00000 0.01741 0.00000 43 5PY 0.00550 -0.00000 -0.00000 0.00000 0.00742 44 5PZ -0.00000 -0.00151 -0.01315 -0.00000 -0.00000 45 6D 0 -0.00000 -0.00476 0.00332 0.00000 -0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00381 0.00000 47 6D-1 0.00769 -0.00000 -0.00000 0.00000 0.01082 48 6D+2 -0.00000 -0.00342 -0.00945 0.00000 -0.00000 49 6D-2 -0.00000 0.00000 -0.00000 0.00000 -0.00000 50 7D 0 -0.00000 -0.00036 -0.00498 -0.00000 -0.00000 51 7D+1 0.00000 -0.00000 0.00000 0.00438 0.00000 52 7D-1 0.00331 -0.00000 -0.00000 0.00000 0.00472 53 7D+2 -0.00000 -0.00116 -0.00217 -0.00000 -0.00000 54 7D-2 -0.00000 0.00000 0.00000 0.00000 -0.00000 55 3 C 1S -0.01681 -0.00981 -0.02011 -0.00000 -0.02735 56 2S -0.02704 -0.01576 -0.03107 -0.00000 -0.04089 57 2PX 0.00000 -0.00000 -0.00000 0.06713 0.00000 58 2PY -0.05179 -0.03093 -0.07728 0.00000 -0.07317 59 2PZ -0.03348 -0.01509 -0.04449 -0.00000 -0.04697 60 3S 0.07665 0.04509 0.07786 0.00000 0.10657 61 3PX 0.00000 -0.00000 -0.00000 0.10355 0.00000 62 3PY -0.07258 -0.04432 -0.10720 0.00000 -0.10251 63 3PZ -0.04747 -0.02107 -0.06177 -0.00000 -0.06659 64 4S 0.03166 0.02178 0.03709 -0.00000 0.04401 65 4PX 0.00000 -0.00000 -0.00000 0.08016 0.00000 66 4PY -0.03442 -0.01931 -0.05056 0.00000 -0.04864 67 4PZ -0.02227 -0.01624 -0.02471 -0.00000 -0.03117 68 5S -0.01606 0.06683 -0.01823 -0.00000 -0.02234 69 5PX 0.00000 -0.00000 -0.00000 0.01493 0.00000 70 5PY 0.00803 -0.00039 0.01949 0.00000 0.01110 71 5PZ -0.00034 0.01361 0.02186 -0.00000 -0.00067 72 6D 0 -0.00007 -0.00310 -0.00259 0.00000 -0.00012 73 6D+1 0.00000 0.00000 0.00000 -0.00220 0.00000 74 6D-1 0.00502 0.00089 0.00762 0.00000 0.00703 75 6D+2 -0.00197 -0.00298 -0.00491 0.00000 -0.00273 76 6D-2 -0.00000 0.00000 -0.00000 -0.00449 -0.00000 77 7D 0 0.00284 -0.00633 -0.00077 0.00000 0.00401 78 7D+1 -0.00000 0.00000 0.00000 -0.00939 -0.00000 79 7D-1 0.00453 -0.00162 0.00545 0.00000 0.00623 80 7D+2 0.00206 -0.00277 -0.00676 0.00000 0.00292 81 7D-2 -0.00000 0.00000 -0.00000 -0.01001 -0.00000 82 4 C 1S 0.00274 0.00330 0.00461 -0.00000 0.00265 83 2S 0.00434 0.00525 0.00819 -0.00000 0.00515 84 2PX -0.00000 -0.00000 -0.00000 -0.00376 -0.00000 85 2PY 0.00368 0.00147 0.00692 -0.00000 0.00397 86 2PZ 0.00758 0.00883 0.01904 -0.00000 0.01084 87 3S -0.01329 -0.01555 -0.02716 0.00000 -0.01888 88 3PX -0.00000 -0.00000 -0.00000 -0.00474 -0.00000 89 3PY 0.00398 0.00260 0.01061 -0.00000 0.00395 90 3PZ 0.01039 0.01168 0.02743 -0.00000 0.01488 91 4S -0.00494 -0.00594 -0.01262 0.00000 -0.00714 92 4PX -0.00000 -0.00000 -0.00000 -0.01380 -0.00000 93 4PY 0.00357 0.00043 0.00953 -0.00000 0.00422 94 4PZ 0.00438 0.01045 0.01465 0.00000 0.00615 95 5S 0.08068 -0.06704 0.03804 0.00000 0.11311 96 5PX -0.00000 -0.00000 -0.00000 -0.01350 -0.00000 97 5PY -0.01910 0.00083 -0.02609 -0.00000 -0.02677 98 5PZ 0.01660 0.01985 0.01604 0.00000 0.02308 99 6D 0 -0.00051 -0.00004 -0.00099 0.00000 -0.00072 100 6D+1 0.00000 0.00000 0.00000 -0.00402 0.00000 101 6D-1 0.00230 0.00166 0.00300 -0.00000 0.00315 102 6D+2 -0.00016 -0.00001 -0.00002 0.00000 -0.00021 103 6D-2 -0.00000 -0.00000 -0.00000 0.00116 -0.00000 104 7D 0 0.00096 0.00024 0.00003 0.00000 0.00139 105 7D+1 -0.00000 0.00000 0.00000 -0.01275 -0.00000 106 7D-1 0.00565 0.00392 0.00831 -0.00000 0.00792 107 7D+2 0.00014 -0.00162 -0.00094 0.00000 0.00025 108 7D-2 -0.00000 -0.00000 -0.00000 0.00480 -0.00000 109 5 C 1S 0.00000 0.00194 0.00176 -0.00000 0.00000 110 2S 0.00000 0.00308 0.00436 -0.00000 0.00000 111 2PX -0.00000 0.00000 -0.00000 -0.03835 -0.00000 112 2PY -0.00666 0.00000 0.00000 -0.00000 -0.00828 113 2PZ 0.00000 0.00483 0.01071 0.00000 0.00000 114 3S -0.00000 -0.00844 -0.01547 0.00000 -0.00000 115 3PX -0.00000 0.00000 -0.00000 -0.05728 -0.00000 116 3PY -0.00817 0.00000 0.00000 -0.00000 -0.00993 117 3PZ 0.00000 0.00811 0.01656 0.00000 0.00000 118 4S -0.00000 -0.01179 -0.00646 0.00000 -0.00000 119 4PX -0.00000 0.00000 -0.00000 -0.05652 -0.00000 120 4PY -0.00939 0.00000 0.00000 -0.00000 -0.01218 121 4PZ 0.00000 0.00889 0.01287 0.00000 0.00000 122 5S 0.00000 0.00992 -0.12764 -0.00000 0.00000 123 5PX -0.00000 0.00000 -0.00000 -0.01050 -0.00000 124 5PY -0.04833 0.00000 0.00000 -0.00000 -0.06743 125 5PZ 0.00000 -0.01108 0.01488 0.00000 0.00000 126 6D 0 -0.00000 -0.00029 -0.00073 0.00000 -0.00000 127 6D+1 0.00000 -0.00000 0.00000 0.00041 0.00000 128 6D-1 0.00077 -0.00000 -0.00000 0.00000 0.00097 129 6D+2 -0.00000 0.00002 -0.00004 -0.00000 -0.00000 130 6D-2 -0.00000 0.00000 0.00000 0.00000 -0.00000 131 7D 0 -0.00000 -0.00185 -0.00395 0.00000 -0.00000 132 7D+1 -0.00000 0.00000 0.00000 -0.00315 -0.00000 133 7D-1 0.00135 -0.00000 -0.00000 -0.00000 0.00181 134 7D+2 -0.00000 -0.00138 -0.00252 0.00000 -0.00000 135 7D-2 -0.00000 0.00000 0.00000 -0.00000 -0.00000 136 6 C 1S -0.00274 0.00330 0.00461 -0.00000 -0.00265 137 2S -0.00434 0.00525 0.00819 -0.00000 -0.00515 138 2PX 0.00000 -0.00000 -0.00000 -0.00376 0.00000 139 2PY 0.00368 -0.00147 -0.00692 0.00000 0.00397 140 2PZ -0.00758 0.00883 0.01904 -0.00000 -0.01084 141 3S 0.01329 -0.01555 -0.02716 0.00000 0.01888 142 3PX 0.00000 -0.00000 -0.00000 -0.00474 0.00000 143 3PY 0.00398 -0.00260 -0.01061 0.00000 0.00395 144 3PZ -0.01039 0.01168 0.02743 -0.00000 -0.01488 145 4S 0.00494 -0.00594 -0.01262 0.00000 0.00714 146 4PX 0.00000 -0.00000 -0.00000 -0.01380 -0.00000 147 4PY 0.00357 -0.00043 -0.00953 -0.00000 0.00422 148 4PZ -0.00438 0.01045 0.01465 -0.00000 -0.00615 149 5S -0.08068 -0.06704 0.03804 0.00000 -0.11311 150 5PX -0.00000 -0.00000 0.00000 -0.01350 -0.00000 151 5PY -0.01910 -0.00083 0.02609 -0.00000 -0.02677 152 5PZ -0.01660 0.01985 0.01604 -0.00000 -0.02308 153 6D 0 0.00051 -0.00004 -0.00099 0.00000 0.00072 154 6D+1 -0.00000 0.00000 -0.00000 -0.00402 -0.00000 155 6D-1 0.00230 -0.00166 -0.00300 0.00000 0.00315 156 6D+2 0.00016 -0.00001 -0.00002 0.00000 0.00021 157 6D-2 -0.00000 0.00000 0.00000 -0.00116 -0.00000 158 7D 0 -0.00096 0.00024 0.00003 0.00000 -0.00139 159 7D+1 -0.00000 0.00000 -0.00000 -0.01275 -0.00000 160 7D-1 0.00565 -0.00392 -0.00831 0.00000 0.00792 161 7D+2 -0.00014 -0.00162 -0.00094 0.00000 -0.00025 162 7D-2 -0.00000 0.00000 0.00000 -0.00480 -0.00000 163 7 H 1S -0.00790 0.00469 0.01229 -0.00000 -0.01020 164 2S -0.01392 0.00625 0.01634 -0.00000 -0.01824 165 3S -0.01582 0.01195 0.01751 -0.00000 -0.02157 166 4PX -0.00000 -0.00000 -0.00000 -0.00092 -0.00000 167 4PY -0.00041 -0.00002 0.00030 -0.00000 -0.00051 168 4PZ -0.00011 0.00080 0.00086 -0.00000 -0.00023 169 8 Mg 1S 0.00000 0.00004 0.00019 -0.00000 0.00000 170 2S 0.00000 0.00012 0.00051 -0.00000 0.00000 171 3S -0.00000 -0.00032 -0.00134 0.00000 -0.00000 172 4S -0.00000 -0.00027 -0.00171 0.00000 -0.00000 173 5S -0.00000 -0.00010 0.00424 -0.00000 0.00000 174 6S -0.00000 -0.00572 -0.00811 0.00000 -0.00000 175 7S 0.00000 0.00008 0.00113 -0.00000 0.00000 176 7PX 0.00000 -0.00000 0.00000 0.00087 0.00000 177 7PY -0.00005 -0.00000 -0.00000 0.00000 -0.00008 178 7PZ -0.00000 -0.00032 -0.00057 -0.00000 -0.00000 179 8PX 0.00000 -0.00000 -0.00000 0.00450 0.00000 180 8PY -0.00009 0.00000 0.00000 0.00000 -0.00000 181 8PZ 0.00000 0.00046 0.00108 -0.00000 0.00000 182 9PX 0.00000 -0.00000 -0.00000 0.00624 0.00000 183 9PY -0.00010 0.00000 0.00000 0.00000 0.00004 184 9PZ 0.00000 0.00063 0.00147 -0.00000 0.00000 185 10PX -0.00000 0.00000 0.00000 -0.00822 -0.00000 186 10PY -0.00037 -0.00000 -0.00000 -0.00000 -0.00050 187 10PZ -0.00000 -0.00100 -0.00263 0.00000 -0.00000 188 11PX -0.00000 0.00000 -0.00000 -0.01422 -0.00000 189 11PY 0.00233 0.00000 0.00000 -0.00000 0.00314 190 11PZ 0.00000 0.00202 0.00297 0.00000 -0.00000 191 12PX 0.00000 0.00000 0.00000 0.00076 0.00000 192 12PY 0.00341 -0.00000 -0.00000 0.00000 0.00476 193 12PZ -0.00000 -0.00873 -0.00741 0.00000 -0.00000 194 13D 0 -0.00000 0.00029 0.00053 -0.00000 0.00000 195 13D+1 0.00000 -0.00000 0.00000 0.00546 0.00000 196 13D-1 0.00021 0.00000 0.00000 0.00000 0.00021 197 13D+2 -0.00000 -0.00024 -0.00036 -0.00000 -0.00000 198 13D-2 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 199 14D 0 0.00000 -0.00067 -0.00111 -0.00000 0.00000 200 14D+1 0.00000 -0.00000 0.00000 0.00693 0.00000 201 14D-1 -0.00121 -0.00000 -0.00000 0.00000 -0.00172 202 14D+2 0.00000 -0.00029 -0.00031 -0.00000 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S -0.00000 -0.00000 0.00001 0.00000 -0.00000 205 2S -0.00000 -0.00001 0.00004 0.00000 -0.00000 206 3S 0.00000 0.00002 -0.00011 -0.00000 0.00000 207 4S 0.00000 0.00003 -0.00015 -0.00000 0.00000 208 5S -0.00000 -0.00006 0.00029 0.00000 -0.00000 209 6S -0.00000 -0.00009 0.00024 0.00000 -0.00000 210 7S 0.00000 0.00022 -0.00001 -0.00000 0.00000 211 8S 0.00000 0.00016 -0.00080 -0.00000 0.00000 212 9S 0.00000 0.00960 0.00871 -0.00000 0.00000 213 9PX -0.00000 0.00000 0.00000 -0.00090 -0.00000 214 9PY -0.00069 -0.00000 -0.00000 -0.00000 -0.00100 215 9PZ -0.00000 -0.00301 -0.00283 0.00000 -0.00000 216 10PX 0.00000 -0.00000 -0.00000 0.00010 0.00000 217 10PY -0.00001 0.00000 0.00000 0.00000 -0.00003 218 10PZ 0.00000 0.00001 0.00006 -0.00000 0.00000 219 11PX 0.00000 -0.00000 -0.00000 0.00084 0.00000 220 11PY -0.00007 0.00000 0.00000 0.00000 -0.00027 221 11PZ 0.00000 0.00011 0.00052 -0.00000 0.00000 222 12PX -0.00000 0.00000 0.00000 -0.00220 -0.00000 223 12PY 0.00019 -0.00000 -0.00000 -0.00000 0.00071 224 12PZ -0.00000 -0.00026 -0.00135 0.00000 -0.00000 225 13PX -0.00000 0.00000 0.00000 -0.00084 -0.00000 226 13PY 0.00006 -0.00000 -0.00000 -0.00000 0.00025 227 13PZ -0.00000 -0.00006 -0.00043 0.00000 -0.00000 228 14PX 0.00000 -0.00000 -0.00000 0.00190 0.00000 229 14PY -0.00015 0.00000 0.00000 0.00000 -0.00057 230 14PZ 0.00000 0.00012 0.00096 -0.00000 0.00000 231 15PX 0.00000 -0.00000 -0.00000 0.00434 0.00000 232 15PY -0.00038 0.00000 0.00000 0.00000 -0.00137 233 15PZ 0.00000 0.00060 0.00273 -0.00000 0.00000 234 16PX 0.00000 -0.00000 -0.00000 0.00196 0.00000 235 16PY -0.00006 0.00000 0.00000 0.00000 -0.00064 236 16PZ 0.00000 -0.00001 0.00192 -0.00000 0.00000 237 17D 0 -0.00000 0.00005 0.00041 0.00000 0.00000 238 17D+1 0.00000 0.00000 -0.00000 -0.00012 -0.00000 239 17D-1 0.00016 -0.00000 0.00000 -0.00000 -0.00087 240 17D+2 -0.00000 0.00003 -0.00018 0.00000 0.00000 241 17D-2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 242 18D 0 -0.00000 0.00001 0.00012 -0.00000 0.00000 243 18D+1 0.00000 -0.00000 -0.00000 0.00008 -0.00000 244 18D-1 0.00006 -0.00000 0.00000 -0.00000 -0.00030 245 18D+2 -0.00000 0.00002 -0.00005 -0.00000 0.00000 246 18D-2 -0.00000 -0.00000 -0.00000 0.00000 0.00000 247 19D 0 -0.00000 -0.00002 0.00002 0.00000 0.00000 248 19D+1 -0.00000 0.00000 0.00000 -0.00010 -0.00000 249 19D-1 0.00000 -0.00000 0.00000 -0.00000 -0.00005 250 19D+2 -0.00000 -0.00001 -0.00003 0.00000 0.00000 251 19D-2 -0.00000 0.00000 -0.00000 -0.00000 0.00000 252 20D 0 -0.00000 -0.00017 -0.00032 -0.00000 -0.00000 253 20D+1 0.00000 -0.00000 0.00000 0.00091 0.00000 254 20D-1 -0.00003 -0.00000 -0.00000 0.00000 -0.00002 255 20D+2 0.00000 0.00002 0.00002 -0.00000 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.00790 0.00469 0.01229 -0.00000 0.01020 258 2S 0.01392 0.00625 0.01634 0.00000 0.01824 259 3S 0.01582 0.01195 0.01751 -0.00000 0.02157 260 4PX -0.00000 -0.00000 -0.00000 -0.00092 -0.00000 261 4PY -0.00041 0.00002 -0.00030 -0.00000 -0.00051 262 4PZ 0.00011 0.00080 0.00086 -0.00000 0.00023 263 11 H 1S -0.01300 -0.00161 -0.02167 -0.00000 -0.01871 264 2S -0.02225 -0.00180 -0.03804 -0.00000 -0.03183 265 3S -0.02418 -0.00016 -0.01547 -0.00000 -0.03399 266 4PX 0.00000 -0.00000 0.00000 0.00560 0.00000 267 4PY -0.00150 -0.00079 0.00053 0.00000 -0.00205 268 4PZ -0.00202 -0.00097 -0.00362 -0.00000 -0.00288 269 12 H 1S -0.00000 -0.07613 0.08325 0.00000 -0.00000 270 2S -0.00000 -0.11531 0.11274 0.00000 -0.00000 271 3S -0.00000 -0.04478 -0.00832 0.00000 -0.00000 272 4PX 0.00000 0.00000 -0.00000 0.00875 0.00000 273 4PY 0.00407 -0.00000 0.00000 0.00000 0.00572 274 4PZ -0.00000 -0.00957 0.01844 0.00000 -0.00000 275 13 H 1S 0.01300 -0.00161 -0.02167 0.00000 0.01871 276 2S 0.02225 -0.00180 -0.03804 0.00000 0.03183 277 3S 0.02418 -0.00016 -0.01547 0.00000 0.03399 278 4PX -0.00000 -0.00000 0.00000 0.00560 -0.00000 279 4PY -0.00150 0.00079 -0.00053 0.00000 -0.00205 280 4PZ 0.00202 -0.00097 -0.00362 -0.00000 0.00288 36 37 38 39 40 36 3PZ 0.16811 37 4S -0.01224 0.10657 38 4PX -0.00000 0.00000 0.10139 39 4PY 0.00000 -0.00000 0.00000 0.04603 40 4PZ 0.08424 -0.01242 -0.00000 0.00000 0.04698 41 5S -0.02789 0.07218 0.00000 -0.00000 -0.00673 42 5PX -0.00000 0.00000 0.01427 0.00000 -0.00000 43 5PY -0.00000 -0.00000 0.00000 0.00453 -0.00000 44 5PZ -0.00235 -0.00783 -0.00000 -0.00000 -0.00138 45 6D 0 -0.00636 0.00230 0.00000 -0.00000 -0.00376 46 6D+1 0.00000 0.00000 0.00293 0.00000 0.00000 47 6D-1 -0.00000 0.00000 0.00000 0.00543 -0.00000 48 6D+2 -0.00481 -0.00380 -0.00000 -0.00000 -0.00208 49 6D-2 0.00000 -0.00000 0.00000 -0.00000 0.00000 50 7D 0 -0.00052 -0.00395 -0.00000 -0.00000 -0.00144 51 7D+1 -0.00000 0.00000 0.00317 0.00000 -0.00000 52 7D-1 -0.00000 -0.00000 0.00000 0.00273 -0.00000 53 7D+2 -0.00155 -0.00220 -0.00000 -0.00000 -0.00177 54 7D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 55 3 C 1S -0.01522 -0.00436 -0.00000 -0.01514 -0.00155 56 2S -0.02320 -0.00975 -0.00000 -0.02059 -0.00645 57 2PX -0.00000 0.00000 0.05167 0.00000 -0.00000 58 2PY -0.04406 -0.02953 0.00000 -0.03927 -0.01472 59 2PZ -0.02061 -0.01797 -0.00000 -0.02051 -0.01235 60 3S 0.06247 0.03275 0.00000 0.04716 0.03071 61 3PX -0.00000 0.00000 0.07960 0.00000 -0.00000 62 3PY -0.06302 -0.04116 0.00000 -0.05464 -0.02173 63 3PZ -0.02878 -0.02535 -0.00000 -0.02929 -0.01730 64 4S 0.02998 0.00486 0.00000 0.01866 0.00974 65 4PX -0.00000 0.00000 0.06249 0.00000 -0.00000 66 4PY -0.02760 -0.01599 0.00000 -0.02671 -0.00718 67 4PZ -0.02195 -0.01084 -0.00000 -0.01353 -0.01422 68 5S 0.09151 0.00520 -0.00000 -0.00970 0.05951 69 5PX -0.00000 -0.00000 0.01259 0.00000 -0.00000 70 5PY 0.00010 0.01824 0.00000 0.00483 0.00335 71 5PZ 0.01963 0.02373 -0.00000 0.00054 0.01555 72 6D 0 -0.00424 -0.00078 0.00000 0.00008 -0.00232 73 6D+1 0.00000 0.00000 -0.00203 0.00000 0.00000 74 6D-1 0.00141 0.00342 0.00000 0.00384 0.00017 75 6D+2 -0.00412 -0.00183 0.00000 -0.00114 -0.00198 76 6D-2 0.00000 -0.00000 -0.00355 -0.00000 0.00000 77 7D 0 -0.00866 -0.00092 0.00000 0.00207 -0.00527 78 7D+1 0.00000 0.00000 -0.00822 -0.00000 0.00000 79 7D-1 -0.00212 0.00049 0.00000 0.00350 -0.00230 80 7D+2 -0.00388 -0.00270 0.00000 0.00134 -0.00149 81 7D-2 0.00000 0.00000 -0.00805 -0.00000 0.00000 82 4 C 1S 0.00313 -0.00011 -0.00000 -0.00255 0.00006 83 2S 0.00633 0.00340 -0.00000 -0.00147 0.00360 84 2PX -0.00000 -0.00000 -0.00853 -0.00000 0.00000 85 2PY 0.00265 0.00029 -0.00000 0.00649 0.00053 86 2PZ 0.01154 0.00622 0.00000 0.00488 0.00685 87 3S -0.02297 -0.02140 0.00000 -0.00472 -0.02137 88 3PX -0.00000 -0.00000 -0.01234 -0.00000 0.00000 89 3PY 0.00451 0.00120 -0.00000 0.00806 0.00127 90 3PZ 0.01525 0.00937 0.00000 0.00641 0.00918 91 4S -0.00908 -0.00683 0.00000 -0.00063 -0.00654 92 4PX 0.00000 0.00000 -0.01765 -0.00000 0.00000 93 4PY 0.00131 0.00374 -0.00000 0.00559 -0.00051 94 4PZ 0.01370 -0.00276 0.00000 0.00306 0.00416 95 5S -0.09096 0.02635 0.00000 0.05555 -0.05036 96 5PX -0.00000 -0.00000 -0.01279 -0.00000 -0.00000 97 5PY 0.00020 -0.02694 -0.00000 -0.01267 -0.00513 98 5PZ 0.02798 0.02332 -0.00000 0.01259 0.02228 99 6D 0 0.00001 0.00022 0.00000 -0.00038 0.00013 100 6D+1 0.00000 -0.00000 -0.00326 -0.00000 0.00000 101 6D-1 0.00236 0.00035 -0.00000 0.00201 0.00063 102 6D+2 0.00008 0.00048 0.00000 -0.00022 0.00029 103 6D-2 -0.00000 -0.00000 0.00122 -0.00000 -0.00000 104 7D 0 0.00050 0.00423 0.00000 0.00057 0.00210 105 7D+1 0.00000 -0.00000 -0.01055 -0.00000 0.00000 106 7D-1 0.00544 -0.00130 -0.00000 0.00430 0.00006 107 7D+2 -0.00209 0.00173 0.00000 0.00018 -0.00020 108 7D-2 -0.00000 -0.00000 0.00454 -0.00000 -0.00000 109 5 C 1S 0.00213 -0.01375 0.00000 -0.00000 -0.00178 110 2S 0.00416 -0.01760 0.00000 -0.00000 -0.00332 111 2PX 0.00000 -0.00000 -0.03762 -0.00000 0.00000 112 2PY 0.00000 0.00000 -0.00000 -0.00755 0.00000 113 2PZ 0.00815 0.02414 0.00000 0.00000 0.01291 114 3S -0.01376 0.03412 -0.00000 0.00000 0.00990 115 3PX 0.00000 -0.00000 -0.05650 -0.00000 0.00000 116 3PY 0.00000 0.00000 -0.00000 -0.00969 0.00000 117 3PZ 0.01336 0.03603 0.00000 0.00000 0.01988 118 4S -0.01619 0.03817 -0.00000 0.00000 0.00650 119 4PX 0.00000 -0.00000 -0.05350 -0.00000 0.00000 120 4PY 0.00000 0.00000 -0.00000 -0.00990 0.00000 121 4PZ 0.01333 0.02785 0.00000 0.00000 0.01567 122 5S 0.00893 -0.16477 0.00000 -0.00000 -0.03768 123 5PX 0.00000 -0.00000 -0.00684 -0.00000 0.00000 124 5PY 0.00000 0.00000 -0.00000 -0.03507 0.00000 125 5PZ -0.01439 0.00496 0.00000 0.00000 -0.01338 126 6D 0 -0.00039 -0.00017 -0.00000 -0.00000 -0.00023 127 6D+1 -0.00000 -0.00000 0.00069 0.00000 -0.00000 128 6D-1 -0.00000 -0.00000 0.00000 0.00079 -0.00000 129 6D+2 0.00013 0.00011 -0.00000 -0.00000 0.00014 130 6D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 131 7D 0 -0.00245 0.00267 0.00000 -0.00000 0.00034 132 7D+1 0.00000 -0.00000 -0.00226 -0.00000 0.00000 133 7D-1 -0.00000 0.00000 -0.00000 0.00098 -0.00000 134 7D+2 -0.00182 0.00134 0.00000 -0.00000 0.00019 135 7D-2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 136 6 C 1S 0.00313 -0.00011 0.00000 0.00255 0.00006 137 2S 0.00633 0.00340 -0.00000 0.00147 0.00360 138 2PX -0.00000 -0.00000 -0.00853 0.00000 0.00000 139 2PY -0.00265 -0.00029 -0.00000 0.00649 -0.00053 140 2PZ 0.01154 0.00622 -0.00000 -0.00488 0.00685 141 3S -0.02297 -0.02140 0.00000 0.00472 -0.02137 142 3PX -0.00000 -0.00000 -0.01234 0.00000 0.00000 143 3PY -0.00451 -0.00120 -0.00000 0.00806 -0.00127 144 3PZ 0.01525 0.00937 -0.00000 -0.00641 0.00918 145 4S -0.00908 -0.00683 0.00000 0.00063 -0.00654 146 4PX -0.00000 0.00000 -0.01765 -0.00000 0.00000 147 4PY -0.00131 -0.00374 -0.00000 0.00559 0.00051 148 4PZ 0.01370 -0.00276 0.00000 -0.00306 0.00416 149 5S -0.09096 0.02635 0.00000 -0.05555 -0.05036 150 5PX -0.00000 -0.00000 -0.01279 -0.00000 -0.00000 151 5PY -0.00020 0.02694 -0.00000 -0.01267 0.00513 152 5PZ 0.02798 0.02332 -0.00000 -0.01259 0.02228 153 6D 0 0.00001 0.00022 0.00000 0.00038 0.00013 154 6D+1 0.00000 -0.00000 -0.00326 -0.00000 0.00000 155 6D-1 -0.00236 -0.00035 0.00000 0.00201 -0.00063 156 6D+2 0.00008 0.00048 0.00000 0.00022 0.00029 157 6D-2 0.00000 0.00000 -0.00122 -0.00000 0.00000 158 7D 0 0.00050 0.00423 0.00000 -0.00057 0.00210 159 7D+1 0.00000 -0.00000 -0.01055 -0.00000 0.00000 160 7D-1 -0.00544 0.00130 0.00000 0.00430 -0.00006 161 7D+2 -0.00209 0.00173 0.00000 -0.00018 -0.00020 162 7D-2 0.00000 -0.00000 -0.00454 -0.00000 0.00000 163 7 H 1S 0.00633 -0.00173 -0.00000 -0.00970 -0.00025 164 2S 0.00847 -0.00111 -0.00000 -0.01618 0.00057 165 3S 0.01623 -0.00160 -0.00000 -0.01366 0.00481 166 4PX -0.00000 -0.00000 -0.00120 -0.00000 0.00000 167 4PY -0.00007 -0.00028 -0.00000 -0.00077 -0.00023 168 4PZ 0.00108 0.00052 0.00000 0.00030 0.00072 169 8 Mg 1S 0.00015 -0.00282 0.00000 -0.00000 -0.00157 170 2S 0.00039 -0.00779 0.00000 -0.00000 -0.00440 171 3S -0.00101 0.01537 -0.00000 0.00000 0.00906 172 4S -0.00118 0.00637 -0.00000 0.00000 0.00461 173 5S 0.00222 0.05580 -0.00000 0.00000 0.02624 174 6S -0.00729 0.02204 -0.00000 0.00000 0.01271 175 7S 0.00010 -0.00126 0.00000 -0.00000 -0.00092 176 7PX -0.00000 -0.00000 0.00078 0.00000 -0.00000 177 7PY -0.00000 0.00000 0.00000 -0.00004 0.00000 178 7PZ -0.00039 0.00236 -0.00000 0.00000 0.00114 179 8PX -0.00000 -0.00000 0.00432 0.00000 -0.00000 180 8PY 0.00000 0.00000 0.00000 0.00292 0.00000 181 8PZ 0.00098 0.01042 -0.00000 0.00000 0.00464 182 9PX -0.00000 -0.00000 0.00597 0.00000 -0.00000 183 9PY 0.00000 0.00000 0.00000 0.00400 0.00000 184 9PZ 0.00132 0.01413 -0.00000 0.00000 0.00629 185 10PX 0.00000 0.00000 -0.00746 -0.00000 0.00000 186 10PY -0.00000 -0.00000 -0.00000 0.00002 -0.00000 187 10PZ -0.00168 -0.00890 0.00000 -0.00000 -0.00330 188 11PX 0.00000 0.00000 -0.01275 -0.00000 0.00000 189 11PY -0.00000 -0.00000 -0.00000 0.00181 -0.00000 190 11PZ 0.00235 -0.00663 0.00000 -0.00000 -0.00295 191 12PX 0.00000 0.00000 -0.00038 0.00000 0.00000 192 12PY -0.00000 -0.00000 0.00000 0.00241 -0.00000 193 12PZ -0.01211 -0.02684 0.00000 -0.00000 -0.01801 194 13D 0 0.00055 0.00531 -0.00000 0.00000 0.00291 195 13D+1 -0.00000 -0.00000 0.00510 0.00000 -0.00000 196 13D-1 0.00000 0.00000 0.00000 0.00037 0.00000 197 13D+2 -0.00033 -0.00009 -0.00000 -0.00000 -0.00015 198 13D-2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 199 14D 0 -0.00062 0.00752 -0.00000 0.00000 0.00411 200 14D+1 -0.00000 -0.00000 0.00680 0.00000 -0.00000 201 14D-1 0.00000 0.00000 0.00000 -0.00077 0.00000 202 14D+2 -0.00038 0.00063 -0.00000 0.00000 0.00009 203 14D-2 0.00000 -0.00000 0.00000 0.00000 -0.00000 204 9 Br 1S -0.00001 -0.00016 0.00000 -0.00000 -0.00013 205 2S -0.00003 -0.00051 0.00000 -0.00000 -0.00041 206 3S 0.00005 0.00145 -0.00000 0.00000 0.00114 207 4S 0.00006 0.00165 -0.00000 0.00000 0.00132 208 5S -0.00010 -0.00295 0.00000 -0.00000 -0.00244 209 6S -0.00024 -0.00371 0.00000 -0.00000 -0.00310 210 7S 0.00099 0.00362 -0.00000 0.00000 0.00429 211 8S 0.00024 -0.00824 0.00000 -0.00000 -0.00270 212 9S 0.01311 0.01595 -0.00000 0.00000 0.01176 213 9PX 0.00000 0.00000 -0.00038 -0.00000 0.00000 214 9PY -0.00000 -0.00000 -0.00000 -0.00039 -0.00000 215 9PZ -0.00412 -0.00564 0.00000 -0.00000 -0.00402 216 10PX -0.00000 0.00000 0.00011 0.00000 0.00000 217 10PY 0.00000 -0.00000 0.00000 0.00001 -0.00000 218 10PZ -0.00000 -0.00028 0.00000 -0.00000 -0.00025 219 11PX -0.00000 0.00000 0.00093 0.00000 0.00000 220 11PY 0.00000 -0.00000 0.00000 0.00015 -0.00000 221 11PZ -0.00001 -0.00222 0.00000 -0.00000 -0.00199 222 12PX 0.00000 -0.00000 -0.00242 -0.00000 -0.00000 223 12PY -0.00000 0.00000 -0.00000 -0.00096 0.00000 224 12PZ -0.00022 0.00476 -0.00000 0.00000 0.00440 225 13PX 0.00000 -0.00000 -0.00091 -0.00000 -0.00000 226 13PY -0.00000 0.00000 -0.00000 -0.00034 0.00000 227 13PZ -0.00002 0.00207 -0.00000 0.00000 0.00179 228 14PX -0.00000 0.00000 0.00204 0.00000 0.00000 229 14PY 0.00000 -0.00000 0.00000 0.00070 -0.00000 230 14PZ 0.00001 -0.00440 0.00000 -0.00000 -0.00390 231 15PX -0.00000 0.00000 0.00479 0.00000 0.00000 232 15PY 0.00000 -0.00000 0.00000 0.00162 -0.00000 233 15PZ 0.00051 -0.00790 0.00000 -0.00000 -0.00790 234 16PX -0.00000 -0.00000 0.00203 0.00000 0.00000 235 16PY 0.00000 0.00000 0.00000 0.00119 -0.00000 236 16PZ -0.00001 0.00056 0.00000 -0.00000 -0.00247 237 17D 0 -0.00005 -0.00370 0.00000 -0.00000 -0.00175 238 17D+1 0.00000 0.00000 -0.00022 0.00000 -0.00000 239 17D-1 0.00000 -0.00000 0.00000 0.00320 -0.00000 240 17D+2 -0.00013 0.00004 -0.00000 -0.00000 0.00195 241 17D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 242 18D 0 -0.00004 -0.00153 0.00000 -0.00000 -0.00075 243 18D+1 -0.00000 0.00000 0.00005 0.00000 -0.00000 244 18D-1 0.00000 -0.00000 0.00000 0.00111 -0.00000 245 18D+2 -0.00004 0.00001 -0.00000 -0.00000 0.00067 246 18D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 247 19D 0 0.00001 0.00073 -0.00000 0.00000 0.00044 248 19D+1 0.00000 -0.00000 -0.00014 0.00000 -0.00000 249 19D-1 0.00000 0.00000 0.00000 0.00014 0.00000 250 19D+2 -0.00003 0.00002 0.00000 -0.00000 0.00011 251 19D-2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 252 20D 0 -0.00019 0.00006 -0.00000 0.00000 0.00022 253 20D+1 -0.00000 -0.00000 0.00085 0.00000 -0.00000 254 20D-1 -0.00000 0.00000 0.00000 -0.00004 0.00000 255 20D+2 0.00002 -0.00003 -0.00000 0.00000 0.00003 256 20D-2 0.00000 -0.00000 0.00000 0.00000 -0.00000 257 10 H 1S 0.00633 -0.00173 0.00000 0.00970 -0.00025 258 2S 0.00847 -0.00111 0.00000 0.01618 0.00057 259 3S 0.01623 -0.00160 0.00000 0.01366 0.00481 260 4PX -0.00000 -0.00000 -0.00120 -0.00000 0.00000 261 4PY 0.00007 0.00028 -0.00000 -0.00077 0.00023 262 4PZ 0.00108 0.00052 0.00000 -0.00030 0.00072 263 11 H 1S -0.00343 -0.00859 -0.00000 -0.01423 0.00416 264 2S -0.00439 -0.01713 -0.00000 -0.02330 0.00630 265 3S -0.00105 -0.00867 -0.00000 -0.01967 0.00167 266 4PX -0.00000 0.00000 0.00435 0.00000 -0.00000 267 4PY -0.00097 0.00035 0.00000 -0.00040 -0.00109 268 4PZ -0.00140 -0.00130 -0.00000 -0.00176 -0.00022 269 12 H 1S -0.10186 0.05152 0.00000 -0.00000 -0.05719 270 2S -0.15444 0.07379 0.00000 -0.00000 -0.08518 271 3S -0.06084 0.00433 0.00000 -0.00000 -0.03138 272 4PX 0.00000 -0.00000 0.00703 0.00000 0.00000 273 4PY -0.00000 0.00000 0.00000 0.00287 -0.00000 274 4PZ -0.01265 0.01038 0.00000 -0.00000 -0.00741 275 13 H 1S -0.00343 -0.00859 0.00000 0.01423 0.00416 276 2S -0.00439 -0.01713 0.00000 0.02330 0.00630 277 3S -0.00105 -0.00867 0.00000 0.01967 0.00167 278 4PX -0.00000 0.00000 0.00435 0.00000 -0.00000 279 4PY 0.00097 -0.00035 0.00000 -0.00040 0.00109 280 4PZ -0.00140 -0.00130 -0.00000 0.00176 -0.00022 41 42 43 44 45 41 5S 0.35708 42 5PX -0.00000 0.00210 43 5PY 0.00000 0.00000 0.04577 44 5PZ 0.02845 -0.00000 -0.00000 0.00703 45 6D 0 0.00348 -0.00000 0.00000 -0.00003 0.00046 46 6D+1 -0.00000 0.00037 0.00000 -0.00000 -0.00000 47 6D-1 0.00000 0.00000 -0.00035 0.00000 -0.00000 48 6D+2 0.00089 -0.00000 0.00000 0.00048 0.00020 49 6D-2 -0.00000 0.00000 0.00000 0.00000 -0.00000 50 7D 0 -0.00227 -0.00000 0.00000 0.00045 0.00036 51 7D+1 -0.00000 0.00035 -0.00000 -0.00000 -0.00000 52 7D-1 -0.00000 -0.00000 -0.00154 0.00000 0.00000 53 7D+2 0.00263 -0.00000 0.00000 0.00107 0.00031 54 7D-2 0.00000 0.00000 0.00000 -0.00000 -0.00000 55 3 C 1S 0.02713 -0.00000 0.00952 0.00819 0.00044 56 2S 0.03614 -0.00000 0.01294 0.01023 0.00071 57 2PX -0.00000 0.00664 0.00000 -0.00000 -0.00000 58 2PY -0.03250 0.00000 -0.00249 -0.00063 -0.00029 59 2PZ 0.01423 -0.00000 -0.01555 0.00046 0.00295 60 3S -0.07826 0.00000 -0.02925 -0.01956 -0.00205 61 3PX -0.00000 0.01019 0.00000 -0.00000 -0.00000 62 3PY -0.04387 0.00000 -0.00276 -0.00058 -0.00024 63 3PZ 0.01670 -0.00000 -0.02166 0.00046 0.00405 64 4S -0.07623 0.00000 -0.00652 -0.00826 -0.00124 65 4PX -0.00000 0.00825 0.00000 -0.00000 -0.00000 66 4PY -0.01745 0.00000 -0.00346 -0.00189 -0.00026 67 4PZ 0.00301 -0.00000 -0.00623 -0.00001 0.00253 68 5S -0.12994 0.00000 0.01670 -0.03954 -0.00336 69 5PX 0.00000 0.00191 -0.00000 0.00000 -0.00000 70 5PY 0.07610 0.00000 0.02214 0.00416 0.00031 71 5PZ 0.04683 0.00000 0.04200 -0.00643 0.00006 72 6D 0 0.00025 -0.00000 -0.00136 -0.00006 0.00030 73 6D+1 0.00000 -0.00035 0.00000 0.00000 -0.00000 74 6D-1 0.00456 0.00000 0.00056 0.00016 0.00008 75 6D+2 0.00170 -0.00000 -0.00003 0.00040 0.00020 76 6D-2 -0.00000 -0.00048 0.00000 0.00000 -0.00000 77 7D 0 -0.00206 0.00000 0.00040 0.00056 0.00042 78 7D+1 0.00000 -0.00134 -0.00000 0.00000 -0.00000 79 7D-1 0.00002 -0.00000 0.00075 0.00105 0.00009 80 7D+2 -0.00140 0.00000 -0.00039 0.00004 0.00007 81 7D-2 0.00000 -0.00113 -0.00000 -0.00000 -0.00000 82 4 C 1S -0.02416 0.00000 0.01218 -0.00766 -0.00050 83 2S -0.02738 0.00000 0.01243 -0.00930 -0.00081 84 2PX 0.00000 -0.00272 -0.00000 -0.00000 -0.00000 85 2PY 0.03497 -0.00000 0.00681 0.00612 -0.00018 86 2PZ 0.02161 0.00000 0.01895 0.00777 -0.00223 87 3S 0.03989 -0.00000 -0.01318 0.01687 0.00238 88 3PX 0.00000 -0.00408 -0.00000 -0.00000 -0.00000 89 3PY 0.04771 -0.00000 0.00895 0.00784 -0.00021 90 3PZ 0.02810 0.00000 0.02698 0.01035 -0.00307 91 4S 0.04376 -0.00000 -0.01717 0.01089 0.00055 92 4PX 0.00000 -0.00429 -0.00000 -0.00000 -0.00000 93 4PY 0.02869 -0.00000 0.00703 0.00298 0.00041 94 4PZ -0.00278 0.00000 0.01617 0.00761 -0.00185 95 5S 0.18130 -0.00000 0.00147 0.03272 0.00347 96 5PX -0.00000 -0.00231 -0.00000 0.00000 -0.00000 97 5PY -0.08924 -0.00000 -0.02731 -0.00220 -0.00048 98 5PZ 0.06854 0.00000 0.05167 -0.00479 -0.00057 99 6D 0 0.00066 -0.00000 -0.00153 -0.00062 0.00016 100 6D+1 0.00000 -0.00047 0.00000 0.00000 0.00000 101 6D-1 0.00194 -0.00000 0.00041 0.00053 -0.00002 102 6D+2 -0.00040 0.00000 -0.00052 -0.00063 0.00004 103 6D-2 -0.00000 0.00025 0.00000 -0.00000 -0.00000 104 7D 0 0.00926 0.00000 -0.00176 -0.00162 0.00009 105 7D+1 -0.00000 -0.00157 0.00000 0.00000 0.00000 106 7D-1 -0.00677 -0.00000 0.00088 0.00115 -0.00003 107 7D+2 0.00604 0.00000 -0.00052 -0.00047 0.00016 108 7D-2 0.00000 0.00082 0.00000 -0.00000 -0.00000 109 5 C 1S -0.00643 -0.00000 0.00000 0.00349 0.00016 110 2S -0.01822 -0.00000 0.00000 0.00395 0.00021 111 2PX -0.00000 -0.00716 -0.00000 0.00000 -0.00000 112 2PY 0.00000 -0.00000 0.00282 -0.00000 0.00000 113 2PZ 0.05847 0.00000 -0.00000 -0.00666 0.00027 114 3S 0.06964 0.00000 -0.00000 -0.00560 -0.00053 115 3PX -0.00000 -0.01083 -0.00000 0.00000 -0.00000 116 3PY 0.00000 -0.00000 0.00298 -0.00000 0.00000 117 3PZ 0.08749 0.00000 -0.00000 -0.00974 0.00030 118 4S 0.03225 0.00000 -0.00000 -0.01736 0.00124 119 4PX -0.00000 -0.00972 -0.00000 0.00000 0.00000 120 4PY 0.00000 -0.00000 0.00723 -0.00000 0.00000 121 4PZ 0.03417 0.00000 -0.00000 -0.01081 0.00018 122 5S -0.75224 0.00000 -0.00000 -0.04016 -0.00212 123 5PX 0.00000 -0.00052 -0.00000 0.00000 -0.00000 124 5PY -0.00000 -0.00000 -0.05195 0.00000 0.00000 125 5PZ -0.07960 0.00000 0.00000 -0.00990 0.00175 126 6D 0 -0.00128 0.00000 -0.00000 -0.00047 0.00010 127 6D+1 0.00000 0.00019 0.00000 0.00000 -0.00000 128 6D-1 -0.00000 0.00000 0.00048 -0.00000 0.00000 129 6D+2 -0.00071 0.00000 -0.00000 -0.00056 0.00007 130 6D-2 0.00000 0.00000 -0.00000 0.00000 -0.00000 131 7D 0 0.00271 0.00000 -0.00000 -0.00237 0.00035 132 7D+1 -0.00000 -0.00024 0.00000 0.00000 -0.00000 133 7D-1 0.00000 0.00000 0.00327 -0.00000 0.00000 134 7D+2 -0.00067 0.00000 -0.00000 -0.00180 0.00015 135 7D-2 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 136 6 C 1S -0.02416 0.00000 -0.01218 -0.00766 -0.00050 137 2S -0.02738 0.00000 -0.01243 -0.00930 -0.00081 138 2PX -0.00000 -0.00272 0.00000 -0.00000 0.00000 139 2PY -0.03497 0.00000 0.00681 -0.00612 0.00018 140 2PZ 0.02161 -0.00000 -0.01895 0.00777 -0.00223 141 3S 0.03989 -0.00000 0.01318 0.01687 0.00238 142 3PX -0.00000 -0.00408 0.00000 -0.00000 0.00000 143 3PY -0.04771 0.00000 0.00895 -0.00784 0.00021 144 3PZ 0.02810 -0.00000 -0.02698 0.01035 -0.00307 145 4S 0.04376 0.00000 0.01717 0.01089 0.00055 146 4PX -0.00000 -0.00429 0.00000 -0.00000 0.00000 147 4PY -0.02869 0.00000 0.00703 -0.00298 -0.00041 148 4PZ -0.00278 -0.00000 -0.01617 0.00761 -0.00185 149 5S 0.18130 -0.00000 -0.00147 0.03272 0.00347 150 5PX -0.00000 -0.00231 0.00000 0.00000 0.00000 151 5PY 0.08924 -0.00000 -0.02731 0.00220 0.00048 152 5PZ 0.06854 -0.00000 -0.05167 -0.00479 -0.00057 153 6D 0 0.00066 0.00000 0.00153 -0.00062 0.00016 154 6D+1 -0.00000 -0.00047 -0.00000 0.00000 -0.00000 155 6D-1 -0.00194 0.00000 0.00041 -0.00053 0.00002 156 6D+2 -0.00040 0.00000 0.00052 -0.00063 0.00004 157 6D-2 0.00000 -0.00025 -0.00000 0.00000 -0.00000 158 7D 0 0.00926 0.00000 0.00176 -0.00162 0.00009 159 7D+1 -0.00000 -0.00157 -0.00000 0.00000 -0.00000 160 7D-1 0.00677 0.00000 0.00088 -0.00115 0.00003 161 7D+2 0.00604 0.00000 0.00052 -0.00047 0.00016 162 7D-2 -0.00000 -0.00082 -0.00000 0.00000 -0.00000 163 7 H 1S 0.04064 -0.00000 -0.01054 0.01193 -0.00065 164 2S 0.06529 -0.00000 -0.01579 0.01738 -0.00107 165 3S 0.01014 -0.00000 -0.01014 0.00730 -0.00122 166 4PX 0.00000 -0.00030 -0.00000 0.00000 0.00000 167 4PY 0.00649 -0.00000 -0.00115 0.00162 -0.00007 168 4PZ -0.00270 0.00000 -0.00024 -0.00059 -0.00008 169 8 Mg 1S -0.01743 0.00000 -0.00000 -0.00256 0.00005 170 2S -0.04673 0.00000 -0.00000 -0.00676 0.00014 171 3S 0.09174 -0.00000 0.00000 0.01456 -0.00037 172 4S 0.04729 -0.00000 0.00000 0.01342 -0.00051 173 5S 0.26645 0.00000 -0.00000 -0.00170 0.00134 174 6S 0.24089 -0.00000 0.00000 0.01842 -0.00045 175 7S -0.01252 0.00000 -0.00000 -0.00074 -0.00000 176 7PX -0.00000 0.00015 0.00000 -0.00000 -0.00000 177 7PY 0.00000 0.00000 0.00129 -0.00000 0.00000 178 7PZ 0.01226 -0.00000 -0.00000 0.00017 0.00000 179 8PX -0.00000 -0.00120 -0.00000 -0.00000 -0.00000 180 8PY 0.00000 -0.00000 -0.05498 0.00000 0.00000 181 8PZ 0.05694 -0.00000 0.00000 0.00924 0.00012 182 9PX -0.00000 -0.00162 -0.00000 -0.00000 -0.00000 183 9PY 0.00000 -0.00000 -0.07507 0.00000 0.00000 184 9PZ 0.07681 -0.00000 0.00000 0.01251 0.00015 185 10PX -0.00000 -0.00148 0.00000 -0.00000 0.00000 186 10PY 0.00000 0.00000 0.00366 0.00000 -0.00000 187 10PZ 0.02775 -0.00000 0.00000 0.00881 -0.00019 188 11PX 0.00000 -0.00205 0.00000 0.00000 0.00000 189 11PY -0.00000 0.00000 0.01335 -0.00000 -0.00000 190 11PZ -0.05006 0.00000 -0.00000 -0.00226 -0.00026 191 12PX 0.00000 -0.00037 -0.00000 0.00000 -0.00000 192 12PY -0.00000 -0.00000 -0.00136 -0.00000 0.00000 193 12PZ -0.16140 0.00000 -0.00000 -0.00812 0.00047 194 13D 0 0.02877 -0.00000 -0.00000 0.00049 -0.00003 195 13D+1 -0.00000 0.00092 0.00000 -0.00000 -0.00000 196 13D-1 0.00000 0.00000 0.00560 -0.00000 -0.00000 197 13D+2 -0.00090 -0.00000 -0.00000 -0.00018 0.00003 198 13D-2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 199 14D 0 0.04798 -0.00000 -0.00000 0.00140 0.00005 200 14D+1 -0.00000 0.00134 0.00000 -0.00000 -0.00000 201 14D-1 0.00000 0.00000 0.01009 -0.00000 0.00000 202 14D+2 0.00166 -0.00000 -0.00000 -0.00030 0.00005 203 14D-2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 204 9 Br 1S -0.00354 0.00000 -0.00000 -0.00039 0.00000 205 2S -0.01137 0.00000 -0.00000 -0.00126 0.00001 206 3S 0.03172 -0.00000 0.00000 0.00348 -0.00003 207 4S 0.03787 -0.00000 0.00000 0.00424 -0.00004 208 5S -0.07101 0.00000 -0.00000 -0.00816 0.00007 209 6S -0.08155 0.00000 -0.00000 -0.00939 0.00009 210 7S 0.09040 -0.00000 0.00000 0.01226 -0.00016 211 8S 0.00718 -0.00000 0.00000 0.00707 -0.00018 212 9S 0.07278 -0.00000 0.00000 0.00262 -0.00026 213 9PX 0.00000 0.00006 0.00000 0.00000 -0.00000 214 9PY -0.00000 0.00000 0.00591 -0.00000 0.00000 215 9PZ -0.02604 0.00000 -0.00000 -0.00077 0.00009 216 10PX 0.00000 0.00002 0.00000 0.00000 -0.00000 217 10PY -0.00000 0.00000 0.00388 -0.00000 0.00000 218 10PZ -0.00486 0.00000 -0.00000 -0.00027 0.00000 219 11PX 0.00000 0.00021 0.00000 0.00000 -0.00000 220 11PY -0.00000 0.00000 0.03133 -0.00000 0.00000 221 11PZ -0.04099 0.00000 -0.00000 -0.00246 0.00004 222 12PX -0.00000 -0.00072 -0.00000 -0.00000 0.00000 223 12PY 0.00000 -0.00000 -0.06785 0.00000 -0.00000 224 12PZ 0.12565 -0.00000 0.00000 0.01077 -0.00012 225 13PX -0.00000 -0.00026 -0.00000 -0.00000 0.00000 226 13PY 0.00000 -0.00000 -0.02491 0.00000 -0.00000 227 13PZ 0.04631 -0.00000 0.00000 0.00380 -0.00005 228 14PX 0.00000 0.00056 0.00000 0.00000 -0.00000 229 14PY -0.00000 0.00000 0.05680 -0.00000 0.00000 230 14PZ -0.10002 0.00000 -0.00000 -0.00810 0.00010 231 15PX 0.00000 0.00135 0.00000 0.00000 -0.00000 232 15PY -0.00000 0.00000 0.13132 -0.00000 0.00000 233 15PZ -0.22834 0.00000 -0.00000 -0.01945 0.00025 234 16PX 0.00000 0.00059 0.00000 0.00000 -0.00000 235 16PY -0.00000 0.00000 0.08575 -0.00000 0.00000 236 16PZ -0.11855 0.00000 -0.00000 -0.01251 0.00024 237 17D 0 0.01252 -0.00000 -0.00000 0.00579 -0.00003 238 17D+1 0.00000 0.00211 0.00000 0.00000 -0.00000 239 17D-1 -0.00000 0.00000 0.02631 -0.00000 -0.00000 240 17D+2 -0.08419 0.00000 -0.00000 -0.00898 0.00001 241 17D-2 -0.00000 0.00000 -0.00000 -0.00000 0.00000 242 18D 0 0.00239 -0.00000 -0.00000 0.00191 -0.00001 243 18D+1 0.00000 0.00076 0.00000 0.00000 0.00000 244 18D-1 -0.00000 0.00000 0.00913 -0.00000 -0.00000 245 18D+2 -0.02915 0.00000 -0.00000 -0.00310 0.00000 246 18D-2 -0.00000 0.00000 -0.00000 -0.00000 0.00000 247 19D 0 0.00983 -0.00000 0.00000 0.00082 0.00001 248 19D+1 -0.00000 0.00008 0.00000 -0.00000 -0.00000 249 19D-1 0.00000 0.00000 0.00005 0.00000 0.00000 250 19D+2 -0.00465 0.00000 -0.00000 -0.00051 0.00000 251 19D-2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 252 20D 0 0.01453 -0.00000 0.00000 0.00144 0.00002 253 20D+1 -0.00000 0.00019 -0.00000 -0.00000 -0.00000 254 20D-1 0.00000 -0.00000 -0.00652 0.00000 0.00000 255 20D+2 -0.00190 -0.00000 0.00000 -0.00018 -0.00000 256 20D-2 -0.00000 0.00000 0.00000 -0.00000 -0.00000 257 10 H 1S 0.04064 -0.00000 0.01054 0.01193 -0.00065 258 2S 0.06529 -0.00000 0.01579 0.01738 -0.00107 259 3S 0.01014 -0.00000 0.01014 0.00730 -0.00122 260 4PX -0.00000 -0.00030 -0.00000 -0.00000 -0.00000 261 4PY -0.00649 0.00000 -0.00115 -0.00162 0.00007 262 4PZ -0.00270 0.00000 0.00024 -0.00059 -0.00008 263 11 H 1S -0.05121 0.00000 -0.00193 -0.00501 -0.00217 264 2S -0.07955 0.00000 -0.00253 -0.00663 -0.00339 265 3S -0.02719 0.00000 0.00194 -0.00045 -0.00130 266 4PX 0.00000 0.00057 0.00000 0.00000 -0.00000 267 4PY 0.00706 -0.00000 0.00035 0.00077 0.00033 268 4PZ -0.00368 -0.00000 -0.00096 -0.00052 -0.00005 269 12 H 1S 0.03930 0.00000 -0.00000 -0.00170 0.00521 270 2S 0.06409 0.00000 -0.00000 -0.00243 0.00788 271 3S 0.01305 0.00000 -0.00000 -0.00059 0.00315 272 4PX -0.00000 0.00098 0.00000 -0.00000 -0.00000 273 4PY 0.00000 0.00000 0.00042 -0.00000 0.00000 274 4PZ 0.00705 -0.00000 -0.00000 -0.00040 0.00068 275 13 H 1S -0.05121 0.00000 0.00193 -0.00501 -0.00217 276 2S -0.07955 0.00000 0.00253 -0.00663 -0.00339 277 3S -0.02719 -0.00000 -0.00194 -0.00045 -0.00130 278 4PX -0.00000 0.00057 -0.00000 -0.00000 -0.00000 279 4PY -0.00706 0.00000 0.00035 -0.00077 -0.00033 280 4PZ -0.00368 0.00000 0.00096 -0.00052 -0.00005 46 47 48 49 50 46 6D+1 0.00010 47 6D-1 0.00000 0.00074 48 6D+2 -0.00000 -0.00000 0.00039 49 6D-2 -0.00000 -0.00000 -0.00000 0.00021 50 7D 0 -0.00000 0.00000 0.00031 -0.00000 0.00129 51 7D+1 0.00014 0.00000 -0.00000 -0.00000 -0.00000 52 7D-1 0.00000 0.00051 0.00000 -0.00000 0.00000 53 7D+2 -0.00000 0.00000 0.00027 -0.00000 0.00079 54 7D-2 -0.00000 -0.00000 -0.00000 0.00067 -0.00000 55 3 C 1S -0.00000 -0.00194 0.00114 0.00000 0.00233 56 2S -0.00000 -0.00295 0.00176 0.00000 0.00187 57 2PX 0.00182 -0.00000 -0.00000 0.00273 -0.00000 58 2PY -0.00000 -0.00521 0.00182 0.00000 -0.00152 59 2PZ -0.00000 -0.00101 0.00279 -0.00000 0.00622 60 3S 0.00000 0.00789 -0.00458 -0.00000 0.00055 61 3PX 0.00282 -0.00000 -0.00000 0.00417 -0.00000 62 3PY -0.00000 -0.00728 0.00262 0.00000 -0.00190 63 3PZ -0.00000 -0.00143 0.00383 -0.00000 0.00864 64 4S 0.00000 0.00309 -0.00232 -0.00000 0.00103 65 4PX 0.00209 -0.00000 -0.00000 0.00355 -0.00000 66 4PY -0.00000 -0.00353 0.00107 0.00000 -0.00126 67 4PZ -0.00000 -0.00069 0.00213 -0.00000 0.00451 68 5S 0.00000 -0.00020 -0.00276 0.00000 -0.00268 69 5PX 0.00028 0.00000 0.00000 0.00070 -0.00000 70 5PY 0.00000 0.00020 -0.00021 0.00000 -0.00111 71 5PZ 0.00000 -0.00038 -0.00066 -0.00000 -0.00148 72 6D 0 -0.00000 0.00014 0.00023 -0.00000 0.00045 73 6D+1 -0.00002 0.00000 -0.00000 0.00013 -0.00000 74 6D-1 0.00000 0.00044 -0.00013 -0.00000 -0.00001 75 6D+2 -0.00000 -0.00012 0.00027 -0.00000 0.00020 76 6D-2 -0.00011 -0.00000 0.00000 -0.00001 -0.00000 77 7D 0 -0.00000 0.00028 0.00028 -0.00000 0.00054 78 7D+1 -0.00014 -0.00000 -0.00000 0.00031 -0.00000 79 7D-1 0.00000 0.00034 -0.00006 -0.00000 0.00028 80 7D+2 0.00000 0.00022 0.00022 -0.00000 0.00006 81 7D-2 -0.00023 -0.00000 0.00000 0.00013 -0.00000 82 4 C 1S 0.00000 -0.00025 -0.00021 0.00000 -0.00186 83 2S 0.00000 -0.00037 -0.00049 0.00000 -0.00281 84 2PX 0.00053 -0.00000 0.00000 0.00272 -0.00000 85 2PY 0.00000 -0.00037 -0.00003 0.00000 -0.00060 86 2PZ 0.00000 -0.00103 -0.00144 0.00000 -0.00493 87 3S -0.00000 0.00087 0.00191 -0.00000 0.00753 88 3PX 0.00085 -0.00000 0.00000 0.00414 -0.00000 89 3PY 0.00000 -0.00063 -0.00007 0.00000 -0.00080 90 3PZ 0.00000 -0.00150 -0.00201 -0.00000 -0.00687 91 4S -0.00000 0.00034 0.00058 -0.00000 0.00226 92 4PX 0.00042 -0.00000 0.00000 0.00360 -0.00000 93 4PY -0.00000 -0.00009 0.00015 0.00000 0.00022 94 4PZ 0.00000 -0.00093 -0.00123 -0.00000 -0.00254 95 5S -0.00000 0.00477 0.00252 -0.00000 -0.00201 96 5PX -0.00010 -0.00000 0.00000 0.00080 0.00000 97 5PY -0.00000 -0.00107 0.00021 0.00000 0.00215 98 5PZ 0.00000 0.00091 -0.00091 -0.00000 -0.00221 99 6D 0 -0.00000 0.00010 0.00009 -0.00000 0.00029 100 6D+1 -0.00009 0.00000 -0.00000 -0.00013 0.00000 101 6D-1 0.00000 0.00019 -0.00008 -0.00000 0.00014 102 6D+2 0.00000 0.00002 0.00002 0.00000 -0.00001 103 6D-2 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 104 7D 0 0.00000 0.00012 0.00005 -0.00000 -0.00057 105 7D+1 -0.00026 0.00000 -0.00000 -0.00030 0.00000 106 7D-1 0.00000 0.00051 -0.00026 -0.00000 0.00098 107 7D+2 0.00000 0.00009 0.00015 0.00000 -0.00024 108 7D-2 0.00004 -0.00000 0.00000 0.00015 -0.00000 109 5 C 1S -0.00000 0.00000 0.00001 -0.00000 0.00317 110 2S -0.00000 0.00000 -0.00002 -0.00000 0.00405 111 2PX -0.00013 -0.00000 0.00000 -0.00000 0.00000 112 2PY -0.00000 -0.00066 0.00000 0.00000 -0.00000 113 2PZ -0.00000 0.00000 0.00008 -0.00000 -0.00365 114 3S 0.00000 -0.00000 0.00007 0.00000 -0.00799 115 3PX -0.00015 -0.00000 0.00000 -0.00000 0.00000 116 3PY -0.00000 -0.00079 0.00000 0.00000 -0.00000 117 3PZ -0.00000 0.00000 0.00003 -0.00000 -0.00552 118 4S -0.00000 0.00000 0.00091 -0.00000 -0.00608 119 4PX -0.00041 -0.00000 0.00000 -0.00000 0.00000 120 4PY -0.00000 -0.00062 0.00000 0.00000 -0.00000 121 4PZ 0.00000 0.00000 -0.00014 -0.00000 -0.00408 122 5S 0.00000 -0.00000 0.00062 0.00000 0.01507 123 5PX -0.00042 -0.00000 -0.00000 -0.00000 -0.00000 124 5PY -0.00000 -0.00252 0.00000 0.00000 -0.00000 125 5PZ -0.00000 0.00000 0.00084 -0.00000 0.00076 126 6D 0 -0.00000 0.00000 0.00006 -0.00000 0.00023 127 6D+1 -0.00003 -0.00000 -0.00000 -0.00000 -0.00000 128 6D-1 -0.00000 -0.00002 0.00000 -0.00000 0.00000 129 6D+2 -0.00000 0.00000 0.00004 -0.00000 0.00012 130 6D-2 -0.00000 -0.00000 -0.00000 0.00019 -0.00000 131 7D 0 -0.00000 0.00000 0.00028 -0.00000 -0.00007 132 7D+1 -0.00010 -0.00000 -0.00000 -0.00000 0.00000 133 7D-1 -0.00000 -0.00009 0.00000 -0.00000 0.00000 134 7D+2 -0.00000 0.00000 0.00013 -0.00000 -0.00017 135 7D-2 -0.00000 -0.00000 -0.00000 0.00065 -0.00000 136 6 C 1S 0.00000 0.00025 -0.00021 0.00000 -0.00186 137 2S 0.00000 0.00037 -0.00049 0.00000 -0.00281 138 2PX 0.00053 0.00000 0.00000 -0.00272 0.00000 139 2PY 0.00000 -0.00037 0.00003 -0.00000 0.00060 140 2PZ 0.00000 0.00103 -0.00144 0.00000 -0.00493 141 3S -0.00000 -0.00087 0.00191 -0.00000 0.00753 142 3PX 0.00085 0.00000 0.00000 -0.00414 0.00000 143 3PY 0.00000 -0.00063 0.00007 -0.00000 0.00080 144 3PZ 0.00000 0.00150 -0.00201 0.00000 -0.00687 145 4S -0.00000 -0.00034 0.00058 0.00000 0.00226 146 4PX 0.00042 0.00000 0.00000 -0.00360 0.00000 147 4PY 0.00000 -0.00009 -0.00015 -0.00000 -0.00022 148 4PZ 0.00000 0.00093 -0.00123 0.00000 -0.00254 149 5S -0.00000 -0.00477 0.00252 0.00000 -0.00201 150 5PX -0.00010 0.00000 0.00000 -0.00080 0.00000 151 5PY -0.00000 -0.00107 -0.00021 0.00000 -0.00215 152 5PZ 0.00000 -0.00091 -0.00091 0.00000 -0.00221 153 6D 0 -0.00000 -0.00010 0.00009 -0.00000 0.00029 154 6D+1 -0.00009 0.00000 0.00000 0.00013 -0.00000 155 6D-1 -0.00000 0.00019 0.00008 -0.00000 -0.00014 156 6D+2 0.00000 -0.00002 0.00002 -0.00000 -0.00001 157 6D-2 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 158 7D 0 -0.00000 -0.00012 0.00005 -0.00000 -0.00057 159 7D+1 -0.00026 -0.00000 0.00000 0.00030 -0.00000 160 7D-1 -0.00000 0.00051 0.00026 -0.00000 -0.00098 161 7D+2 -0.00000 -0.00009 0.00015 -0.00000 -0.00024 162 7D-2 -0.00004 -0.00000 -0.00000 0.00015 0.00000 163 7 H 1S 0.00000 0.00010 -0.00043 0.00000 -0.00054 164 2S 0.00000 -0.00003 -0.00059 0.00000 -0.00155 165 3S 0.00000 -0.00065 -0.00103 0.00000 -0.00069 166 4PX 0.00003 0.00000 0.00000 -0.00024 0.00000 167 4PY 0.00000 0.00003 -0.00001 -0.00000 -0.00014 168 4PZ 0.00000 0.00001 -0.00008 0.00000 -0.00015 169 8 Mg 1S -0.00000 0.00000 0.00001 -0.00000 0.00035 170 2S -0.00000 0.00000 0.00004 -0.00000 0.00093 171 3S 0.00000 -0.00000 -0.00012 0.00000 -0.00180 172 4S 0.00000 -0.00000 -0.00022 0.00000 -0.00088 173 5S -0.00000 0.00000 0.00084 -0.00000 -0.00533 174 6S 0.00000 -0.00000 0.00019 0.00000 -0.00329 175 7S 0.00000 -0.00000 -0.00003 0.00000 0.00014 176 7PX 0.00001 0.00000 -0.00000 0.00000 0.00000 177 7PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 178 7PZ -0.00000 0.00000 0.00002 0.00000 -0.00038 179 8PX 0.00004 0.00000 -0.00000 0.00000 0.00000 180 8PY 0.00000 0.00005 0.00000 -0.00000 -0.00000 181 8PZ -0.00000 0.00000 0.00007 -0.00000 -0.00141 182 9PX 0.00006 0.00000 -0.00000 0.00000 0.00000 183 9PY 0.00000 0.00007 0.00000 -0.00000 -0.00000 184 9PZ -0.00000 0.00000 0.00009 -0.00000 -0.00193 185 10PX -0.00009 -0.00000 0.00000 -0.00000 -0.00000 186 10PY -0.00000 -0.00007 -0.00000 0.00000 0.00000 187 10PZ 0.00000 -0.00000 -0.00011 0.00000 0.00201 188 11PX -0.00018 -0.00000 0.00000 -0.00000 -0.00000 189 11PY -0.00000 0.00003 -0.00000 -0.00000 0.00000 190 11PZ 0.00000 -0.00000 -0.00031 0.00000 0.00075 191 12PX 0.00013 0.00000 -0.00000 0.00000 -0.00000 192 12PY 0.00000 0.00011 0.00000 -0.00000 0.00000 193 12PZ -0.00000 0.00000 0.00052 -0.00000 0.00271 194 13D 0 -0.00000 -0.00000 -0.00001 -0.00000 -0.00074 195 13D+1 0.00005 0.00000 -0.00000 0.00000 0.00000 196 13D-1 0.00000 0.00006 -0.00000 -0.00000 -0.00000 197 13D+2 -0.00000 0.00000 0.00002 -0.00000 0.00004 198 13D-2 0.00000 -0.00000 0.00000 0.00003 0.00000 199 14D 0 -0.00000 0.00000 0.00009 -0.00000 -0.00091 200 14D+1 0.00003 0.00000 -0.00000 -0.00000 0.00000 201 14D-1 0.00000 0.00001 0.00000 -0.00000 -0.00000 202 14D+2 -0.00000 0.00000 0.00004 -0.00000 -0.00002 203 14D-2 -0.00000 -0.00000 -0.00000 0.00012 0.00000 204 9 Br 1S -0.00000 0.00000 0.00000 -0.00000 -0.00002 205 2S -0.00000 0.00000 0.00001 -0.00000 -0.00006 206 3S 0.00000 -0.00000 -0.00001 0.00000 0.00014 207 4S 0.00000 -0.00000 -0.00002 0.00000 0.00018 208 5S -0.00000 0.00000 0.00004 -0.00000 -0.00037 209 6S -0.00000 0.00000 0.00005 -0.00000 -0.00045 210 7S 0.00000 -0.00000 -0.00011 0.00000 0.00116 211 8S 0.00000 -0.00000 -0.00012 0.00000 0.00187 212 9S 0.00000 -0.00000 -0.00050 0.00000 -0.00106 213 9PX -0.00006 -0.00000 -0.00000 -0.00000 -0.00000 214 9PY -0.00000 -0.00001 0.00000 0.00000 0.00000 215 9PZ -0.00000 0.00000 0.00017 -0.00000 0.00042 216 10PX 0.00000 0.00000 -0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 218 10PZ -0.00000 0.00000 0.00000 -0.00000 -0.00003 219 11PX 0.00000 0.00000 -0.00000 0.00000 0.00000 220 11PY 0.00000 0.00002 0.00000 -0.00000 -0.00000 221 11PZ -0.00000 0.00000 0.00003 -0.00000 -0.00028 222 12PX -0.00001 -0.00000 0.00000 -0.00000 -0.00000 223 12PY -0.00000 -0.00005 -0.00000 0.00000 0.00000 224 12PZ 0.00000 -0.00000 -0.00006 0.00000 0.00068 225 13PX -0.00001 -0.00000 0.00000 -0.00000 -0.00000 226 13PY -0.00000 -0.00002 -0.00000 0.00000 0.00000 227 13PZ 0.00000 -0.00000 -0.00003 0.00000 0.00020 228 14PX 0.00002 0.00000 -0.00000 0.00000 0.00000 229 14PY 0.00000 0.00004 0.00000 -0.00000 -0.00000 230 14PZ -0.00000 0.00000 0.00006 -0.00000 -0.00048 231 15PX 0.00002 0.00000 -0.00000 0.00000 0.00000 232 15PY 0.00000 0.00010 0.00000 -0.00000 -0.00000 233 15PZ -0.00000 0.00000 0.00013 -0.00000 -0.00150 234 16PX 0.00004 0.00000 -0.00000 0.00000 0.00000 235 16PY 0.00000 0.00006 0.00000 -0.00000 -0.00000 236 16PZ -0.00000 0.00000 0.00015 -0.00000 -0.00157 237 17D 0 0.00000 -0.00000 -0.00003 0.00000 -0.00005 238 17D+1 0.00002 0.00000 -0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00011 -0.00000 -0.00000 -0.00000 240 17D+2 -0.00000 -0.00000 0.00001 -0.00000 -0.00049 241 17D-2 0.00000 -0.00000 0.00000 -0.00001 -0.00000 242 18D 0 0.00000 -0.00000 -0.00001 0.00000 -0.00000 243 18D+1 0.00001 0.00000 -0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00004 -0.00000 -0.00000 -0.00000 245 18D+2 -0.00000 -0.00000 0.00000 0.00000 -0.00017 246 18D-2 0.00000 -0.00000 0.00000 -0.00001 -0.00000 247 19D 0 -0.00000 0.00000 0.00000 -0.00000 -0.00003 248 19D+1 0.00000 0.00000 -0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00000 0.00000 -0.00000 -0.00000 250 19D+2 -0.00000 0.00000 0.00000 -0.00000 -0.00003 251 19D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 252 20D 0 -0.00000 0.00000 0.00001 -0.00000 0.00021 253 20D+1 0.00000 0.00000 -0.00000 0.00000 -0.00000 254 20D-1 0.00000 0.00000 0.00000 0.00000 0.00000 255 20D+2 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 256 20D-2 0.00000 0.00000 -0.00000 -0.00001 -0.00000 257 10 H 1S 0.00000 -0.00010 -0.00043 0.00000 -0.00054 258 2S 0.00000 0.00003 -0.00059 0.00000 -0.00155 259 3S 0.00000 0.00065 -0.00103 0.00000 -0.00069 260 4PX 0.00003 -0.00000 0.00000 0.00024 -0.00000 261 4PY -0.00000 0.00003 0.00001 0.00000 0.00014 262 4PZ 0.00000 -0.00001 -0.00008 -0.00000 -0.00015 263 11 H 1S 0.00000 -0.00217 -0.00102 0.00000 -0.00354 264 2S 0.00000 -0.00347 -0.00143 0.00000 -0.00521 265 3S -0.00000 -0.00277 -0.00039 0.00000 -0.00202 266 4PX 0.00015 0.00000 -0.00000 0.00024 -0.00000 267 4PY -0.00000 -0.00002 0.00023 -0.00000 0.00049 268 4PZ -0.00000 -0.00018 0.00003 -0.00000 -0.00007 269 12 H 1S -0.00000 0.00000 0.00125 -0.00000 0.00028 270 2S -0.00000 0.00000 0.00227 -0.00000 0.00040 271 3S -0.00000 0.00000 0.00221 -0.00000 0.00206 272 4PX 0.00021 0.00000 -0.00000 0.00000 0.00000 273 4PY 0.00000 0.00033 -0.00000 -0.00000 -0.00000 274 4PZ -0.00000 0.00000 -0.00002 -0.00000 -0.00019 275 13 H 1S 0.00000 0.00217 -0.00102 -0.00000 -0.00354 276 2S 0.00000 0.00347 -0.00143 -0.00000 -0.00521 277 3S 0.00000 0.00277 -0.00039 -0.00000 -0.00202 278 4PX 0.00015 0.00000 -0.00000 -0.00024 0.00000 279 4PY 0.00000 -0.00002 -0.00023 0.00000 -0.00049 280 4PZ -0.00000 0.00018 0.00003 0.00000 -0.00007 51 52 53 54 55 51 7D+1 0.00023 52 7D-1 0.00000 0.00076 53 7D+2 -0.00000 0.00000 0.00077 54 7D-2 -0.00000 -0.00000 -0.00000 0.00215 55 3 C 1S -0.00000 -0.00563 0.00423 0.00000 0.65856 56 2S -0.00000 -0.00574 0.00455 0.00000 0.56027 57 2PX 0.00246 -0.00000 -0.00000 0.00872 0.00000 58 2PY 0.00000 -0.00398 -0.00209 0.00000 0.00056 59 2PZ -0.00000 0.00315 0.00366 -0.00000 -0.00055 60 3S 0.00000 0.00626 -0.00584 -0.00000 -0.07877 61 3PX 0.00384 -0.00000 -0.00000 0.01332 0.00000 62 3PY 0.00000 -0.00548 -0.00269 0.00000 0.00072 63 3PZ -0.00000 0.00445 0.00501 -0.00000 -0.00084 64 4S 0.00000 0.00224 -0.00189 -0.00000 -0.05804 65 4PX 0.00268 -0.00000 -0.00000 0.01134 0.00000 66 4PY 0.00000 -0.00283 -0.00204 0.00000 0.00280 67 4PZ -0.00000 0.00206 0.00310 -0.00000 -0.00262 68 5S 0.00000 0.00200 -0.00792 -0.00000 -0.05335 69 5PX 0.00018 -0.00000 0.00000 0.00223 0.00000 70 5PY 0.00000 -0.00076 -0.00043 0.00000 0.00007 71 5PZ 0.00000 -0.00075 -0.00177 -0.00000 -0.00212 72 6D 0 -0.00000 0.00035 0.00020 -0.00000 -0.00076 73 6D+1 0.00003 -0.00000 -0.00000 0.00041 -0.00000 74 6D-1 0.00000 0.00029 0.00013 0.00000 -0.00036 75 6D+2 -0.00000 0.00004 0.00023 -0.00000 0.00089 76 6D-2 -0.00014 -0.00000 -0.00000 -0.00004 0.00000 77 7D 0 -0.00000 0.00024 0.00041 -0.00000 -0.00005 78 7D+1 -0.00001 -0.00000 -0.00000 0.00099 0.00000 79 7D-1 -0.00000 0.00021 0.00036 -0.00000 0.00018 80 7D+2 0.00000 0.00017 0.00001 -0.00000 -0.00013 81 7D-2 -0.00025 -0.00000 -0.00000 0.00041 -0.00000 82 4 C 1S 0.00000 -0.00353 -0.00197 0.00000 0.00531 83 2S 0.00000 -0.00368 -0.00227 0.00000 0.00827 84 2PX 0.00175 -0.00000 0.00000 0.00870 -0.00000 85 2PY 0.00000 -0.00007 0.00098 0.00000 0.00022 86 2PZ 0.00000 -0.00385 -0.00154 -0.00000 0.01953 87 3S -0.00000 0.00435 0.00385 -0.00000 -0.02002 88 3PX 0.00274 -0.00000 -0.00000 0.01324 -0.00000 89 3PY 0.00000 -0.00018 0.00132 0.00000 -0.00010 90 3PZ 0.00000 -0.00552 -0.00219 -0.00000 0.03122 91 4S -0.00000 0.00194 0.00093 -0.00000 -0.00156 92 4PX 0.00185 -0.00000 -0.00000 0.01152 -0.00000 93 4PY 0.00000 0.00019 0.00100 0.00000 -0.00774 94 4PZ -0.00000 -0.00291 -0.00028 -0.00000 0.01390 95 5S -0.00000 -0.00144 0.00512 0.00000 0.05914 96 5PX 0.00030 -0.00000 0.00000 0.00256 0.00000 97 5PY -0.00000 0.00060 0.00091 -0.00000 -0.00618 98 5PZ 0.00000 -0.00030 -0.00253 -0.00000 -0.00897 99 6D 0 0.00000 0.00031 0.00005 -0.00000 -0.00231 100 6D+1 -0.00009 0.00000 0.00000 -0.00041 0.00000 101 6D-1 -0.00000 0.00018 0.00022 -0.00000 -0.00004 102 6D+2 0.00000 0.00006 -0.00002 0.00000 -0.00042 103 6D-2 -0.00007 -0.00000 -0.00000 -0.00001 0.00000 104 7D 0 0.00000 0.00012 -0.00052 0.00000 -0.00716 105 7D+1 -0.00022 0.00000 0.00000 -0.00097 0.00000 106 7D-1 -0.00000 0.00037 0.00077 -0.00000 0.00117 107 7D+2 0.00000 0.00015 -0.00007 0.00000 -0.00156 108 7D-2 -0.00011 -0.00000 -0.00000 0.00047 0.00000 109 5 C 1S -0.00000 0.00000 0.00302 -0.00000 -0.00084 110 2S -0.00000 0.00000 0.00378 -0.00000 -0.00127 111 2PX 0.00131 -0.00000 0.00000 0.00000 0.00000 112 2PY -0.00000 -0.00177 0.00000 0.00000 0.00255 113 2PZ 0.00000 -0.00000 -0.00175 0.00000 -0.00416 114 3S 0.00000 -0.00000 -0.00720 0.00000 0.00374 115 3PX 0.00206 0.00000 0.00000 0.00000 0.00000 116 3PY 0.00000 -0.00233 -0.00000 0.00000 0.00255 117 3PZ 0.00000 -0.00000 -0.00270 0.00000 -0.00500 118 4S 0.00000 -0.00000 -0.00536 0.00000 -0.00828 119 4PX 0.00128 0.00000 0.00000 0.00000 -0.00000 120 4PY 0.00000 -0.00119 -0.00000 0.00000 -0.00176 121 4PZ 0.00000 -0.00000 -0.00254 0.00000 0.00076 122 5S -0.00000 0.00000 0.00621 -0.00000 -0.03687 123 5PX -0.00080 0.00000 -0.00000 -0.00000 -0.00000 124 5PY 0.00000 0.00135 0.00000 -0.00000 -0.01046 125 5PZ -0.00000 0.00000 0.00186 -0.00000 0.00308 126 6D 0 -0.00000 0.00000 0.00006 -0.00000 -0.00031 127 6D+1 -0.00011 -0.00000 0.00000 -0.00000 0.00000 128 6D-1 -0.00000 -0.00003 0.00000 -0.00000 0.00019 129 6D+2 -0.00000 0.00000 0.00007 -0.00000 -0.00023 130 6D-2 -0.00000 -0.00000 -0.00000 0.00062 0.00000 131 7D 0 0.00000 0.00000 -0.00035 -0.00000 -0.00247 132 7D+1 -0.00017 -0.00000 0.00000 -0.00000 0.00000 133 7D-1 -0.00000 -0.00041 -0.00000 -0.00000 0.00252 134 7D+2 0.00000 -0.00000 -0.00031 0.00000 -0.00213 135 7D-2 -0.00000 -0.00000 0.00000 0.00209 -0.00000 136 6 C 1S 0.00000 0.00353 -0.00197 -0.00000 -0.00119 137 2S 0.00000 0.00368 -0.00227 -0.00000 -0.00169 138 2PX 0.00175 0.00000 -0.00000 -0.00870 0.00000 139 2PY 0.00000 -0.00007 -0.00098 -0.00000 0.00207 140 2PZ 0.00000 0.00385 -0.00154 0.00000 -0.00096 141 3S -0.00000 -0.00435 0.00385 -0.00000 0.00323 142 3PX 0.00274 0.00000 -0.00000 -0.01324 0.00000 143 3PY 0.00000 -0.00018 -0.00132 -0.00000 0.00249 144 3PZ 0.00000 0.00552 -0.00219 0.00000 -0.00068 145 4S -0.00000 -0.00194 0.00093 0.00000 -0.00096 146 4PX 0.00185 0.00000 -0.00000 -0.01152 0.00000 147 4PY 0.00000 0.00019 -0.00100 -0.00000 0.00517 148 4PZ 0.00000 0.00291 -0.00028 0.00000 -0.00045 149 5S -0.00000 0.00144 0.00512 0.00000 0.05705 150 5PX 0.00030 0.00000 0.00000 -0.00256 0.00000 151 5PY 0.00000 0.00060 -0.00091 -0.00000 0.00325 152 5PZ 0.00000 0.00030 -0.00253 0.00000 -0.01430 153 6D 0 -0.00000 -0.00031 0.00005 -0.00000 -0.00008 154 6D+1 -0.00009 -0.00000 -0.00000 0.00041 0.00000 155 6D-1 0.00000 0.00018 -0.00022 0.00000 -0.00012 156 6D+2 0.00000 -0.00006 -0.00002 -0.00000 -0.00009 157 6D-2 0.00007 0.00000 0.00000 -0.00001 0.00000 158 7D 0 0.00000 -0.00012 -0.00052 -0.00000 -0.00178 159 7D+1 -0.00022 -0.00000 0.00000 0.00097 0.00000 160 7D-1 0.00000 0.00037 -0.00077 0.00000 -0.00153 161 7D+2 0.00000 -0.00015 -0.00007 -0.00000 -0.00027 162 7D-2 0.00011 -0.00000 0.00000 0.00047 0.00000 163 7 H 1S -0.00000 0.00039 0.00118 0.00000 -0.00035 164 2S -0.00000 0.00045 0.00143 0.00000 0.00011 165 3S -0.00000 0.00021 0.00058 0.00000 0.00239 166 4PX 0.00013 0.00000 0.00000 -0.00077 -0.00000 167 4PY 0.00000 0.00004 0.00010 -0.00000 -0.00005 168 4PZ 0.00000 0.00015 -0.00015 0.00000 0.00011 169 8 Mg 1S -0.00000 0.00000 0.00039 -0.00000 -0.00026 170 2S -0.00000 0.00000 0.00104 -0.00000 -0.00070 171 3S 0.00000 -0.00000 -0.00208 0.00000 0.00181 172 4S 0.00000 -0.00000 -0.00129 0.00000 0.00265 173 5S 0.00000 -0.00000 -0.00423 0.00000 -0.00783 174 6S 0.00000 -0.00000 -0.00220 0.00000 0.00866 175 7S -0.00000 0.00000 0.00018 -0.00000 0.00071 176 7PX -0.00001 0.00000 0.00000 -0.00000 0.00000 177 7PY 0.00000 0.00001 -0.00000 -0.00000 0.00009 178 7PZ 0.00000 -0.00000 -0.00030 0.00000 -0.00025 179 8PX -0.00003 0.00000 0.00000 -0.00000 0.00000 180 8PY 0.00000 0.00016 -0.00000 -0.00000 -0.00024 181 8PZ 0.00000 -0.00000 -0.00091 0.00000 -0.00087 182 9PX -0.00005 0.00000 0.00000 -0.00000 0.00000 183 9PY 0.00000 0.00022 -0.00000 -0.00000 -0.00022 184 9PZ 0.00000 -0.00000 -0.00124 0.00000 -0.00130 185 10PX 0.00011 0.00000 -0.00000 0.00000 -0.00000 186 10PY 0.00000 -0.00013 0.00000 0.00000 -0.00019 187 10PZ -0.00000 0.00000 0.00115 -0.00000 0.00243 188 11PX 0.00011 -0.00000 -0.00000 0.00000 0.00000 189 11PY -0.00000 -0.00020 0.00000 0.00000 0.00162 190 11PZ -0.00000 0.00000 0.00040 -0.00000 0.00057 191 12PX 0.00036 0.00000 -0.00000 0.00000 -0.00000 192 12PY 0.00000 -0.00026 0.00000 0.00000 0.00182 193 12PZ -0.00000 0.00000 0.00289 -0.00000 0.00511 194 13D 0 0.00000 -0.00000 -0.00054 0.00000 -0.00029 195 13D+1 -0.00008 0.00000 0.00000 -0.00000 0.00000 196 13D-1 0.00000 0.00018 -0.00000 -0.00000 0.00004 197 13D+2 0.00000 -0.00000 0.00000 -0.00000 -0.00001 198 13D-2 -0.00000 -0.00000 0.00000 0.00011 0.00000 199 14D 0 0.00000 -0.00000 -0.00073 0.00000 -0.00132 200 14D+1 -0.00022 0.00000 0.00000 -0.00000 0.00000 201 14D-1 0.00000 0.00022 -0.00000 -0.00000 -0.00117 202 14D+2 0.00000 -0.00000 -0.00005 -0.00000 -0.00011 203 14D-2 -0.00000 -0.00000 0.00000 0.00037 0.00000 204 9 Br 1S 0.00000 -0.00000 0.00000 0.00000 -0.00001 205 2S 0.00000 -0.00000 0.00001 0.00000 -0.00003 206 3S -0.00000 0.00000 -0.00004 -0.00000 0.00009 207 4S -0.00000 0.00000 -0.00004 -0.00000 0.00012 208 5S 0.00000 -0.00000 0.00005 0.00000 -0.00025 209 6S 0.00000 -0.00000 0.00001 0.00000 -0.00024 210 7S -0.00000 0.00000 0.00061 -0.00000 0.00038 211 8S -0.00000 0.00000 0.00132 -0.00000 0.00161 212 9S 0.00000 -0.00000 -0.00170 0.00000 -0.00739 213 9PX -0.00012 -0.00000 -0.00000 -0.00000 -0.00000 214 9PY -0.00000 0.00011 0.00000 -0.00000 -0.00051 215 9PZ -0.00000 0.00000 0.00062 -0.00000 0.00246 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00002 -0.00000 -0.00000 -0.00001 218 10PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00003 219 11PX 0.00002 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00020 -0.00000 -0.00000 -0.00005 221 11PZ 0.00000 -0.00000 -0.00003 0.00000 -0.00028 222 12PX -0.00004 -0.00000 0.00000 -0.00000 -0.00000 223 12PY -0.00000 -0.00052 0.00000 0.00000 0.00014 224 12PZ -0.00000 0.00000 -0.00001 -0.00000 0.00074 225 13PX -0.00002 -0.00000 0.00000 -0.00000 -0.00000 226 13PY -0.00000 -0.00019 0.00000 0.00000 0.00003 227 13PZ -0.00000 0.00000 -0.00004 -0.00000 0.00021 228 14PX 0.00004 0.00000 -0.00000 0.00000 0.00000 229 14PY 0.00000 0.00042 -0.00000 -0.00000 -0.00007 230 14PZ 0.00000 -0.00000 0.00005 0.00000 -0.00049 231 15PX 0.00006 0.00000 0.00000 0.00000 0.00000 232 15PY 0.00000 0.00097 -0.00000 -0.00000 -0.00032 233 15PZ 0.00000 -0.00000 -0.00017 0.00000 -0.00170 234 16PX 0.00015 0.00000 0.00000 0.00000 0.00000 235 16PY 0.00000 0.00061 -0.00000 -0.00000 0.00013 236 16PZ 0.00000 -0.00000 -0.00060 0.00000 -0.00128 237 17D 0 0.00000 -0.00000 0.00001 0.00000 0.00003 238 17D+1 -0.00009 0.00000 0.00000 -0.00000 -0.00000 239 17D-1 0.00000 0.00035 -0.00000 -0.00000 0.00000 240 17D+2 0.00000 -0.00000 -0.00044 0.00000 0.00000 241 17D-2 -0.00000 -0.00000 -0.00000 0.00003 -0.00000 242 18D 0 0.00000 -0.00000 0.00002 0.00000 0.00002 243 18D+1 -0.00004 0.00000 0.00000 -0.00000 -0.00000 244 18D-1 0.00000 0.00012 -0.00000 -0.00000 -0.00001 245 18D+2 0.00000 -0.00000 -0.00015 0.00000 -0.00001 246 18D-2 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 247 19D 0 0.00000 -0.00000 -0.00005 0.00000 -0.00004 248 19D+1 0.00001 0.00000 0.00000 -0.00000 0.00000 249 19D-1 0.00000 0.00001 -0.00000 -0.00000 0.00003 250 19D+2 0.00000 -0.00000 -0.00003 0.00000 0.00001 251 19D-2 -0.00000 -0.00000 0.00000 0.00002 0.00000 252 20D 0 -0.00000 0.00000 0.00010 -0.00000 0.00001 253 20D+1 -0.00004 -0.00000 -0.00000 -0.00000 -0.00000 254 20D-1 -0.00000 -0.00003 0.00000 0.00000 -0.00006 255 20D+2 0.00000 0.00000 -0.00001 0.00000 -0.00001 256 20D-2 -0.00000 0.00000 -0.00000 -0.00002 0.00000 257 10 H 1S -0.00000 -0.00039 0.00118 0.00000 0.00405 258 2S -0.00000 -0.00045 0.00143 0.00000 0.00708 259 3S -0.00000 -0.00021 0.00058 0.00000 0.00845 260 4PX 0.00013 -0.00000 -0.00000 0.00077 -0.00000 261 4PY 0.00000 0.00004 -0.00010 0.00000 -0.00050 262 4PZ 0.00000 -0.00015 -0.00015 -0.00000 0.00120 263 11 H 1S 0.00000 -0.00318 -0.00438 0.00000 -0.02022 264 2S 0.00000 -0.00490 -0.00632 0.00000 -0.03213 265 3S 0.00000 -0.00295 -0.00172 0.00000 0.00213 266 4PX 0.00019 -0.00000 0.00000 0.00078 0.00000 267 4PY -0.00000 0.00021 0.00061 0.00000 0.00553 268 4PZ 0.00000 -0.00010 -0.00025 -0.00000 -0.00320 269 12 H 1S -0.00000 0.00000 0.00116 -0.00000 0.00385 270 2S -0.00000 0.00000 0.00182 -0.00000 0.00669 271 3S -0.00000 0.00000 0.00152 -0.00000 0.00641 272 4PX 0.00023 0.00000 -0.00000 0.00000 -0.00000 273 4PY 0.00000 0.00015 -0.00000 -0.00000 -0.00141 274 4PZ -0.00000 -0.00000 0.00006 0.00000 -0.00006 275 13 H 1S 0.00000 0.00318 -0.00438 -0.00000 -0.00249 276 2S 0.00000 0.00490 -0.00632 -0.00000 -0.00478 277 3S 0.00000 0.00295 -0.00172 -0.00000 -0.00330 278 4PX 0.00019 0.00000 -0.00000 -0.00078 -0.00000 279 4PY 0.00000 0.00021 -0.00061 -0.00000 -0.00039 280 4PZ 0.00000 0.00010 -0.00025 0.00000 0.00013 56 57 58 59 60 56 2S 0.48968 57 2PX 0.00000 0.06717 58 2PY 0.00097 0.00000 0.09074 59 2PZ -0.00092 -0.00000 0.00132 0.09231 60 3S -0.14150 -0.00000 -0.00523 0.00387 0.43546 61 3PX 0.00000 0.10331 0.00000 -0.00000 -0.00000 62 3PY 0.00259 0.00000 0.12454 0.00339 -0.01456 63 3PZ -0.00203 -0.00000 0.00337 0.12867 0.00933 64 4S -0.08343 0.00000 0.00528 -0.00500 0.20102 65 4PX 0.00000 0.08250 0.00000 -0.00000 0.00000 66 4PY -0.00003 0.00000 0.06431 -0.00070 0.01189 67 4PZ -0.00079 -0.00000 -0.00048 0.06352 -0.00735 68 5S -0.07369 -0.00000 0.00609 0.03486 0.16904 69 5PX 0.00000 0.01410 0.00000 -0.00000 -0.00000 70 5PY 0.00042 0.00000 -0.00461 -0.01161 -0.00222 71 5PZ -0.00296 -0.00000 -0.00947 0.00097 0.00683 72 6D 0 -0.00163 -0.00000 0.00036 0.00632 0.00574 73 6D+1 -0.00000 0.00121 -0.00000 -0.00000 0.00000 74 6D-1 -0.00057 0.00000 -0.00633 -0.00088 0.00165 75 6D+2 0.00214 -0.00000 0.00078 0.00338 -0.00798 76 6D-2 0.00000 -0.00212 0.00000 -0.00000 -0.00000 77 7D 0 -0.00040 -0.00000 0.00008 0.00225 0.00193 78 7D+1 0.00000 0.00141 -0.00000 -0.00000 0.00000 79 7D-1 -0.00061 0.00000 -0.00225 -0.00164 0.00430 80 7D+2 -0.00040 -0.00000 0.00115 0.00086 0.00180 81 7D-2 0.00000 -0.00245 0.00000 0.00000 -0.00000 82 4 C 1S 0.00827 0.00000 0.00029 -0.01930 -0.01980 83 2S 0.01269 0.00000 0.00045 -0.03103 -0.03055 84 2PX -0.00000 0.04398 0.00000 0.00000 0.00000 85 2PY 0.00040 0.00000 0.00382 0.00064 -0.00202 86 2PZ 0.03142 0.00000 -0.00106 -0.07020 -0.08933 87 3S -0.03077 -0.00000 -0.00169 0.08838 0.07634 88 3PX -0.00000 0.06759 0.00000 0.00000 0.00000 89 3PY 0.00011 0.00000 0.00586 0.00133 -0.00206 90 3PZ 0.04707 0.00000 -0.00064 -0.09899 -0.12422 91 4S -0.00690 -0.00000 0.00096 0.03262 0.02980 92 4PX -0.00000 0.05322 0.00000 0.00000 0.00000 93 4PY -0.00670 0.00000 -0.00274 0.00858 0.00108 94 4PZ 0.02217 -0.00000 -0.00038 -0.05187 -0.06284 95 5S 0.07921 0.00000 -0.05316 -0.06952 -0.17312 96 5PX 0.00000 0.00841 0.00000 0.00000 -0.00000 97 5PY -0.00759 0.00000 0.01753 0.01684 0.01384 98 5PZ -0.01154 -0.00000 -0.01756 -0.00900 0.02329 99 6D 0 -0.00355 -0.00000 -0.00002 0.00600 0.00944 100 6D+1 0.00000 -0.00327 -0.00000 -0.00000 -0.00000 101 6D-1 -0.00001 -0.00000 -0.00350 0.00007 0.00001 102 6D+2 -0.00068 0.00000 0.00007 0.00122 0.00206 103 6D-2 0.00000 -0.00013 0.00000 -0.00000 -0.00000 104 7D 0 -0.00759 0.00000 0.00046 0.00309 0.00943 105 7D+1 0.00000 -0.00861 -0.00000 0.00000 -0.00000 106 7D-1 0.00093 -0.00000 -0.00942 -0.00176 0.00052 107 7D+2 -0.00122 0.00000 -0.00064 0.00310 -0.00037 108 7D-2 0.00000 0.00261 0.00000 -0.00000 -0.00000 109 5 C 1S -0.00128 -0.00000 -0.00172 0.00341 0.00366 110 2S -0.00205 -0.00000 -0.00268 0.00534 0.00640 111 2PX 0.00000 -0.00312 0.00000 -0.00000 -0.00000 112 2PY 0.00404 0.00000 0.00345 -0.00751 -0.01241 113 2PZ -0.00665 -0.00000 -0.00085 0.01138 0.01859 114 3S 0.00646 0.00000 0.00707 -0.01686 -0.02161 115 3PX 0.00000 -0.00408 0.00000 -0.00000 -0.00000 116 3PY 0.00477 0.00000 0.00354 -0.01038 -0.01705 117 3PZ -0.00896 -0.00000 -0.00138 0.01581 0.02797 118 4S -0.00849 -0.00000 0.00465 0.01296 0.00799 119 4PX 0.00000 -0.00822 0.00000 -0.00000 -0.00000 120 4PY -0.00111 0.00000 0.00547 -0.00283 -0.00295 121 4PZ -0.00318 -0.00000 -0.00366 0.01051 0.02163 122 5S -0.04739 0.00000 0.04265 0.01137 0.09618 123 5PX -0.00000 -0.00727 0.00000 0.00000 0.00000 124 5PY -0.01324 -0.00000 0.02880 0.03769 0.02649 125 5PZ 0.00482 -0.00000 -0.00731 0.01575 -0.01369 126 6D 0 -0.00050 -0.00000 -0.00008 0.00146 0.00142 127 6D+1 0.00000 -0.00050 -0.00000 -0.00000 -0.00000 128 6D-1 0.00026 -0.00000 0.00026 -0.00083 -0.00051 129 6D+2 -0.00051 -0.00000 -0.00000 0.00144 0.00193 130 6D-2 0.00000 0.00250 0.00000 -0.00000 -0.00000 131 7D 0 -0.00282 -0.00000 0.00072 0.00546 0.00446 132 7D+1 0.00000 -0.00180 -0.00000 -0.00000 -0.00000 133 7D-1 0.00282 -0.00000 0.00036 -0.00371 -0.00423 134 7D+2 -0.00223 -0.00000 0.00116 0.00208 0.00272 135 7D-2 -0.00000 0.00846 0.00000 -0.00000 0.00000 136 6 C 1S -0.00169 -0.00000 -0.00196 0.00144 0.00303 137 2S -0.00267 -0.00000 -0.00305 0.00230 0.00628 138 2PX 0.00000 -0.02657 -0.00000 0.00000 -0.00000 139 2PY 0.00329 -0.00000 0.00165 -0.00522 -0.00937 140 2PZ -0.00151 0.00000 -0.00510 -0.00442 0.00459 141 3S 0.00659 0.00000 0.00876 -0.00693 -0.02169 142 3PX 0.00000 -0.03975 -0.00000 0.00000 -0.00000 143 3PY 0.00465 -0.00000 0.00378 -0.00806 -0.01529 144 3PZ -0.00169 0.00000 -0.00762 -0.00517 0.00721 145 4S 0.00027 0.00000 0.00734 -0.00964 -0.00600 146 4PX 0.00000 -0.04017 -0.00000 0.00000 -0.00000 147 4PY 0.00596 -0.00000 0.00212 -0.00919 -0.00997 148 4PZ -0.00083 0.00000 -0.00770 -0.00388 0.00311 149 5S 0.07337 -0.00000 0.03456 0.04361 -0.15203 150 5PX 0.00000 -0.01232 -0.00000 0.00000 -0.00000 151 5PY 0.00338 -0.00000 0.00192 0.01647 -0.00414 152 5PZ -0.01932 -0.00000 0.00425 0.01661 0.04384 153 6D 0 -0.00010 -0.00000 0.00031 0.00061 0.00018 154 6D+1 0.00000 0.00008 -0.00000 -0.00000 -0.00000 155 6D-1 -0.00016 0.00000 -0.00026 -0.00022 0.00040 156 6D+2 -0.00016 -0.00000 0.00004 0.00047 0.00047 157 6D-2 0.00000 0.00001 0.00000 -0.00000 -0.00000 158 7D 0 -0.00194 -0.00000 0.00102 0.00263 0.00270 159 7D+1 0.00000 -0.00075 -0.00000 -0.00000 0.00000 160 7D-1 -0.00170 -0.00000 -0.00008 -0.00004 0.00263 161 7D+2 -0.00019 0.00000 0.00167 0.00090 -0.00022 162 7D-2 0.00000 0.00118 0.00000 -0.00000 -0.00000 163 7 H 1S -0.00049 -0.00000 -0.00073 -0.00022 0.00162 164 2S 0.00035 0.00000 0.00197 -0.00170 -0.00084 165 3S 0.00263 0.00000 0.00112 -0.00462 -0.00380 166 4PX -0.00000 -0.00265 -0.00000 0.00000 -0.00000 167 4PY 0.00005 -0.00000 0.00029 -0.00037 -0.00041 168 4PZ 0.00004 0.00000 -0.00046 -0.00021 0.00026 169 8 Mg 1S -0.00041 -0.00000 -0.00005 0.00097 0.00117 170 2S -0.00113 -0.00000 -0.00013 0.00264 0.00320 171 3S 0.00297 0.00000 0.00034 -0.00698 -0.00850 172 4S 0.00423 0.00000 0.00025 -0.00986 -0.01193 173 5S -0.01175 -0.00000 -0.00035 0.02726 0.03139 174 6S 0.00942 0.00000 0.00698 -0.00767 -0.01159 175 7S 0.00081 0.00000 -0.00049 -0.00054 -0.00125 176 7PX 0.00000 0.00021 -0.00000 -0.00000 -0.00000 177 7PY 0.00011 0.00000 -0.00002 0.00000 -0.00016 178 7PZ -0.00035 -0.00000 0.00059 0.00023 0.00079 179 8PX 0.00000 0.00084 0.00000 -0.00000 -0.00000 180 8PY -0.00036 -0.00000 -0.00016 0.00096 0.00092 181 8PZ -0.00145 -0.00000 0.00007 0.00281 0.00449 182 9PX 0.00000 0.00117 0.00000 -0.00000 -0.00000 183 9PY -0.00040 -0.00000 -0.00024 0.00129 0.00121 184 9PZ -0.00206 -0.00000 0.00012 0.00375 0.00606 185 10PX -0.00000 -0.00168 -0.00000 0.00000 0.00000 186 10PY 0.00002 0.00000 0.00067 -0.00123 -0.00116 187 10PZ 0.00344 0.00000 -0.00023 -0.00539 -0.00770 188 11PX 0.00000 -0.00331 -0.00000 0.00000 0.00000 189 11PY 0.00186 0.00000 -0.00072 -0.00314 -0.00309 190 11PZ 0.00094 0.00000 -0.00152 -0.00536 -0.00302 191 12PX -0.00000 0.00220 -0.00000 -0.00000 0.00000 192 12PY 0.00201 0.00000 -0.00137 -0.00376 -0.00284 193 12PZ 0.00621 -0.00000 0.00273 0.00237 -0.01143 194 13D 0 -0.00048 -0.00000 0.00040 0.00017 0.00149 195 13D+1 0.00000 0.00096 0.00000 -0.00000 -0.00000 196 13D-1 -0.00014 -0.00000 -0.00038 0.00091 0.00107 197 13D+2 -0.00006 -0.00000 0.00012 0.00033 0.00029 198 13D-2 0.00000 0.00045 0.00000 -0.00000 -0.00000 199 14D 0 -0.00174 -0.00000 0.00153 0.00193 0.00394 200 14D+1 0.00000 0.00063 -0.00000 -0.00000 -0.00000 201 14D-1 -0.00126 -0.00000 0.00023 0.00162 0.00168 202 14D+2 -0.00018 -0.00000 0.00003 0.00071 0.00051 203 14D-2 0.00000 0.00150 -0.00000 -0.00000 -0.00000 204 9 Br 1S -0.00002 -0.00000 -0.00000 0.00005 0.00001 205 2S -0.00005 -0.00000 -0.00001 0.00016 0.00003 206 3S 0.00014 0.00000 0.00002 -0.00042 -0.00009 207 4S 0.00018 0.00000 0.00002 -0.00053 -0.00015 208 5S -0.00038 -0.00000 -0.00004 0.00108 0.00037 209 6S -0.00038 -0.00000 -0.00009 0.00132 0.00025 210 7S 0.00060 0.00000 0.00025 -0.00264 -0.00020 211 8S 0.00236 0.00000 -0.00067 -0.00384 -0.00527 212 9S -0.00860 -0.00000 -0.00481 0.00070 0.01396 213 9PX -0.00000 -0.00096 -0.00000 0.00000 0.00000 214 9PY -0.00056 -0.00000 0.00025 0.00089 0.00080 215 9PZ 0.00285 0.00000 0.00140 -0.00001 -0.00459 216 10PX 0.00000 0.00001 0.00000 -0.00000 -0.00000 217 10PY -0.00001 -0.00000 -0.00000 0.00002 0.00003 218 10PZ -0.00005 -0.00000 -0.00000 0.00013 0.00010 219 11PX 0.00000 0.00012 0.00000 -0.00000 -0.00000 220 11PY -0.00009 -0.00000 -0.00001 0.00013 0.00027 221 11PZ -0.00045 -0.00000 -0.00003 0.00109 0.00081 222 12PX -0.00000 -0.00028 -0.00000 0.00000 0.00000 223 12PY 0.00024 0.00000 0.00002 -0.00034 -0.00065 224 12PZ 0.00118 0.00000 0.00011 -0.00289 -0.00234 225 13PX -0.00000 -0.00013 -0.00000 0.00000 0.00000 226 13PY 0.00007 0.00000 0.00001 -0.00013 -0.00023 227 13PZ 0.00035 0.00000 0.00006 -0.00102 -0.00068 228 14PX 0.00000 0.00031 0.00000 -0.00000 -0.00000 229 14PY -0.00016 -0.00000 -0.00003 0.00028 0.00053 230 14PZ -0.00081 -0.00000 -0.00012 0.00236 0.00159 231 15PX 0.00000 0.00048 0.00000 -0.00000 -0.00000 232 15PY -0.00051 -0.00000 -0.00004 0.00067 0.00130 233 15PZ -0.00263 -0.00000 -0.00020 0.00599 0.00526 234 16PX 0.00000 0.00071 0.00000 -0.00000 -0.00000 235 16PY 0.00000 0.00000 -0.00007 0.00021 0.00052 236 16PZ -0.00217 -0.00000 0.00026 0.00530 0.00538 237 17D 0 0.00005 0.00000 0.00002 -0.00017 -0.00017 238 17D+1 -0.00000 -0.00008 -0.00000 -0.00000 -0.00000 239 17D-1 0.00002 0.00000 -0.00007 -0.00028 -0.00085 240 17D+2 0.00001 0.00000 -0.00003 0.00003 -0.00003 241 17D-2 -0.00000 -0.00002 0.00000 0.00000 0.00000 242 18D 0 0.00004 0.00000 0.00001 -0.00009 -0.00013 243 18D+1 -0.00000 -0.00003 -0.00000 0.00000 -0.00000 244 18D-1 -0.00001 0.00000 -0.00003 -0.00009 -0.00028 245 18D+2 0.00000 0.00000 -0.00001 -0.00000 -0.00002 246 18D-2 -0.00000 -0.00004 -0.00000 0.00000 0.00000 247 19D 0 -0.00007 -0.00000 -0.00000 0.00017 0.00028 248 19D+1 0.00000 0.00004 0.00000 -0.00000 -0.00000 249 19D-1 0.00003 -0.00000 0.00000 -0.00003 -0.00008 250 19D+2 0.00001 -0.00000 0.00000 0.00002 0.00001 251 19D-2 0.00000 0.00006 0.00000 -0.00000 -0.00000 252 20D 0 0.00005 -0.00000 -0.00005 0.00018 -0.00006 253 20D+1 -0.00000 0.00008 0.00000 -0.00000 0.00000 254 20D-1 -0.00006 0.00000 -0.00001 0.00007 0.00003 255 20D+2 -0.00001 -0.00000 0.00000 -0.00003 -0.00001 256 20D-2 0.00000 -0.00010 -0.00000 -0.00000 0.00000 257 10 H 1S 0.00698 0.00000 -0.00503 -0.01224 -0.02302 258 2S 0.01245 0.00000 -0.00910 -0.02063 -0.04087 259 3S 0.01065 0.00000 -0.01393 -0.02679 -0.02131 260 4PX -0.00000 0.00361 0.00000 -0.00000 0.00000 261 4PY -0.00096 0.00000 0.00011 0.00087 0.00346 262 4PZ 0.00130 -0.00000 -0.00030 -0.00273 -0.00162 263 11 H 1S -0.03169 0.00000 0.06597 -0.03770 0.08306 264 2S -0.04695 0.00000 0.09953 -0.05724 0.11282 265 3S 0.00313 0.00000 0.03879 -0.02288 -0.00924 266 4PX 0.00000 0.00574 -0.00000 -0.00000 -0.00000 267 4PY 0.00741 -0.00000 -0.00614 0.00588 -0.01593 268 4PZ -0.00429 -0.00000 0.00586 0.00075 0.00922 269 12 H 1S 0.00660 -0.00000 0.00784 0.01052 -0.02149 270 2S 0.01157 -0.00000 0.01309 0.01860 -0.03735 271 3S 0.00788 -0.00000 0.01211 0.02098 -0.01503 272 4PX -0.00000 0.00362 0.00000 -0.00000 0.00000 273 4PY -0.00166 0.00000 -0.00230 -0.00157 0.00285 274 4PZ 0.00029 -0.00000 -0.00028 -0.00016 -0.00225 275 13 H 1S -0.00408 -0.00000 -0.00819 -0.00457 0.01220 276 2S -0.00661 0.00000 -0.01317 -0.00871 0.01630 277 3S -0.00479 -0.00000 -0.01577 -0.00843 0.01259 278 4PX -0.00000 -0.00058 0.00000 0.00000 -0.00000 279 4PY -0.00025 0.00000 0.00036 -0.00046 -0.00042 280 4PZ 0.00001 0.00000 -0.00053 -0.00007 0.00062 61 62 63 64 65 61 3PX 0.15892 62 3PY 0.00000 0.17119 63 3PZ -0.00000 0.00678 0.17956 64 4S 0.00000 0.00384 -0.00450 0.10992 65 4PX 0.12677 0.00000 -0.00000 0.00000 0.10231 66 4PY 0.00000 0.08797 0.00022 0.00664 0.00000 67 4PZ -0.00000 0.00064 0.08863 -0.00317 -0.00000 68 5S -0.00000 0.00495 0.05068 0.06753 -0.00000 69 5PX 0.02156 0.00000 -0.00000 0.00000 0.01837 70 5PY 0.00000 -0.00651 -0.01657 -0.00884 0.00000 71 5PZ -0.00000 -0.01328 0.00110 -0.00536 -0.00000 72 6D 0 -0.00000 0.00055 0.00886 0.00225 -0.00000 73 6D+1 0.00188 -0.00000 -0.00000 0.00000 0.00140 74 6D-1 0.00000 -0.00868 -0.00140 0.00031 0.00000 75 6D+2 -0.00000 0.00128 0.00464 -0.00397 -0.00000 76 6D-2 -0.00327 0.00000 -0.00000 -0.00000 -0.00252 77 7D 0 -0.00000 0.00025 0.00326 0.00240 -0.00000 78 7D+1 0.00220 -0.00000 -0.00000 0.00000 0.00152 79 7D-1 0.00000 -0.00304 -0.00234 0.00402 0.00000 80 7D+2 -0.00000 0.00157 0.00128 0.00061 -0.00000 81 7D-2 -0.00380 0.00000 0.00000 -0.00000 -0.00282 82 4 C 1S 0.00000 -0.00020 -0.03141 -0.00644 0.00000 83 2S 0.00000 0.00009 -0.04703 -0.01421 0.00000 84 2PX 0.06793 0.00000 0.00000 0.00000 0.05177 85 2PY 0.00000 0.00595 -0.00058 0.00410 0.00000 86 2PZ 0.00000 -0.00147 -0.09886 -0.03280 -0.00000 87 3S -0.00000 -0.00206 0.12340 0.04894 -0.00000 88 3PX 0.10442 0.00000 0.00000 0.00000 0.07946 89 3PY 0.00000 0.00902 -0.00017 0.00550 0.00000 90 3PZ 0.00000 -0.00094 -0.13928 -0.04563 -0.00000 91 4S -0.00000 0.00154 0.04508 0.01149 -0.00000 92 4PX 0.08215 0.00000 -0.00000 0.00000 0.06312 93 4PY 0.00000 -0.00318 0.01070 0.00309 0.00000 94 4PZ -0.00000 -0.00041 -0.07273 -0.01415 -0.00000 95 5S 0.00000 -0.07036 -0.10287 -0.09855 0.00000 96 5PX 0.01305 0.00000 0.00000 0.00000 0.00951 97 5PY -0.00000 0.02428 0.02460 0.02071 -0.00000 98 5PZ -0.00000 -0.02487 -0.01312 -0.00223 -0.00000 99 6D 0 -0.00000 -0.00012 0.00842 0.00363 -0.00000 100 6D+1 -0.00502 -0.00000 -0.00000 -0.00000 -0.00414 101 6D-1 -0.00000 -0.00472 -0.00003 0.00029 -0.00000 102 6D+2 0.00000 0.00006 0.00173 0.00036 0.00000 103 6D-2 -0.00023 0.00000 -0.00000 -0.00000 0.00009 104 7D 0 0.00000 0.00036 0.00409 0.00093 0.00000 105 7D+1 -0.01318 -0.00000 0.00000 0.00000 -0.01102 106 7D-1 -0.00000 -0.01276 -0.00242 0.00283 -0.00000 107 7D+2 0.00000 -0.00094 0.00418 -0.00167 0.00000 108 7D-2 0.00393 0.00000 -0.00000 -0.00000 0.00390 109 5 C 1S -0.00000 -0.00110 0.00309 0.01031 -0.00000 110 2S -0.00000 -0.00263 0.00635 0.01647 -0.00000 111 2PX -0.00407 0.00000 -0.00000 0.00000 -0.00948 112 2PY 0.00000 0.00358 -0.00990 0.00049 -0.00000 113 2PZ -0.00000 -0.00230 0.01456 -0.00455 0.00000 114 3S 0.00000 0.00976 -0.02498 -0.04546 0.00000 115 3PX -0.00514 0.00000 -0.00000 0.00000 -0.01371 116 3PY 0.00000 0.00326 -0.01368 0.00043 -0.00000 117 3PZ -0.00000 -0.00361 0.02013 -0.00680 0.00000 118 4S -0.00000 0.00586 0.01621 -0.02512 -0.00000 119 4PX -0.01177 0.00000 -0.00000 0.00000 -0.01672 120 4PY -0.00000 0.00632 -0.00282 0.00618 -0.00000 121 4PZ -0.00000 -0.00613 0.01332 -0.00434 0.00000 122 5S 0.00000 0.05978 0.02185 0.16939 -0.00000 123 5PX -0.01137 0.00000 0.00000 0.00000 -0.00747 124 5PY -0.00000 0.03883 0.05468 0.01493 -0.00000 125 5PZ -0.00000 -0.00979 0.02138 0.00859 -0.00000 126 6D 0 -0.00000 -0.00008 0.00204 0.00025 -0.00000 127 6D+1 -0.00081 -0.00000 -0.00000 -0.00000 -0.00030 128 6D-1 -0.00000 0.00049 -0.00126 -0.00064 -0.00000 129 6D+2 -0.00000 -0.00003 0.00201 0.00076 -0.00000 130 6D-2 0.00382 0.00000 -0.00000 0.00000 0.00325 131 7D 0 -0.00000 0.00095 0.00742 -0.00170 -0.00000 132 7D+1 -0.00280 -0.00000 -0.00000 0.00000 -0.00195 133 7D-1 -0.00000 0.00059 -0.00531 -0.00158 -0.00000 134 7D+2 0.00000 0.00156 0.00284 -0.00100 0.00000 135 7D-2 0.01293 0.00000 -0.00000 0.00000 0.01100 136 6 C 1S -0.00000 -0.00173 0.00189 -0.00062 -0.00000 137 2S -0.00000 -0.00380 0.00332 -0.00061 -0.00000 138 2PX -0.03991 -0.00000 0.00000 -0.00000 -0.03999 139 2PY -0.00000 0.00391 -0.00797 -0.01366 -0.00000 140 2PZ 0.00000 -0.00768 -0.00507 0.00140 0.00000 141 3S 0.00000 0.01441 -0.01090 0.00070 0.00000 142 3PX -0.05966 -0.00000 0.00000 -0.00000 -0.06015 143 3PY -0.00000 0.00751 -0.01214 -0.01950 -0.00000 144 3PZ 0.00000 -0.01135 -0.00567 0.00171 0.00000 145 4S 0.00000 0.01073 -0.01328 0.00231 0.00000 146 4PX -0.06061 -0.00000 0.00000 -0.00000 -0.05836 147 4PY -0.00000 0.00400 -0.01303 -0.00928 -0.00000 148 4PZ 0.00000 -0.01102 -0.00443 0.00729 0.00000 149 5S -0.00000 0.04937 0.06365 -0.05144 -0.00000 150 5PX -0.01864 -0.00000 0.00000 -0.00000 -0.01745 151 5PY -0.00000 0.00235 0.02234 -0.02006 -0.00000 152 5PZ -0.00000 0.00456 0.02225 -0.00661 0.00000 153 6D 0 -0.00000 0.00048 0.00069 -0.00031 -0.00000 154 6D+1 0.00011 -0.00000 -0.00000 -0.00000 0.00023 155 6D-1 0.00000 -0.00024 -0.00039 -0.00112 0.00000 156 6D+2 -0.00000 0.00003 0.00060 -0.00010 -0.00000 157 6D-2 0.00005 -0.00000 -0.00000 0.00000 -0.00023 158 7D 0 -0.00000 0.00130 0.00343 -0.00189 -0.00000 159 7D+1 -0.00116 -0.00000 -0.00000 0.00000 -0.00079 160 7D-1 -0.00000 -0.00017 -0.00028 -0.00275 -0.00000 161 7D+2 0.00000 0.00226 0.00110 -0.00130 0.00000 162 7D-2 0.00188 0.00000 -0.00000 0.00000 0.00104 163 7 H 1S -0.00000 -0.00207 0.00061 0.01151 -0.00000 164 2S 0.00000 0.00094 -0.00098 0.01449 -0.00000 165 3S 0.00000 0.00062 -0.00526 0.00765 0.00000 166 4PX -0.00400 -0.00000 0.00000 0.00000 -0.00388 167 4PY -0.00000 0.00030 -0.00045 0.00071 -0.00000 168 4PZ 0.00000 -0.00058 -0.00029 -0.00066 0.00000 169 8 Mg 1S -0.00000 0.00003 0.00140 0.00491 -0.00000 170 2S -0.00000 0.00008 0.00387 0.01371 -0.00000 171 3S 0.00000 0.00000 -0.01021 -0.02989 0.00000 172 4S 0.00000 0.00011 -0.01381 -0.02104 0.00000 173 5S -0.00000 -0.00181 0.03531 -0.04430 0.00000 174 6S 0.00000 0.00929 -0.01154 -0.04599 0.00000 175 7S 0.00000 -0.00063 -0.00069 0.00182 -0.00000 176 7PX 0.00031 -0.00000 -0.00000 0.00000 0.00032 177 7PY 0.00000 -0.00001 0.00004 0.00018 0.00000 178 7PZ -0.00000 0.00075 0.00022 -0.00245 0.00000 179 8PX 0.00138 0.00000 -0.00000 0.00000 0.00127 180 8PY -0.00000 -0.00038 0.00126 0.00325 -0.00000 181 8PZ -0.00000 0.00014 0.00355 -0.01065 0.00000 182 9PX 0.00191 0.00000 -0.00000 0.00000 0.00176 183 9PY -0.00000 -0.00055 0.00167 0.00438 -0.00000 184 9PZ -0.00000 0.00022 0.00473 -0.01439 0.00000 185 10PX -0.00248 -0.00000 0.00000 0.00000 -0.00289 186 10PY 0.00000 0.00088 -0.00144 0.00234 -0.00000 187 10PZ 0.00000 0.00020 -0.00689 -0.00388 0.00000 188 11PX -0.00496 -0.00000 0.00000 -0.00000 -0.00521 189 11PY 0.00000 -0.00086 -0.00432 0.00018 -0.00000 190 11PZ 0.00000 -0.00189 -0.00699 0.00770 0.00000 191 12PX 0.00350 -0.00000 -0.00000 -0.00000 0.00178 192 12PY 0.00000 -0.00182 -0.00555 -0.00247 0.00000 193 12PZ -0.00000 0.00426 0.00411 0.02756 -0.00000 194 13D 0 -0.00000 0.00043 0.00003 -0.00523 0.00000 195 13D+1 0.00141 0.00000 -0.00000 0.00000 0.00170 196 13D-1 -0.00000 -0.00045 0.00142 0.00142 -0.00000 197 13D+2 -0.00000 0.00017 0.00046 0.00007 -0.00000 198 13D-2 0.00069 0.00000 -0.00000 0.00000 0.00059 199 14D 0 -0.00000 0.00190 0.00235 -0.00815 0.00000 200 14D+1 0.00083 -0.00000 -0.00000 0.00000 0.00171 201 14D-1 -0.00000 0.00032 0.00272 0.00373 -0.00000 202 14D+2 -0.00000 0.00003 0.00096 -0.00051 -0.00000 203 14D-2 0.00230 -0.00000 -0.00000 0.00000 0.00196 204 9 Br 1S -0.00000 -0.00001 0.00008 0.00054 -0.00000 205 2S -0.00000 -0.00004 0.00025 0.00175 -0.00000 206 3S 0.00000 0.00011 -0.00068 -0.00484 0.00000 207 4S 0.00000 0.00012 -0.00085 -0.00577 0.00000 208 5S -0.00000 -0.00023 0.00171 0.01083 -0.00000 209 6S -0.00000 -0.00033 0.00203 0.01293 -0.00000 210 7S 0.00000 0.00079 -0.00354 -0.01675 0.00000 211 8S 0.00000 -0.00043 -0.00487 -0.00074 0.00000 212 9S -0.00000 -0.00690 0.00057 -0.01018 0.00000 213 9PX -0.00152 -0.00000 0.00000 -0.00000 -0.00094 214 9PY -0.00000 0.00035 0.00145 0.00176 -0.00000 215 9PZ 0.00000 0.00204 0.00012 0.00385 -0.00000 216 10PX 0.00002 0.00000 -0.00000 -0.00000 0.00001 217 10PY -0.00000 0.00002 0.00011 0.00065 -0.00000 218 10PZ -0.00000 -0.00002 0.00018 0.00098 -0.00000 219 11PX 0.00013 0.00000 -0.00000 -0.00000 0.00006 220 11PY -0.00000 0.00013 0.00090 0.00540 -0.00000 221 11PZ -0.00000 -0.00019 0.00148 0.00795 -0.00000 222 12PX -0.00040 -0.00000 0.00000 0.00000 -0.00012 223 12PY 0.00000 -0.00029 -0.00239 -0.01513 0.00000 224 12PZ 0.00000 0.00032 -0.00395 -0.01846 0.00000 225 13PX -0.00019 -0.00000 0.00000 0.00000 -0.00008 226 13PY 0.00000 -0.00010 -0.00087 -0.00544 0.00000 227 13PZ 0.00000 0.00014 -0.00141 -0.00696 0.00000 228 14PX 0.00044 0.00000 -0.00000 -0.00000 0.00018 229 14PY -0.00000 0.00022 0.00193 0.01203 -0.00000 230 14PZ -0.00000 -0.00032 0.00324 0.01537 -0.00000 231 15PX 0.00064 0.00000 -0.00000 -0.00000 0.00023 232 15PY -0.00000 0.00056 0.00453 0.02815 -0.00000 233 15PZ -0.00000 -0.00069 0.00814 0.03478 -0.00000 234 16PX 0.00107 0.00000 -0.00000 -0.00000 0.00027 235 16PY -0.00000 0.00031 0.00258 0.01782 -0.00000 236 16PZ -0.00000 -0.00003 0.00703 0.01683 -0.00000 237 17D 0 0.00000 -0.00009 -0.00051 0.00247 -0.00000 238 17D+1 0.00009 0.00000 0.00000 0.00000 0.00009 239 17D-1 -0.00000 0.00047 0.00208 0.02678 -0.00000 240 17D+2 0.00000 0.00018 -0.00026 -0.00806 0.00000 241 17D-2 0.00002 -0.00000 -0.00000 -0.00000 0.00000 242 18D 0 0.00000 -0.00003 -0.00021 0.00120 -0.00000 243 18D+1 0.00002 0.00000 0.00000 0.00000 0.00005 244 18D-1 -0.00000 0.00016 0.00074 0.00933 -0.00000 245 18D+2 0.00000 0.00006 -0.00011 -0.00278 0.00000 246 18D-2 -0.00004 -0.00000 -0.00000 -0.00000 -0.00004 247 19D 0 -0.00000 -0.00001 0.00020 -0.00136 0.00000 248 19D+1 0.00008 0.00000 -0.00000 0.00000 0.00003 249 19D-1 -0.00000 0.00003 0.00005 0.00111 -0.00000 250 19D+2 -0.00000 0.00001 0.00002 -0.00047 0.00000 251 19D-2 0.00009 0.00000 -0.00000 -0.00000 0.00008 252 20D 0 -0.00000 -0.00002 0.00025 -0.00182 0.00000 253 20D+1 0.00012 0.00000 -0.00000 0.00000 0.00029 254 20D-1 0.00000 -0.00003 -0.00003 -0.00074 0.00000 255 20D+2 -0.00000 0.00001 -0.00005 -0.00012 -0.00000 256 20D-2 -0.00015 -0.00000 -0.00000 0.00000 -0.00013 257 10 H 1S 0.00000 -0.00618 -0.01856 -0.00029 0.00000 258 2S 0.00000 -0.01141 -0.03115 -0.00591 0.00000 259 3S 0.00000 -0.01854 -0.03815 -0.00278 0.00000 260 4PX 0.00557 0.00000 -0.00000 0.00000 0.00426 261 4PY 0.00000 0.00010 0.00138 0.00044 0.00000 262 4PZ -0.00000 -0.00048 -0.00372 -0.00107 -0.00000 263 11 H 1S 0.00000 0.08828 -0.05044 0.04757 0.00000 264 2S 0.00000 0.13333 -0.07655 0.06743 0.00000 265 3S 0.00000 0.05270 -0.03088 0.00357 0.00000 266 4PX 0.00882 -0.00000 -0.00000 -0.00000 0.00710 267 4PY -0.00000 -0.00804 0.00792 -0.00859 -0.00000 268 4PZ -0.00000 0.00789 0.00124 0.00473 -0.00000 269 12 H 1S -0.00000 0.01223 0.01458 -0.01126 -0.00000 270 2S -0.00000 0.02019 0.02564 -0.02109 -0.00000 271 3S -0.00000 0.01775 0.02907 -0.00944 -0.00000 272 4PX 0.00557 0.00000 -0.00000 0.00000 0.00436 273 4PY 0.00000 -0.00320 -0.00223 0.00119 0.00000 274 4PZ -0.00000 -0.00025 -0.00025 -0.00123 -0.00000 275 13 H 1S -0.00000 -0.01097 -0.00600 0.00125 0.00000 276 2S 0.00000 -0.01766 -0.01160 0.00200 0.00000 277 3S -0.00000 -0.02164 -0.01164 0.00372 0.00000 278 4PX -0.00083 0.00000 0.00000 -0.00000 -0.00111 279 4PY 0.00000 0.00055 -0.00058 -0.00037 0.00000 280 4PZ 0.00000 -0.00068 -0.00014 -0.00010 0.00000 66 67 68 69 70 66 4PY 0.04814 67 4PZ -0.00310 0.04721 68 5S 0.01589 0.02273 0.39376 69 5PX 0.00000 -0.00000 -0.00000 0.00425 70 5PY -0.00049 -0.00943 -0.00522 -0.00000 0.03163 71 5PZ -0.00287 0.00235 0.10162 -0.00000 0.03512 72 6D 0 0.00027 0.00437 0.00188 0.00000 -0.00083 73 6D+1 -0.00000 -0.00000 -0.00000 0.00002 0.00000 74 6D-1 -0.00466 -0.00038 -0.00267 0.00000 0.00095 75 6D+2 0.00017 0.00257 -0.00260 0.00000 -0.00044 76 6D-2 0.00000 0.00000 0.00000 -0.00044 -0.00000 77 7D 0 -0.00039 0.00243 -0.00674 0.00000 -0.00090 78 7D+1 -0.00000 -0.00000 -0.00000 -0.00038 0.00000 79 7D-1 -0.00253 -0.00088 -0.01232 0.00000 -0.00006 80 7D+2 0.00084 0.00066 0.00012 0.00000 -0.00030 81 7D-2 0.00000 0.00000 0.00000 -0.00058 0.00000 82 4 C 1S -0.00652 -0.01561 -0.01116 -0.00000 0.00602 83 2S -0.00433 -0.02370 -0.00726 -0.00000 0.00686 84 2PX 0.00000 -0.00000 0.00000 0.00473 -0.00000 85 2PY -0.00345 0.00069 -0.04242 0.00000 0.00667 86 2PZ -0.00370 -0.04548 -0.06170 0.00000 0.01091 87 3S -0.00681 0.06348 -0.01077 0.00000 -0.01159 88 3PX 0.00000 -0.00000 0.00000 0.00719 -0.00000 89 3PY -0.00406 0.00114 -0.05605 0.00000 0.00923 90 3PZ -0.00427 -0.06398 -0.08386 0.00000 0.01530 91 4S -0.00010 0.01843 -0.03458 0.00000 -0.00409 92 4PX 0.00000 -0.00000 0.00000 0.00592 0.00000 93 4PY -0.00625 0.00706 -0.01539 -0.00000 0.00612 94 4PZ -0.00479 -0.03185 -0.05904 0.00000 0.00298 95 5S -0.04619 -0.05273 -0.37282 0.00000 0.03638 96 5PX 0.00000 0.00000 -0.00000 -0.00009 -0.00000 97 5PY 0.00890 0.01323 -0.00389 0.00000 -0.03830 98 5PZ -0.00752 -0.00701 0.11000 -0.00000 0.04874 99 6D 0 0.00027 0.00404 0.00849 -0.00000 -0.00037 100 6D+1 -0.00000 0.00000 -0.00000 -0.00085 -0.00000 101 6D-1 -0.00297 0.00001 -0.00482 -0.00000 0.00020 102 6D+2 0.00022 0.00082 0.00401 -0.00000 -0.00002 103 6D-2 0.00000 -0.00000 -0.00000 0.00031 0.00000 104 7D 0 0.00132 0.00182 0.01793 -0.00000 0.00210 105 7D+1 -0.00000 0.00000 -0.00000 -0.00249 -0.00000 106 7D-1 -0.00749 -0.00114 -0.01448 0.00000 -0.00170 107 7D+2 -0.00044 0.00241 0.00721 -0.00000 0.00086 108 7D-2 0.00000 -0.00000 0.00000 0.00145 0.00000 109 5 C 1S -0.00302 0.00003 -0.00672 0.00000 -0.00361 110 2S -0.00613 0.00294 -0.01470 0.00000 -0.00697 111 2PX -0.00000 -0.00000 -0.00000 -0.00867 -0.00000 112 2PY 0.00233 -0.00035 0.04098 -0.00000 -0.00028 113 2PZ 0.00098 0.00944 0.08221 -0.00000 0.01443 114 3S 0.02043 -0.01859 0.04591 -0.00000 0.02198 115 3PX -0.00000 0.00000 -0.00000 -0.01317 -0.00000 116 3PY 0.00241 -0.00053 0.05639 -0.00000 -0.00085 117 3PZ 0.00150 0.01301 0.12154 -0.00000 0.02176 118 4S 0.01390 0.01001 0.12718 -0.00000 0.01115 119 4PX -0.00000 0.00000 -0.00000 -0.01143 -0.00000 120 4PY 0.00395 0.00332 0.04362 -0.00000 0.00312 121 4PZ 0.00117 0.00970 0.10053 -0.00000 0.00916 122 5S -0.00017 0.03998 0.08762 0.00000 -0.18371 123 5PX 0.00000 0.00000 -0.00000 0.00008 0.00000 124 5PY 0.02295 0.02695 0.01832 0.00000 -0.03109 125 5PZ -0.01071 0.02326 0.02907 -0.00000 -0.02602 126 6D 0 0.00018 0.00093 0.00301 -0.00000 -0.00011 127 6D+1 -0.00000 -0.00000 -0.00000 0.00030 0.00000 128 6D-1 0.00019 -0.00097 -0.00490 0.00000 0.00041 129 6D+2 -0.00006 0.00114 0.00464 -0.00000 -0.00006 130 6D-2 0.00000 -0.00000 0.00000 0.00064 0.00000 131 7D 0 0.00182 0.00369 0.01887 -0.00000 0.00125 132 7D+1 -0.00000 -0.00000 -0.00000 -0.00013 -0.00000 133 7D-1 0.00019 -0.00241 -0.00274 -0.00000 0.00158 134 7D+2 0.00158 0.00129 0.01304 -0.00000 0.00055 135 7D-2 0.00000 -0.00000 -0.00000 0.00217 -0.00000 136 6 C 1S -0.00221 0.00325 0.07530 -0.00000 -0.01062 137 2S -0.00290 0.00382 0.09422 -0.00000 -0.01123 138 2PX -0.00000 0.00000 0.00000 -0.01336 -0.00000 139 2PY 0.00528 -0.00852 -0.00097 -0.00000 -0.00167 140 2PZ -0.00538 -0.00645 -0.05472 0.00000 -0.00432 141 3S 0.00649 -0.00683 -0.18557 0.00000 0.01340 142 3PX -0.00000 0.00000 0.00000 -0.02033 -0.00000 143 3PY 0.00826 -0.01247 -0.00775 -0.00000 -0.00241 144 3PZ -0.00773 -0.00842 -0.07463 0.00000 -0.00672 145 4S 0.00659 -0.00747 -0.08155 0.00000 0.01884 146 4PX -0.00000 0.00000 0.00000 -0.01802 -0.00000 147 4PY 0.00373 -0.00974 -0.00522 -0.00000 -0.00113 148 4PZ -0.00887 -0.00446 -0.05989 0.00000 -0.00985 149 5S 0.01621 0.04797 -0.16086 0.00000 0.01122 150 5PX -0.00000 0.00000 -0.00000 -0.00540 0.00000 151 5PY 0.00600 0.00700 0.00606 -0.00000 0.00564 152 5PZ 0.01215 0.00075 0.04457 0.00000 -0.00432 153 6D 0 0.00042 0.00053 0.00431 -0.00000 0.00093 154 6D+1 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 155 6D-1 0.00012 -0.00056 0.00055 0.00000 0.00001 156 6D+2 0.00003 0.00050 0.00580 -0.00000 0.00018 157 6D-2 -0.00000 0.00000 -0.00000 -0.00034 -0.00000 158 7D 0 0.00149 0.00169 0.01693 -0.00000 0.00344 159 7D+1 -0.00000 -0.00000 -0.00000 -0.00047 -0.00000 160 7D-1 0.00071 -0.00026 0.01026 -0.00000 0.00255 161 7D+2 0.00135 0.00082 0.00411 -0.00000 0.00173 162 7D-2 -0.00000 -0.00000 -0.00000 -0.00047 -0.00000 163 7 H 1S -0.00430 0.00176 -0.06421 0.00000 0.00135 164 2S -0.00394 0.00191 -0.08921 0.00000 0.00329 165 3S -0.00179 -0.00257 -0.03221 0.00000 -0.00402 166 4PX -0.00000 0.00000 -0.00000 -0.00122 0.00000 167 4PY -0.00017 -0.00018 -0.01056 0.00000 0.00064 168 4PZ -0.00012 -0.00049 0.00288 0.00000 -0.00052 169 8 Mg 1S -0.00128 0.00272 0.01355 -0.00000 -0.00413 170 2S -0.00359 0.00757 0.03496 -0.00000 -0.01117 171 3S 0.00771 -0.01766 -0.07777 0.00000 0.02187 172 4S 0.00486 -0.01665 -0.08758 0.00000 0.01006 173 5S 0.01510 0.00588 0.12660 -0.00000 0.07242 174 6S 0.01464 -0.02272 -0.04589 0.00000 0.06386 175 7S -0.00104 0.00058 0.00012 0.00000 -0.00339 176 7PX -0.00000 0.00000 -0.00000 0.00013 -0.00000 177 7PY -0.00004 0.00016 0.00064 -0.00000 0.00066 178 7PZ 0.00120 -0.00061 0.00384 -0.00000 0.00338 179 8PX -0.00000 0.00000 0.00000 0.00339 -0.00000 180 8PY 0.00246 0.00514 0.00036 0.00000 -0.04099 181 8PZ 0.00360 -0.00100 -0.07967 0.00000 0.01000 182 9PX -0.00000 0.00000 0.00000 0.00464 -0.00000 183 9PY 0.00333 0.00697 0.00029 0.00000 -0.05593 184 9PZ 0.00488 -0.00136 -0.10803 0.00000 0.01344 185 10PX -0.00000 0.00000 0.00000 -0.00124 -0.00000 186 10PY 0.00057 0.00132 0.01069 -0.00000 -0.00009 187 10PZ 0.00027 -0.00830 -0.06063 0.00000 0.00748 188 11PX -0.00000 0.00000 0.00000 -0.00257 0.00000 189 11PY -0.00094 -0.00123 0.00524 -0.00000 0.00702 190 11PZ -0.00266 -0.00143 -0.00246 0.00000 -0.01225 191 12PX 0.00000 -0.00000 -0.00000 -0.00060 0.00000 192 12PY -0.00088 -0.00329 -0.00720 0.00000 -0.00051 193 12PZ -0.00874 0.01448 -0.00381 0.00000 -0.04455 194 13D 0 0.00189 -0.00156 0.00785 -0.00000 0.00793 195 13D+1 -0.00000 -0.00000 -0.00000 0.00100 -0.00000 196 13D-1 -0.00041 0.00121 0.00385 -0.00000 0.00266 197 13D+2 0.00013 0.00025 0.00093 -0.00000 -0.00017 198 13D-2 -0.00000 -0.00000 -0.00000 0.00012 -0.00000 199 14D 0 0.00359 -0.00185 0.01029 -0.00000 0.01310 200 14D+1 -0.00000 0.00000 -0.00000 0.00145 -0.00000 201 14D-1 -0.00010 0.00306 0.01240 -0.00000 0.00469 202 14D+2 0.00029 0.00042 0.00279 -0.00000 0.00054 203 14D-2 -0.00000 -0.00000 -0.00000 0.00039 -0.00000 204 9 Br 1S -0.00012 0.00036 0.00202 -0.00000 -0.00090 205 2S -0.00038 0.00116 0.00651 -0.00000 -0.00290 206 3S 0.00103 -0.00321 -0.01790 0.00000 0.00808 207 4S 0.00122 -0.00387 -0.02221 0.00000 0.00963 208 5S -0.00227 0.00737 0.04381 -0.00000 -0.01798 209 6S -0.00298 0.00866 0.05120 -0.00000 -0.02070 210 7S 0.00505 -0.01170 -0.07911 0.00000 0.02273 211 8S -0.00089 -0.00545 -0.06341 0.00000 0.00069 212 9S 0.00306 -0.00602 0.01010 -0.00000 0.02071 213 9PX 0.00000 -0.00000 0.00000 0.00010 0.00000 214 9PY 0.00002 0.00150 0.00682 -0.00000 0.00274 215 9PZ -0.00130 0.00231 -0.00517 0.00000 -0.00755 216 10PX 0.00000 -0.00000 0.00000 0.00001 0.00000 217 10PY -0.00008 0.00041 0.00326 -0.00000 0.00185 218 10PZ -0.00028 0.00060 -0.00036 0.00000 -0.00150 219 11PX 0.00000 -0.00000 0.00000 0.00008 0.00000 220 11PY -0.00068 0.00344 0.02655 -0.00000 0.01488 221 11PZ -0.00224 0.00490 -0.00131 0.00000 -0.01248 222 12PX -0.00000 0.00000 -0.00000 0.00006 -0.00000 223 12PY 0.00161 -0.00985 -0.06198 0.00000 -0.03183 224 12PZ 0.00511 -0.01234 -0.02913 0.00000 0.03530 225 13PX -0.00000 0.00000 -0.00000 0.00001 -0.00000 226 13PY 0.00059 -0.00354 -0.02259 0.00000 -0.01169 227 13PZ 0.00197 -0.00454 -0.00935 0.00000 0.01305 228 14PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 229 14PY -0.00132 0.00781 0.05101 -0.00000 0.02671 230 14PZ -0.00434 0.01009 0.01894 -0.00000 -0.02839 231 15PX 0.00000 -0.00000 0.00000 0.00004 0.00000 232 15PY -0.00306 0.01827 0.11837 -0.00000 0.06175 233 15PZ -0.00953 0.02370 0.05063 -0.00000 -0.06482 234 16PX 0.00000 -0.00000 0.00000 -0.00032 0.00000 235 16PY -0.00199 0.01151 0.07649 -0.00000 0.04030 236 16PZ -0.00405 0.01456 0.04458 -0.00000 -0.03374 237 17D 0 -0.00244 -0.00082 -0.05453 0.00000 0.00120 238 17D+1 0.00000 0.00000 0.00000 -0.00325 0.00000 239 17D-1 -0.00413 0.01726 0.03535 -0.00000 0.01269 240 17D+2 -0.00116 -0.00380 0.01178 0.00000 -0.01953 241 17D-2 0.00000 -0.00000 0.00000 -0.00190 -0.00000 242 18D 0 -0.00096 -0.00016 -0.01894 0.00000 -0.00012 243 18D+1 0.00000 0.00000 0.00000 -0.00110 0.00000 244 18D-1 -0.00144 0.00602 0.01229 -0.00000 0.00440 245 18D+2 -0.00041 -0.00132 0.00404 0.00000 -0.00677 246 18D-2 0.00000 -0.00000 0.00000 -0.00067 -0.00000 247 19D 0 0.00033 -0.00060 -0.00322 0.00000 0.00260 248 19D+1 -0.00000 0.00000 0.00000 -0.00021 -0.00000 249 19D-1 -0.00018 0.00072 0.00065 -0.00000 0.00005 250 19D+2 -0.00005 -0.00020 0.00074 0.00000 -0.00107 251 19D-2 -0.00000 -0.00000 0.00000 -0.00009 -0.00000 252 20D 0 0.00040 -0.00109 -0.00537 0.00000 0.00400 253 20D+1 0.00000 0.00000 -0.00000 0.00017 -0.00000 254 20D-1 0.00005 -0.00044 -0.00547 0.00000 -0.00305 255 20D+2 -0.00005 -0.00009 0.00011 -0.00000 -0.00046 256 20D-2 -0.00000 0.00000 0.00000 -0.00007 0.00000 257 10 H 1S -0.01064 -0.00690 -0.06894 0.00000 0.00645 258 2S -0.01676 -0.01214 -0.10115 0.00000 0.01084 259 3S -0.01381 -0.01887 -0.06375 0.00000 0.00429 260 4PX 0.00000 -0.00000 0.00000 0.00038 -0.00000 261 4PY 0.00092 0.00028 0.00689 -0.00000 -0.00088 262 4PZ 0.00023 -0.00191 0.00228 -0.00000 0.00008 263 11 H 1S 0.05106 -0.02936 0.03005 0.00000 -0.00000 264 2S 0.07621 -0.04417 0.03952 0.00000 -0.00112 265 3S 0.02788 -0.01598 -0.00037 0.00000 -0.00197 266 4PX -0.00000 -0.00000 -0.00000 0.00126 0.00000 267 4PY -0.00498 0.00453 -0.00451 -0.00000 -0.00016 268 4PZ 0.00450 0.00024 0.00486 -0.00000 -0.00039 269 12 H 1S 0.00442 0.01370 -0.05802 0.00000 0.00459 270 2S 0.00775 0.02241 -0.08316 0.00000 0.00795 271 3S 0.00813 0.01751 -0.01988 0.00000 0.00040 272 4PX 0.00000 -0.00000 0.00000 0.00086 -0.00000 273 4PY -0.00155 -0.00102 -0.00073 0.00000 0.00041 274 4PZ -0.00031 0.00081 -0.00807 0.00000 0.00107 275 13 H 1S -0.00687 -0.00715 0.04281 -0.00000 -0.01054 276 2S -0.01151 -0.01202 0.05668 -0.00000 -0.01672 277 3S -0.01214 -0.00774 -0.00186 0.00000 -0.00679 278 4PX -0.00000 0.00000 -0.00000 -0.00036 -0.00000 279 4PY 0.00002 -0.00087 0.00676 -0.00000 -0.00153 280 4PZ -0.00044 -0.00019 0.00412 -0.00000 -0.00041 71 72 73 74 75 71 5PZ 0.07732 72 6D 0 -0.00060 0.00061 73 6D+1 0.00000 -0.00000 0.00018 74 6D-1 0.00093 -0.00002 0.00000 0.00066 75 6D+2 -0.00040 0.00019 -0.00000 -0.00008 0.00032 76 6D-2 -0.00000 -0.00000 0.00005 -0.00000 -0.00000 77 7D 0 -0.00260 0.00045 -0.00000 0.00007 0.00017 78 7D+1 0.00000 -0.00000 0.00052 0.00000 -0.00000 79 7D-1 -0.00326 0.00007 0.00000 0.00059 -0.00010 80 7D+2 -0.00069 0.00019 -0.00000 -0.00009 0.00010 81 7D-2 0.00000 -0.00000 0.00024 -0.00000 -0.00000 82 4 C 1S 0.00876 -0.00225 0.00000 0.00018 -0.00040 83 2S 0.01072 -0.00344 0.00000 0.00024 -0.00063 84 2PX -0.00000 0.00000 0.00323 0.00000 -0.00000 85 2PY 0.00129 -0.00009 0.00000 0.00355 0.00004 86 2PZ -0.00094 -0.00575 0.00000 0.00030 -0.00113 87 3S -0.02003 0.00910 -0.00000 -0.00062 0.00188 88 3PX -0.00000 0.00000 0.00495 0.00000 -0.00000 89 3PY 0.00248 -0.00017 0.00000 0.00485 0.00004 90 3PZ -0.00056 -0.00808 0.00000 0.00027 -0.00162 91 4S -0.02129 0.00366 -0.00000 0.00001 0.00068 92 4PX 0.00000 0.00000 0.00422 0.00000 -0.00000 93 4PY 0.00827 0.00051 0.00000 0.00285 0.00025 94 4PZ -0.00881 -0.00418 -0.00000 0.00028 -0.00100 95 5S -0.06285 -0.00371 0.00000 0.00804 0.00182 96 5PX -0.00000 0.00000 0.00123 -0.00000 -0.00000 97 5PY -0.04695 0.00133 -0.00000 -0.00203 0.00036 98 5PZ 0.09142 -0.00088 0.00000 0.00175 -0.00101 99 6D 0 0.00153 0.00050 -0.00000 -0.00001 0.00005 100 6D+1 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 101 6D-1 -0.00058 -0.00002 0.00000 0.00048 -0.00003 102 6D+2 0.00108 0.00005 -0.00000 0.00002 0.00001 103 6D-2 -0.00000 -0.00000 -0.00010 -0.00000 0.00000 104 7D 0 0.00670 0.00024 0.00000 0.00015 -0.00003 105 7D+1 -0.00000 -0.00000 0.00010 -0.00000 -0.00000 106 7D-1 -0.00552 -0.00010 0.00000 0.00062 -0.00017 107 7D+2 0.00342 0.00020 -0.00000 0.00015 0.00016 108 7D-2 -0.00000 0.00000 -0.00018 -0.00000 0.00000 109 5 C 1S -0.00570 -0.00004 0.00000 0.00046 0.00007 110 2S -0.01118 0.00010 0.00000 0.00079 0.00005 111 2PX -0.00000 -0.00000 0.00250 -0.00000 -0.00000 112 2PY 0.00982 -0.00048 0.00000 -0.00220 -0.00012 113 2PZ 0.04274 0.00009 -0.00000 0.00194 0.00007 114 3S 0.03379 -0.00092 -0.00000 -0.00246 0.00001 115 3PX -0.00000 -0.00000 0.00382 -0.00000 -0.00000 116 3PY 0.01274 -0.00064 0.00000 -0.00299 -0.00016 117 3PZ 0.06337 0.00005 -0.00000 0.00285 0.00004 118 4S 0.05344 0.00075 -0.00000 -0.00043 0.00062 119 4PX -0.00000 -0.00000 0.00314 -0.00000 -0.00000 120 4PY 0.01509 -0.00016 0.00000 -0.00242 -0.00012 121 4PZ 0.04369 -0.00001 -0.00000 0.00149 -0.00012 122 5S -0.15654 0.00264 -0.00000 -0.00578 -0.00079 123 5PX -0.00000 0.00000 -0.00027 -0.00000 -0.00000 124 5PY -0.03768 0.00211 -0.00000 -0.00368 0.00062 125 5PZ -0.00587 0.00083 -0.00000 0.00124 0.00088 126 6D 0 0.00069 0.00012 -0.00000 -0.00004 0.00003 127 6D+1 -0.00000 -0.00000 -0.00011 0.00000 0.00000 128 6D-1 -0.00060 -0.00008 -0.00000 0.00021 -0.00002 129 6D+2 0.00140 0.00008 0.00000 0.00007 0.00002 130 6D-2 -0.00000 -0.00000 0.00012 -0.00000 -0.00000 131 7D 0 0.00716 0.00039 -0.00000 -0.00006 0.00016 132 7D+1 -0.00000 -0.00000 -0.00002 0.00000 -0.00000 133 7D-1 0.00202 -0.00030 -0.00000 0.00013 -0.00006 134 7D+2 0.00430 0.00014 -0.00000 -0.00008 0.00007 135 7D-2 -0.00000 -0.00000 0.00039 0.00000 -0.00000 136 6 C 1S 0.00511 -0.00006 0.00000 -0.00011 -0.00005 137 2S 0.00947 -0.00004 0.00000 -0.00012 -0.00010 138 2PX 0.00000 0.00000 -0.00005 -0.00000 0.00000 139 2PY -0.00089 -0.00026 0.00000 0.00025 -0.00004 140 2PZ -0.02650 -0.00043 0.00000 0.00024 -0.00036 141 3S -0.03158 -0.00003 -0.00000 0.00022 0.00032 142 3PX 0.00000 0.00000 -0.00005 -0.00000 0.00000 143 3PY -0.00331 -0.00044 0.00000 0.00023 -0.00003 144 3PZ -0.03729 -0.00050 0.00000 0.00039 -0.00047 145 4S 0.00012 -0.00034 0.00000 -0.00057 -0.00015 146 4PX 0.00000 -0.00000 -0.00013 -0.00000 0.00000 147 4PY -0.00226 -0.00049 0.00000 0.00002 -0.00011 148 4PZ -0.03244 -0.00033 0.00000 0.00025 -0.00036 149 5S -0.01359 0.00231 -0.00000 -0.00327 0.00456 150 5PX 0.00000 -0.00000 0.00027 0.00000 0.00000 151 5PY 0.00165 0.00063 -0.00000 0.00000 0.00045 152 5PZ -0.00874 0.00037 -0.00000 -0.00042 -0.00063 153 6D 0 0.00293 0.00001 -0.00000 0.00009 0.00002 154 6D+1 -0.00000 -0.00000 0.00015 -0.00000 -0.00000 155 6D-1 0.00025 0.00007 -0.00000 0.00013 0.00005 156 6D+2 0.00210 0.00002 -0.00000 0.00007 0.00001 157 6D-2 -0.00000 -0.00000 0.00010 -0.00000 -0.00000 158 7D 0 0.00954 0.00007 -0.00000 0.00018 0.00006 159 7D+1 -0.00000 -0.00000 0.00047 -0.00000 -0.00000 160 7D-1 0.00606 0.00015 -0.00000 0.00032 0.00013 161 7D+2 0.00363 0.00002 -0.00000 0.00013 0.00007 162 7D-2 -0.00000 -0.00000 0.00035 -0.00000 -0.00000 163 7 H 1S -0.01938 -0.00018 -0.00000 -0.00048 -0.00017 164 2S -0.02570 -0.00046 -0.00000 -0.00093 -0.00023 165 3S -0.01812 -0.00070 0.00000 -0.00132 -0.00045 166 4PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 167 4PY -0.00250 -0.00004 0.00000 -0.00000 -0.00000 168 4PZ 0.00006 -0.00003 0.00000 0.00004 -0.00003 169 8 Mg 1S 0.00058 0.00001 0.00000 0.00007 0.00002 170 2S 0.00114 0.00004 0.00000 0.00019 0.00007 171 3S -0.00559 -0.00014 -0.00000 -0.00050 -0.00017 172 4S -0.01937 -0.00028 -0.00000 -0.00072 -0.00022 173 5S 0.10622 0.00118 0.00000 0.00199 0.00051 174 6S 0.04048 -0.00054 0.00000 0.00021 0.00013 175 7S -0.00281 -0.00006 0.00000 0.00001 -0.00001 176 7PX -0.00000 0.00000 -0.00004 -0.00000 0.00000 177 7PY 0.00129 -0.00001 -0.00000 0.00000 0.00000 178 7PZ 0.00417 0.00001 0.00000 0.00002 0.00001 179 8PX -0.00000 0.00000 -0.00021 -0.00000 0.00000 180 8PY -0.04829 0.00003 -0.00000 0.00005 -0.00001 181 8PZ -0.00877 0.00008 0.00000 0.00031 0.00006 182 9PX -0.00000 0.00000 -0.00029 -0.00000 0.00000 183 9PY -0.06597 0.00004 -0.00000 0.00007 -0.00001 184 9PZ -0.01199 0.00010 0.00000 0.00042 0.00008 185 10PX 0.00000 -0.00000 0.00039 0.00000 -0.00000 186 10PY 0.00526 -0.00009 0.00000 -0.00014 -0.00003 187 10PZ -0.01456 -0.00009 -0.00000 -0.00061 -0.00008 188 11PX 0.00000 -0.00000 0.00061 0.00000 -0.00000 189 11PY 0.01245 -0.00022 0.00000 0.00022 -0.00005 190 11PZ -0.01304 -0.00028 -0.00000 -0.00046 -0.00021 191 12PX 0.00000 -0.00000 0.00027 0.00000 -0.00000 192 12PY -0.00295 -0.00026 0.00000 0.00028 -0.00007 193 12PZ -0.03850 0.00020 -0.00000 0.00002 0.00048 194 13D 0 0.00949 -0.00005 0.00000 0.00012 -0.00001 195 13D+1 -0.00000 0.00000 -0.00028 -0.00000 0.00000 196 13D-1 0.00579 0.00006 -0.00000 0.00010 0.00002 197 13D+2 0.00011 0.00003 0.00000 -0.00002 0.00001 198 13D-2 -0.00000 -0.00000 0.00002 -0.00000 -0.00000 199 14D 0 0.01463 0.00008 0.00000 0.00021 0.00004 200 14D+1 -0.00000 0.00000 -0.00044 -0.00000 0.00000 201 14D-1 0.01154 0.00011 -0.00000 -0.00015 0.00003 202 14D+2 0.00135 0.00005 0.00000 -0.00001 0.00002 203 14D-2 -0.00000 -0.00000 0.00007 0.00000 -0.00000 204 9 Br 1S -0.00017 0.00000 -0.00000 0.00000 0.00000 205 2S -0.00053 0.00000 -0.00000 0.00001 0.00001 206 3S 0.00155 -0.00000 0.00000 -0.00002 -0.00002 207 4S 0.00158 -0.00000 0.00000 -0.00003 -0.00002 208 5S -0.00232 0.00000 -0.00000 0.00006 0.00004 209 6S -0.00262 0.00002 -0.00000 0.00007 0.00005 210 7S -0.00282 -0.00011 0.00000 -0.00013 -0.00010 211 8S -0.01851 -0.00013 -0.00000 -0.00031 -0.00007 212 9S 0.02005 0.00005 0.00000 -0.00011 -0.00046 213 9PX 0.00000 0.00000 -0.00007 -0.00000 -0.00000 214 9PY 0.00663 0.00007 -0.00000 -0.00006 0.00002 215 9PZ -0.00765 -0.00000 -0.00000 0.00005 0.00015 216 10PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 217 10PY 0.00409 0.00000 -0.00000 -0.00000 0.00000 218 10PZ -0.00116 0.00000 0.00000 0.00001 0.00000 219 11PX 0.00000 0.00000 -0.00004 -0.00000 0.00000 220 11PY 0.03304 0.00001 -0.00000 -0.00001 0.00000 221 11PZ -0.00925 0.00002 0.00000 0.00011 0.00003 222 12PX -0.00000 -0.00000 0.00010 0.00000 -0.00000 223 12PY -0.07218 -0.00002 0.00000 0.00001 -0.00001 224 12PZ 0.01797 -0.00004 -0.00000 -0.00030 -0.00008 225 13PX -0.00000 -0.00000 0.00003 0.00000 -0.00000 226 13PY -0.02648 -0.00001 0.00000 0.00000 -0.00000 227 13PZ 0.00710 -0.00002 -0.00000 -0.00010 -0.00003 228 14PX 0.00000 0.00000 -0.00007 -0.00000 0.00000 229 14PY 0.06030 0.00002 -0.00000 -0.00001 0.00000 230 14PZ -0.01570 0.00004 0.00000 0.00023 0.00007 231 15PX 0.00000 0.00000 -0.00020 -0.00000 0.00000 232 15PY 0.13947 0.00004 -0.00000 -0.00003 0.00001 233 15PZ -0.03323 0.00011 0.00000 0.00060 0.00015 234 16PX 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 235 16PY 0.09091 0.00001 -0.00000 0.00002 0.00000 236 16PZ -0.01065 0.00011 0.00000 0.00051 0.00013 237 17D 0 -0.01461 0.00000 0.00000 0.00001 -0.00004 238 17D+1 0.00000 -0.00000 0.00002 0.00000 -0.00000 239 17D-1 0.02842 -0.00013 0.00000 0.00004 -0.00002 240 17D+2 -0.01316 0.00003 -0.00000 0.00002 -0.00001 241 17D-2 -0.00000 0.00000 0.00002 -0.00000 0.00000 242 18D 0 -0.00554 0.00000 0.00000 0.00000 -0.00001 243 18D+1 0.00000 -0.00000 -0.00000 0.00000 0.00000 244 18D-1 0.00987 -0.00004 0.00000 0.00002 -0.00001 245 18D+2 -0.00457 0.00001 0.00000 0.00001 -0.00000 246 18D-2 -0.00000 0.00000 0.00000 -0.00000 0.00000 247 19D 0 0.00124 0.00001 -0.00000 0.00001 0.00000 248 19D+1 0.00000 -0.00000 0.00001 0.00000 -0.00000 249 19D-1 0.00008 -0.00001 0.00000 0.00000 -0.00000 250 19D+2 -0.00070 0.00000 -0.00000 -0.00000 0.00000 251 19D-2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 252 20D 0 0.00144 0.00003 -0.00000 -0.00002 0.00001 253 20D+1 -0.00000 0.00000 -0.00006 -0.00000 0.00000 254 20D-1 -0.00688 0.00000 -0.00000 -0.00000 0.00000 255 20D+2 -0.00036 -0.00000 0.00000 0.00000 -0.00000 256 20D-2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 257 10 H 1S -0.00682 -0.00069 0.00000 0.00314 -0.00017 258 2S -0.00790 -0.00130 0.00000 0.00493 -0.00017 259 3S -0.00995 -0.00201 0.00000 0.00261 -0.00079 260 4PX -0.00000 0.00000 0.00029 0.00000 -0.00000 261 4PY 0.00036 0.00002 0.00000 -0.00029 -0.00003 262 4PZ 0.00048 -0.00025 -0.00000 -0.00020 -0.00008 263 11 H 1S -0.00628 -0.00146 0.00000 -0.00446 -0.00262 264 2S -0.01168 -0.00244 0.00000 -0.00693 -0.00376 265 3S -0.00613 -0.00187 -0.00000 -0.00336 -0.00070 266 4PX -0.00000 0.00000 0.00010 0.00000 0.00000 267 4PY 0.00081 0.00018 -0.00000 0.00035 0.00047 268 4PZ -0.00030 0.00018 -0.00000 -0.00039 -0.00010 269 12 H 1S -0.00526 0.00256 -0.00000 0.00094 0.00173 270 2S -0.00529 0.00394 -0.00000 0.00134 0.00284 271 3S -0.00178 0.00246 -0.00000 -0.00032 0.00179 272 4PX -0.00000 0.00000 -0.00014 0.00000 -0.00000 273 4PY 0.00012 -0.00002 0.00000 0.00023 -0.00008 274 4PZ -0.00023 0.00022 0.00000 0.00027 0.00013 275 13 H 1S -0.00048 0.00045 -0.00000 0.00062 0.00021 276 2S -0.00416 0.00056 0.00000 0.00104 0.00030 277 3S -0.00981 0.00014 0.00000 0.00136 -0.00013 278 4PX -0.00000 0.00000 -0.00019 -0.00000 0.00000 279 4PY 0.00028 -0.00003 -0.00000 -0.00005 0.00002 280 4PZ 0.00098 0.00007 0.00000 0.00009 0.00005 76 77 78 79 80 76 6D-2 0.00013 77 7D 0 -0.00000 0.00105 78 7D+1 0.00023 -0.00000 0.00158 79 7D-1 -0.00000 0.00056 0.00000 0.00180 80 7D+2 -0.00000 0.00027 -0.00000 -0.00002 0.00033 81 7D-2 0.00027 -0.00000 0.00084 -0.00000 -0.00000 82 4 C 1S 0.00000 -0.00746 0.00000 -0.00076 -0.00138 83 2S 0.00000 -0.00795 0.00000 -0.00073 -0.00095 84 2PX -0.00022 -0.00000 0.00845 0.00000 -0.00000 85 2PY -0.00000 -0.00039 0.00000 0.00897 -0.00109 86 2PZ 0.00000 -0.00131 -0.00000 -0.00033 -0.00183 87 3S -0.00000 0.01023 -0.00000 0.00034 -0.00102 88 3PX -0.00037 -0.00000 0.01290 0.00000 -0.00000 89 3PY -0.00000 -0.00079 0.00000 0.01227 -0.00150 90 3PZ 0.00000 -0.00182 -0.00000 -0.00076 -0.00248 91 4S -0.00000 0.00383 -0.00000 0.00087 -0.00075 92 4PX -0.00002 -0.00000 0.01120 0.00000 -0.00000 93 4PY -0.00000 -0.00011 0.00000 0.00573 -0.00083 94 4PZ 0.00000 0.00007 -0.00000 0.00158 -0.00167 95 5S -0.00000 0.00403 0.00000 0.01074 -0.00042 96 5PX 0.00027 0.00000 0.00352 0.00000 -0.00000 97 5PY 0.00000 0.00177 0.00000 0.00117 0.00029 98 5PZ -0.00000 -0.00261 -0.00000 -0.00308 -0.00062 99 6D 0 -0.00000 0.00007 -0.00000 -0.00018 0.00012 100 6D+1 0.00012 -0.00000 0.00009 0.00000 -0.00000 101 6D-1 -0.00000 -0.00000 0.00000 0.00085 -0.00011 102 6D+2 -0.00000 -0.00017 -0.00000 -0.00006 0.00010 103 6D-2 -0.00002 0.00000 -0.00030 -0.00000 0.00000 104 7D 0 -0.00000 -0.00061 -0.00000 -0.00090 0.00009 105 7D+1 0.00037 0.00000 0.00061 0.00000 -0.00000 106 7D-1 -0.00000 0.00057 0.00000 0.00160 -0.00016 107 7D+2 -0.00000 -0.00016 -0.00000 -0.00036 0.00012 108 7D-2 -0.00012 0.00000 -0.00061 -0.00000 0.00000 109 5 C 1S -0.00000 0.00092 0.00000 0.00732 -0.00073 110 2S -0.00000 0.00151 0.00000 0.00888 -0.00035 111 2PX 0.00086 -0.00000 0.00765 0.00000 -0.00000 112 2PY 0.00000 0.00136 0.00000 -0.00577 0.00024 113 2PZ -0.00000 -0.00406 -0.00000 -0.00224 0.00017 114 3S 0.00000 -0.00413 -0.00000 -0.01560 -0.00144 115 3PX 0.00127 -0.00000 0.01166 0.00000 -0.00000 116 3PY 0.00000 0.00192 0.00000 -0.00803 0.00040 117 3PZ -0.00000 -0.00612 -0.00000 -0.00339 0.00021 118 4S -0.00000 -0.00459 -0.00000 -0.01323 -0.00041 119 4PX 0.00133 -0.00000 0.00979 0.00000 -0.00000 120 4PY 0.00000 0.00126 0.00000 -0.00561 0.00048 121 4PZ -0.00000 -0.00438 -0.00000 -0.00507 -0.00037 122 5S 0.00000 0.01398 -0.00000 0.01283 0.00254 123 5PX 0.00035 -0.00000 -0.00053 -0.00000 0.00000 124 5PY 0.00000 -0.00087 -0.00000 -0.00359 0.00051 125 5PZ -0.00000 0.00135 -0.00000 -0.00039 -0.00039 126 6D 0 -0.00000 0.00005 -0.00000 -0.00011 0.00004 127 6D+1 0.00000 0.00000 -0.00030 0.00000 0.00000 128 6D-1 -0.00000 -0.00016 0.00000 0.00060 -0.00007 129 6D+2 -0.00000 -0.00006 0.00000 0.00011 0.00008 130 6D-2 -0.00001 -0.00000 0.00028 -0.00000 -0.00000 131 7D 0 -0.00000 -0.00039 -0.00000 -0.00136 0.00012 132 7D+1 0.00010 0.00000 -0.00000 0.00000 -0.00000 133 7D-1 0.00000 -0.00010 -0.00000 0.00031 -0.00010 134 7D+2 -0.00000 -0.00031 -0.00000 -0.00070 0.00015 135 7D-2 -0.00004 -0.00000 0.00096 0.00000 -0.00000 136 6 C 1S 0.00000 -0.00059 -0.00000 -0.00091 0.00028 137 2S 0.00000 -0.00093 -0.00000 -0.00159 0.00028 138 2PX 0.00008 0.00000 0.00042 0.00000 -0.00000 139 2PY -0.00000 -0.00043 0.00000 0.00095 -0.00111 140 2PZ -0.00000 -0.00157 0.00000 0.00132 -0.00038 141 3S -0.00000 0.00272 0.00000 0.00516 -0.00023 142 3PX 0.00009 0.00000 0.00068 0.00000 -0.00000 143 3PY 0.00000 -0.00059 0.00000 0.00142 -0.00153 144 3PZ -0.00000 -0.00213 0.00000 0.00185 -0.00051 145 4S 0.00000 0.00128 -0.00000 0.00113 0.00007 146 4PX 0.00038 0.00000 0.00056 -0.00000 -0.00000 147 4PY 0.00000 -0.00001 0.00000 0.00102 -0.00068 148 4PZ -0.00000 -0.00035 0.00000 0.00222 -0.00036 149 5S 0.00000 0.00603 -0.00000 -0.00111 -0.00020 150 5PX 0.00036 0.00000 0.00117 0.00000 -0.00000 151 5PY -0.00000 -0.00253 0.00000 -0.00285 -0.00059 152 5PZ -0.00000 -0.00581 0.00000 -0.00439 -0.00036 153 6D 0 -0.00000 -0.00008 -0.00000 -0.00002 -0.00002 154 6D+1 0.00010 -0.00000 0.00047 0.00000 -0.00000 155 6D-1 -0.00000 0.00002 0.00000 0.00011 0.00007 156 6D+2 -0.00000 -0.00006 -0.00000 -0.00004 0.00001 157 6D-2 0.00002 -0.00000 0.00029 0.00000 -0.00000 158 7D 0 -0.00000 -0.00080 -0.00000 -0.00072 -0.00000 159 7D+1 0.00033 -0.00000 0.00150 0.00000 -0.00000 160 7D-1 -0.00000 -0.00037 -0.00000 -0.00062 0.00039 161 7D+2 -0.00000 -0.00029 -0.00000 -0.00008 0.00005 162 7D-2 0.00011 -0.00000 0.00104 0.00000 -0.00000 163 7 H 1S 0.00000 0.00029 -0.00000 0.00054 0.00035 164 2S 0.00000 0.00001 -0.00000 0.00008 0.00056 165 3S 0.00000 0.00003 -0.00000 -0.00056 -0.00033 166 4PX 0.00002 0.00000 0.00005 0.00000 0.00000 167 4PY 0.00000 -0.00002 0.00000 0.00016 0.00005 168 4PZ -0.00000 -0.00011 0.00000 0.00002 -0.00009 169 8 Mg 1S -0.00000 0.00037 0.00000 0.00055 0.00009 170 2S -0.00000 0.00103 0.00000 0.00146 0.00022 171 3S 0.00000 -0.00199 -0.00000 -0.00282 -0.00045 172 4S 0.00000 -0.00071 0.00000 -0.00150 -0.00052 173 5S -0.00000 -0.00796 -0.00000 -0.00775 0.00082 174 6S 0.00000 -0.00355 0.00000 -0.00052 0.00101 175 7S 0.00000 0.00020 0.00000 0.00023 -0.00004 176 7PX -0.00002 0.00000 -0.00012 0.00000 0.00000 177 7PY -0.00000 0.00000 -0.00000 0.00002 0.00001 178 7PZ -0.00000 -0.00035 0.00000 -0.00042 0.00004 179 8PX -0.00011 0.00000 -0.00065 0.00000 0.00000 180 8PY -0.00000 0.00032 -0.00000 0.00009 0.00030 181 8PZ -0.00000 -0.00149 0.00000 -0.00132 -0.00016 182 9PX -0.00016 0.00000 -0.00091 0.00000 0.00000 183 9PY -0.00000 0.00043 -0.00000 0.00013 0.00041 184 9PZ -0.00000 -0.00203 0.00000 -0.00180 -0.00022 185 10PX 0.00020 -0.00000 0.00121 -0.00000 -0.00000 186 10PY 0.00000 0.00034 0.00000 -0.00024 0.00006 187 10PZ 0.00000 0.00154 -0.00000 0.00263 0.00021 188 11PX 0.00035 -0.00000 0.00193 0.00000 -0.00000 189 11PY 0.00000 0.00018 0.00000 0.00041 -0.00008 190 11PZ 0.00000 0.00118 -0.00000 0.00042 -0.00033 191 12PX -0.00006 -0.00000 0.00072 -0.00000 -0.00000 192 12PY -0.00000 -0.00015 0.00000 0.00038 -0.00006 193 12PZ -0.00000 0.00350 -0.00000 0.00438 0.00039 194 13D 0 0.00000 -0.00081 0.00000 -0.00068 0.00007 195 13D+1 -0.00013 0.00000 -0.00089 0.00000 0.00000 196 13D-1 -0.00000 0.00008 -0.00000 0.00030 0.00003 197 13D+2 0.00000 0.00002 0.00000 -0.00004 0.00002 198 13D-2 -0.00000 0.00000 0.00005 0.00000 -0.00000 199 14D 0 -0.00000 -0.00119 0.00000 -0.00071 0.00024 200 14D+1 -0.00016 0.00000 -0.00137 0.00000 0.00000 201 14D-1 -0.00000 0.00033 -0.00000 -0.00018 0.00011 202 14D+2 0.00000 -0.00007 0.00000 -0.00021 0.00002 203 14D-2 -0.00001 0.00000 0.00017 0.00000 -0.00000 204 9 Br 1S -0.00000 0.00004 -0.00000 -0.00003 -0.00001 205 2S -0.00000 0.00012 -0.00000 -0.00010 -0.00004 206 3S 0.00000 -0.00037 0.00000 0.00024 0.00010 207 4S 0.00000 -0.00043 0.00000 0.00031 0.00012 208 5S -0.00000 0.00081 -0.00000 -0.00062 -0.00024 209 6S -0.00000 0.00085 -0.00000 -0.00088 -0.00037 210 7S 0.00000 -0.00020 0.00000 0.00270 0.00108 211 8S 0.00000 0.00132 0.00000 0.00290 0.00044 212 9S 0.00000 -0.00185 -0.00000 -0.00344 -0.00063 213 9PX 0.00003 -0.00000 -0.00020 -0.00000 0.00000 214 9PY 0.00000 0.00018 -0.00000 -0.00003 0.00003 215 9PZ -0.00000 0.00066 0.00000 0.00118 0.00019 216 10PX -0.00000 0.00000 -0.00003 0.00000 0.00000 217 10PY -0.00000 0.00008 -0.00000 0.00003 0.00001 218 10PZ -0.00000 0.00001 0.00000 -0.00008 -0.00004 219 11PX -0.00003 0.00000 -0.00021 0.00000 0.00000 220 11PY -0.00000 0.00062 -0.00000 0.00025 0.00010 221 11PZ -0.00000 0.00011 0.00000 -0.00063 -0.00028 222 12PX 0.00008 -0.00000 0.00054 -0.00000 -0.00000 223 12PY 0.00000 -0.00165 0.00000 -0.00058 -0.00025 224 12PZ 0.00000 -0.00047 0.00000 0.00115 0.00046 225 13PX 0.00003 -0.00000 0.00020 -0.00000 -0.00000 226 13PY 0.00000 -0.00060 0.00000 -0.00022 -0.00009 227 13PZ 0.00000 -0.00022 -0.00000 0.00037 0.00017 228 14PX -0.00007 0.00000 -0.00044 0.00000 0.00000 229 14PY -0.00000 0.00132 -0.00000 0.00049 0.00021 230 14PZ -0.00000 0.00043 0.00000 -0.00090 -0.00040 231 15PX -0.00015 0.00000 -0.00110 0.00000 0.00000 232 15PY -0.00000 0.00309 -0.00000 0.00111 0.00048 233 15PZ -0.00000 0.00065 0.00000 -0.00261 -0.00096 234 16PX -0.00008 0.00000 -0.00035 0.00000 0.00000 235 16PY -0.00000 0.00198 -0.00000 0.00080 0.00030 236 16PZ -0.00000 -0.00035 -0.00000 -0.00240 -0.00051 237 17D 0 -0.00000 -0.00055 0.00000 -0.00052 0.00000 238 17D+1 -0.00003 0.00000 0.00001 0.00000 0.00000 239 17D-1 0.00000 0.00250 -0.00000 0.00015 0.00008 240 17D+2 -0.00000 -0.00072 0.00000 -0.00029 -0.00004 241 17D-2 0.00000 -0.00000 -0.00003 0.00000 -0.00000 242 18D 0 0.00000 -0.00016 0.00000 -0.00017 -0.00001 243 18D+1 -0.00001 0.00000 -0.00002 0.00000 0.00000 244 18D-1 0.00000 0.00087 -0.00000 0.00005 0.00003 245 18D+2 -0.00000 -0.00025 0.00000 -0.00010 -0.00001 246 18D-2 0.00000 -0.00000 -0.00001 0.00000 0.00000 247 19D 0 -0.00000 -0.00014 -0.00000 -0.00005 0.00004 248 19D+1 0.00000 0.00000 0.00004 0.00000 -0.00000 249 19D-1 0.00000 0.00010 -0.00000 -0.00001 -0.00000 250 19D+2 -0.00000 -0.00004 -0.00000 -0.00002 -0.00000 251 19D-2 -0.00000 -0.00000 0.00001 0.00000 -0.00000 252 20D 0 0.00000 -0.00000 0.00000 0.00026 0.00009 253 20D+1 -0.00002 0.00000 -0.00016 -0.00000 0.00000 254 20D-1 -0.00000 -0.00010 -0.00000 -0.00007 -0.00002 255 20D+2 0.00000 -0.00001 0.00000 0.00001 -0.00000 256 20D-2 0.00000 0.00000 -0.00001 -0.00000 -0.00000 257 10 H 1S -0.00000 0.00149 0.00000 0.00746 -0.00193 258 2S -0.00000 0.00173 0.00000 0.01088 -0.00277 259 3S -0.00000 0.00016 0.00000 0.00634 -0.00133 260 4PX -0.00000 -0.00000 0.00077 0.00000 -0.00000 261 4PY 0.00000 -0.00027 0.00000 -0.00060 0.00021 262 4PZ 0.00000 -0.00021 -0.00000 -0.00054 0.00005 263 11 H 1S 0.00000 -0.00089 -0.00000 -0.00096 0.00063 264 2S 0.00000 -0.00136 -0.00000 -0.00150 0.00097 265 3S 0.00000 -0.00103 -0.00000 -0.00213 -0.00026 266 4PX -0.00018 0.00000 0.00011 0.00000 -0.00000 267 4PY -0.00000 0.00007 0.00000 -0.00013 -0.00011 268 4PZ 0.00000 0.00003 -0.00000 -0.00011 0.00013 269 12 H 1S -0.00000 0.00547 -0.00000 0.00240 0.00095 270 2S -0.00000 0.00798 -0.00000 0.00313 0.00163 271 3S -0.00000 0.00347 -0.00000 0.00040 0.00149 272 4PX -0.00025 0.00000 -0.00056 -0.00000 0.00000 273 4PY -0.00000 0.00013 -0.00000 0.00022 0.00008 274 4PZ -0.00000 0.00062 0.00000 0.00042 -0.00001 275 13 H 1S -0.00000 -0.00005 -0.00000 0.00072 0.00125 276 2S -0.00000 0.00009 -0.00000 0.00171 0.00195 277 3S -0.00000 0.00059 -0.00000 0.00184 0.00092 278 4PX -0.00015 0.00000 -0.00061 0.00000 0.00000 279 4PY -0.00000 -0.00018 -0.00000 0.00001 0.00002 280 4PZ 0.00000 0.00008 0.00000 0.00006 0.00016 81 82 83 84 85 81 7D-2 0.00072 82 4 C 1S 0.00000 0.65861 83 2S 0.00000 0.56035 0.48981 84 2PX 0.00233 0.00000 0.00000 0.06688 85 2PY -0.00000 0.00110 0.00187 0.00000 0.09022 86 2PZ -0.00000 0.00042 0.00063 -0.00000 -0.00147 87 3S -0.00000 -0.07978 -0.14263 -0.00000 -0.00854 88 3PX 0.00350 0.00000 0.00000 0.10254 0.00000 89 3PY -0.00000 0.00246 0.00484 0.00000 0.12463 90 3PZ -0.00000 -0.00024 0.00083 -0.00000 -0.00469 91 4S -0.00000 -0.06079 -0.08525 -0.00000 0.00552 92 4PX 0.00359 0.00000 0.00000 0.08491 0.00000 93 4PY -0.00000 0.00616 0.00384 0.00000 0.06204 94 4PZ -0.00000 -0.00229 -0.00506 -0.00000 0.00572 95 5S -0.00000 0.02184 0.01857 -0.00000 0.05715 96 5PX 0.00150 -0.00000 -0.00000 0.02224 0.00000 97 5PY -0.00000 -0.01366 -0.01610 0.00000 -0.00414 98 5PZ 0.00000 0.00163 0.00068 -0.00000 0.00311 99 6D 0 0.00000 -0.00072 -0.00155 0.00000 -0.00009 100 6D+1 0.00018 -0.00000 -0.00000 -0.00125 0.00000 101 6D-1 -0.00000 0.00045 0.00069 0.00000 0.00615 102 6D+2 -0.00000 0.00093 0.00217 0.00000 0.00038 103 6D-2 -0.00010 0.00000 0.00000 -0.00180 -0.00000 104 7D 0 0.00000 0.00075 0.00079 0.00000 0.00132 105 7D+1 0.00065 -0.00000 -0.00000 -0.00138 -0.00000 106 7D-1 -0.00000 -0.00004 0.00024 0.00000 0.00145 107 7D+2 -0.00000 0.00027 0.00027 0.00000 0.00111 108 7D-2 -0.00027 -0.00000 -0.00000 -0.00228 -0.00000 109 5 C 1S -0.00000 0.00495 0.00766 0.00000 0.01579 110 2S -0.00000 0.00764 0.01167 0.00000 0.02527 111 2PX 0.00300 -0.00000 -0.00000 0.04123 -0.00000 112 2PY 0.00000 -0.01654 -0.02665 -0.00000 -0.04934 113 2PZ 0.00000 0.01096 0.01764 -0.00000 0.03181 114 3S 0.00000 -0.01796 -0.02791 -0.00000 -0.07101 115 3PX 0.00451 -0.00000 -0.00000 0.06336 -0.00000 116 3PY 0.00000 -0.02628 -0.03958 -0.00000 -0.06925 117 3PZ 0.00000 0.01748 0.02713 -0.00000 0.04666 118 4S 0.00000 0.00167 0.00013 -0.00000 -0.03127 119 4PX 0.00427 -0.00000 -0.00000 0.04970 -0.00000 120 4PY 0.00000 -0.01392 -0.02162 -0.00000 -0.04982 121 4PZ 0.00000 0.00107 0.00694 -0.00000 0.01455 122 5S -0.00000 0.01553 0.01400 0.00000 -0.01993 123 5PX 0.00055 0.00000 -0.00000 -0.00837 -0.00000 124 5PY 0.00000 -0.01224 -0.01009 0.00000 -0.02388 125 5PZ -0.00000 -0.00762 -0.00568 0.00000 0.00894 126 6D 0 0.00000 0.00011 0.00016 0.00000 -0.00105 127 6D+1 -0.00006 0.00000 0.00000 -0.00208 0.00000 128 6D-1 -0.00000 0.00210 0.00321 0.00000 0.00548 129 6D+2 -0.00000 0.00115 0.00176 0.00000 0.00170 130 6D-2 0.00012 -0.00000 -0.00000 0.00250 -0.00000 131 7D 0 0.00000 0.00104 0.00120 -0.00000 -0.00252 132 7D+1 0.00018 -0.00000 -0.00000 -0.00132 0.00000 133 7D-1 -0.00000 0.00406 0.00442 -0.00000 0.00306 134 7D+2 0.00000 0.00344 0.00409 0.00000 -0.00145 135 7D-2 0.00039 -0.00000 -0.00000 0.00844 0.00000 136 6 C 1S 0.00000 -0.00104 -0.00162 -0.00000 -0.00391 137 2S 0.00000 -0.00162 -0.00264 -0.00000 -0.00627 138 2PX -0.00096 0.00000 0.00000 -0.00355 0.00000 139 2PY -0.00000 0.00391 0.00627 0.00000 0.01054 140 2PZ 0.00000 0.00062 0.00095 0.00000 0.00320 141 3S -0.00000 0.00454 0.00807 0.00000 0.01934 142 3PX -0.00150 0.00000 0.00000 -0.00463 0.00000 143 3PY -0.00000 0.00432 0.00822 0.00000 0.01481 144 3PZ 0.00000 0.00054 0.00105 0.00000 0.00483 145 4S -0.00000 -0.00293 -0.00265 -0.00000 -0.00270 146 4PX -0.00076 -0.00000 0.00000 -0.00834 -0.00000 147 4PY -0.00000 -0.00166 -0.00037 -0.00000 0.00613 148 4PZ -0.00000 -0.00097 -0.00229 0.00000 0.00206 149 5S -0.00000 -0.07030 -0.08090 -0.00000 -0.01515 150 5PX 0.00053 -0.00000 -0.00000 0.00154 0.00000 151 5PY 0.00000 -0.01100 -0.01032 0.00000 0.00187 152 5PZ 0.00000 0.01221 0.01915 0.00000 -0.00021 153 6D 0 -0.00000 0.00052 0.00090 -0.00000 0.00212 154 6D+1 0.00034 -0.00000 -0.00000 0.00210 -0.00000 155 6D-1 0.00000 0.00042 0.00074 0.00000 0.00148 156 6D+2 -0.00000 0.00040 0.00053 -0.00000 0.00123 157 6D-2 0.00010 -0.00000 -0.00000 0.00169 -0.00000 158 7D 0 0.00000 0.00354 0.00449 -0.00000 0.00388 159 7D+1 0.00102 -0.00000 -0.00000 0.00647 -0.00000 160 7D-1 0.00000 0.00042 0.00166 0.00000 0.00274 161 7D+2 -0.00000 0.00126 0.00227 -0.00000 0.00410 162 7D-2 0.00045 -0.00000 -0.00000 0.00607 -0.00000 163 7 H 1S -0.00000 -0.00306 -0.00493 -0.00000 -0.00866 164 2S -0.00000 -0.00552 -0.00732 -0.00000 -0.01377 165 3S 0.00000 -0.00606 -0.00967 -0.00000 -0.01963 166 4PX -0.00005 -0.00000 -0.00000 -0.00044 -0.00000 167 4PY -0.00000 -0.00032 -0.00011 -0.00000 0.00049 168 4PZ 0.00000 -0.00005 0.00003 0.00000 0.00060 169 8 Mg 1S -0.00000 0.00039 0.00064 0.00000 0.00079 170 2S -0.00000 0.00104 0.00173 0.00000 0.00213 171 3S 0.00000 -0.00265 -0.00447 -0.00000 -0.00553 172 4S 0.00000 -0.00418 -0.00672 -0.00000 -0.00825 173 5S 0.00000 0.01303 0.01941 0.00000 0.02381 174 6S 0.00000 0.01424 0.01479 -0.00000 0.01249 175 7S -0.00000 0.00098 0.00111 -0.00000 -0.00013 176 7PX -0.00006 0.00000 0.00000 -0.00052 -0.00000 177 7PY -0.00000 0.00053 0.00071 0.00000 0.00003 178 7PZ 0.00000 -0.00016 0.00002 0.00000 0.00035 179 8PX -0.00030 -0.00000 -0.00000 -0.00331 -0.00000 180 8PY -0.00000 0.00053 0.00087 0.00000 0.00107 181 8PZ 0.00000 0.00128 0.00213 0.00000 0.00269 182 9PX -0.00042 -0.00000 -0.00000 -0.00459 -0.00000 183 9PY -0.00000 0.00088 0.00133 0.00000 0.00152 184 9PZ 0.00000 0.00178 0.00295 0.00000 0.00369 185 10PX 0.00063 0.00000 0.00000 0.00580 0.00000 186 10PY 0.00000 -0.00135 -0.00171 -0.00000 -0.00255 187 10PZ -0.00000 -0.00332 -0.00519 -0.00000 -0.00677 188 11PX 0.00105 0.00000 0.00000 0.00876 0.00000 189 11PY 0.00000 0.00103 0.00111 0.00000 0.00316 190 11PZ -0.00000 -0.00556 -0.00648 -0.00000 -0.01016 191 12PX 0.00004 -0.00000 -0.00000 0.00574 -0.00000 192 12PY -0.00000 0.00240 0.00299 0.00000 0.00318 193 12PZ -0.00000 0.01374 0.01564 0.00000 0.00978 194 13D 0 0.00000 0.00101 0.00156 0.00000 0.00130 195 13D+1 -0.00038 0.00000 0.00000 -0.00424 -0.00000 196 13D-1 -0.00000 0.00117 0.00152 -0.00000 0.00197 197 13D+2 0.00000 0.00002 0.00008 0.00000 -0.00029 198 13D-2 0.00002 -0.00000 -0.00000 0.00045 -0.00000 199 14D 0 0.00000 0.00302 0.00409 0.00000 0.00482 200 14D+1 -0.00051 -0.00000 -0.00000 -0.00721 -0.00000 201 14D-1 -0.00000 -0.00059 -0.00074 -0.00000 -0.00270 202 14D+2 0.00000 0.00021 0.00033 0.00000 -0.00052 203 14D-2 0.00007 -0.00000 -0.00000 0.00150 0.00000 204 9 Br 1S 0.00000 0.00002 0.00002 0.00000 0.00003 205 2S 0.00000 0.00005 0.00008 0.00000 0.00010 206 3S 0.00000 -0.00013 -0.00021 -0.00000 -0.00028 207 4S 0.00000 -0.00017 -0.00028 -0.00000 -0.00036 208 5S -0.00000 0.00034 0.00058 0.00000 0.00072 209 6S 0.00000 0.00037 0.00059 0.00000 0.00082 210 7S -0.00000 -0.00055 -0.00082 -0.00000 -0.00137 211 8S -0.00000 -0.00230 -0.00377 -0.00000 -0.00347 212 9S 0.00000 -0.01671 -0.01895 -0.00000 -0.01268 213 9PX 0.00005 -0.00000 -0.00000 -0.00173 -0.00000 214 9PY -0.00000 -0.00074 -0.00096 -0.00000 -0.00067 215 9PZ -0.00000 0.00531 0.00589 0.00000 0.00433 216 10PX 0.00000 -0.00000 -0.00000 -0.00007 -0.00000 217 10PY -0.00000 0.00001 0.00002 -0.00000 -0.00000 218 10PZ 0.00000 0.00004 0.00006 0.00000 0.00013 219 11PX 0.00003 -0.00000 -0.00000 -0.00059 -0.00000 220 11PY -0.00000 0.00011 0.00015 -0.00000 -0.00004 221 11PZ 0.00000 0.00032 0.00052 0.00000 0.00105 222 12PX -0.00006 0.00000 0.00000 0.00156 0.00000 223 12PY 0.00000 -0.00027 -0.00039 0.00000 0.00009 224 12PZ -0.00000 -0.00084 -0.00138 -0.00000 -0.00278 225 13PX -0.00002 0.00000 0.00000 0.00053 0.00000 226 13PY 0.00000 -0.00014 -0.00019 0.00000 0.00000 227 13PZ -0.00000 -0.00033 -0.00049 -0.00000 -0.00098 228 14PX 0.00005 -0.00000 -0.00000 -0.00118 -0.00000 229 14PY -0.00000 0.00030 0.00040 -0.00000 -0.00001 230 14PZ 0.00000 0.00075 0.00112 0.00000 0.00222 231 15PX 0.00010 -0.00000 -0.00000 -0.00338 -0.00000 232 15PY -0.00000 0.00045 0.00066 -0.00000 -0.00024 233 15PZ 0.00000 0.00162 0.00279 0.00000 0.00558 234 16PX 0.00016 -0.00000 -0.00000 0.00017 -0.00000 235 16PY -0.00000 0.00049 0.00069 0.00000 0.00054 236 16PZ 0.00000 0.00255 0.00405 0.00000 0.00501 237 17D 0 0.00000 -0.00006 -0.00012 -0.00000 -0.00009 238 17D+1 0.00010 0.00000 0.00000 0.00008 0.00000 239 17D-1 -0.00000 0.00000 -0.00002 -0.00000 -0.00015 240 17D+2 0.00000 -0.00000 -0.00001 -0.00000 0.00001 241 17D-2 -0.00002 0.00000 0.00000 0.00001 0.00000 242 18D 0 0.00000 -0.00002 -0.00006 -0.00000 -0.00003 243 18D+1 0.00002 0.00000 0.00000 -0.00014 -0.00000 244 18D-1 -0.00000 0.00003 0.00003 -0.00000 -0.00005 245 18D+2 0.00000 -0.00000 -0.00001 0.00000 0.00002 246 18D-2 -0.00001 -0.00000 0.00000 -0.00002 0.00000 247 19D 0 0.00000 0.00004 0.00010 0.00000 0.00005 248 19D+1 0.00001 -0.00000 -0.00000 0.00025 0.00000 249 19D-1 -0.00000 -0.00006 -0.00007 0.00000 -0.00002 250 19D+2 0.00000 0.00000 0.00001 -0.00000 -0.00003 251 19D-2 0.00000 0.00000 -0.00000 0.00006 0.00000 252 20D 0 -0.00000 -0.00000 -0.00009 0.00000 0.00004 253 20D+1 -0.00009 0.00000 0.00000 -0.00100 -0.00000 254 20D-1 0.00000 0.00006 0.00006 -0.00000 -0.00010 255 20D+2 0.00000 -0.00001 -0.00002 0.00000 0.00007 256 20D-2 -0.00001 -0.00000 0.00000 -0.00010 0.00000 257 10 H 1S -0.00000 -0.02001 -0.03131 0.00000 0.06624 258 2S -0.00000 -0.03163 -0.04581 0.00000 0.10057 259 3S -0.00000 0.00094 0.00107 -0.00000 0.04089 260 4PX 0.00024 0.00000 0.00000 0.00581 0.00000 261 4PY 0.00000 0.00563 0.00748 0.00000 -0.00637 262 4PZ 0.00000 0.00289 0.00381 -0.00000 -0.00535 263 11 H 1S 0.00000 0.00385 0.00658 -0.00000 -0.00501 264 2S 0.00000 0.00646 0.01110 -0.00000 -0.00966 265 3S 0.00000 0.00651 0.00767 -0.00000 -0.01228 266 4PX -0.00020 0.00000 0.00000 0.00365 0.00000 267 4PY -0.00000 -0.00060 -0.00101 0.00000 0.00015 268 4PZ 0.00000 -0.00122 -0.00126 -0.00000 0.00011 269 12 H 1S -0.00000 -0.00255 -0.00416 0.00000 -0.00026 270 2S -0.00000 -0.00481 -0.00647 0.00000 0.00026 271 3S -0.00000 -0.00363 -0.00522 0.00000 -0.00164 272 4PX -0.00056 0.00000 0.00000 -0.00050 -0.00000 273 4PY -0.00000 -0.00038 -0.00021 -0.00000 0.00040 274 4PZ -0.00000 -0.00032 -0.00025 0.00000 0.00036 275 13 H 1S -0.00000 -0.00058 -0.00092 -0.00000 -0.00075 276 2S -0.00000 -0.00031 -0.00071 -0.00000 0.00117 277 3S -0.00000 0.00078 0.00079 -0.00000 0.00256 278 4PX -0.00049 -0.00000 -0.00000 -0.00265 -0.00000 279 4PY -0.00000 -0.00007 -0.00003 -0.00000 0.00018 280 4PZ 0.00000 -0.00004 0.00003 0.00000 0.00044 86 87 88 89 90 86 2PZ 0.09123 87 3S -0.00288 0.43815 88 3PX -0.00000 -0.00000 0.15722 89 3PY -0.00445 -0.02022 0.00000 0.17247 90 3PZ 0.12740 -0.00757 -0.00000 -0.00978 0.17810 91 4S 0.00682 0.19840 -0.00000 0.00358 0.00729 92 4PX -0.00000 -0.00000 0.13006 0.00000 -0.00000 93 4PY -0.00631 0.00541 0.00000 0.08569 -0.01069 94 4PZ 0.06984 0.01721 -0.00000 0.00558 0.09727 95 5S 0.09822 -0.00620 -0.00000 0.07537 0.13395 96 5PX -0.00000 0.00000 0.03404 0.00000 -0.00000 97 5PY -0.01638 0.02835 0.00000 -0.00589 -0.02304 98 5PZ 0.01111 0.00297 -0.00000 0.00396 0.01586 99 6D 0 -0.00647 0.00553 0.00000 -0.00003 -0.00905 100 6D+1 0.00000 0.00000 -0.00192 0.00000 0.00000 101 6D-1 -0.00072 -0.00199 0.00000 0.00851 -0.00123 102 6D+2 -0.00335 -0.00796 0.00000 0.00079 -0.00461 103 6D-2 0.00000 -0.00000 -0.00278 -0.00000 0.00000 104 7D 0 -0.00386 -0.00124 0.00000 0.00208 -0.00540 105 7D+1 0.00000 0.00000 -0.00213 -0.00000 0.00000 106 7D-1 -0.00027 -0.00133 0.00000 0.00189 -0.00055 107 7D+2 -0.00215 -0.00017 0.00000 0.00162 -0.00304 108 7D-2 0.00000 0.00000 -0.00354 -0.00000 0.00000 109 5 C 1S -0.00944 -0.01843 0.00000 0.02504 -0.01615 110 2S -0.01515 -0.02820 0.00000 0.03771 -0.02374 111 2PX -0.00000 0.00000 0.06351 -0.00000 -0.00000 112 2PY 0.03313 0.07638 -0.00000 -0.07034 0.04765 113 2PZ -0.01654 -0.05031 -0.00000 0.04599 -0.02331 114 3S 0.04315 0.07041 -0.00000 -0.09889 0.06095 115 3PX -0.00000 0.00000 0.09761 -0.00000 -0.00000 116 3PY 0.04565 0.10504 -0.00000 -0.09866 0.06568 117 3PZ -0.02354 -0.07441 -0.00000 0.06746 -0.03317 118 4S -0.00307 0.00416 -0.00000 -0.04154 -0.00317 119 4PX -0.00000 0.00000 0.07649 -0.00000 -0.00000 120 4PY 0.02189 0.06021 -0.00000 -0.07036 0.03212 121 4PZ -0.01238 -0.03660 -0.00000 0.02219 -0.01709 122 5S -0.05670 0.00089 0.00000 -0.02744 -0.07662 123 5PX -0.00000 0.00000 -0.01301 -0.00000 -0.00000 124 5PY -0.04153 0.00101 0.00000 -0.03117 -0.05736 125 5PZ -0.01030 -0.00335 0.00000 0.01320 -0.01395 126 6D 0 -0.00193 -0.00038 0.00000 -0.00139 -0.00264 127 6D+1 0.00000 -0.00000 -0.00322 0.00000 0.00000 128 6D-1 -0.00156 -0.00870 0.00000 0.00778 -0.00229 129 6D+2 -0.00270 -0.00457 0.00000 0.00250 -0.00373 130 6D-2 0.00000 0.00000 0.00380 -0.00000 0.00000 131 7D 0 -0.00590 -0.00208 -0.00000 -0.00316 -0.00804 132 7D+1 0.00000 0.00000 -0.00206 0.00000 0.00000 133 7D-1 0.00305 -0.00621 -0.00000 0.00427 0.00428 134 7D+2 -0.00390 -0.00710 0.00000 -0.00174 -0.00529 135 7D-2 -0.00000 0.00000 0.01285 0.00000 -0.00000 136 6 C 1S 0.00062 0.00454 -0.00000 -0.00432 0.00054 137 2S 0.00095 0.00807 -0.00000 -0.00822 0.00105 138 2PX 0.00000 -0.00000 -0.00463 0.00000 0.00000 139 2PY -0.00320 -0.01934 0.00000 0.01481 -0.00483 140 2PZ 0.00074 -0.00310 0.00000 0.00394 -0.00035 141 3S -0.00310 -0.02769 0.00000 0.02936 -0.00433 142 3PX 0.00000 -0.00000 -0.00585 0.00000 0.00000 143 3PY -0.00394 -0.02936 0.00000 0.02085 -0.00601 144 3PZ -0.00035 -0.00433 0.00000 0.00601 -0.00240 145 4S 0.00759 0.00013 -0.00000 -0.00309 0.01088 146 4PX 0.00000 -0.00000 -0.01182 -0.00000 0.00000 147 4PY 0.00509 -0.00704 -0.00000 0.00811 0.00675 148 4PZ 0.00248 0.00841 0.00000 0.00216 0.00232 149 5S 0.02330 0.13300 -0.00000 -0.02418 0.03241 150 5PX 0.00000 0.00000 0.00255 0.00000 0.00000 151 5PY -0.00921 0.00600 0.00000 0.00323 -0.01334 152 5PZ -0.03262 -0.05348 0.00000 0.00267 -0.04576 153 6D 0 -0.00093 -0.00282 -0.00000 0.00310 -0.00125 154 6D+1 -0.00000 0.00000 0.00318 -0.00000 -0.00000 155 6D-1 -0.00094 -0.00240 0.00000 0.00206 -0.00138 156 6D+2 -0.00048 -0.00112 -0.00000 0.00172 -0.00066 157 6D-2 -0.00000 0.00000 0.00261 -0.00000 -0.00000 158 7D 0 -0.00381 -0.00916 -0.00000 0.00578 -0.00530 159 7D+1 -0.00000 0.00000 0.00982 0.00000 -0.00000 160 7D-1 -0.00179 -0.00790 0.00000 0.00395 -0.00250 161 7D+2 -0.00184 -0.00720 -0.00000 0.00592 -0.00256 162 7D-2 -0.00000 0.00000 0.00930 -0.00000 -0.00000 163 7 H 1S 0.00514 0.01459 -0.00000 -0.01197 0.00704 164 2S 0.00959 0.01701 -0.00000 -0.01901 0.01328 165 3S 0.01324 0.02795 -0.00000 -0.02794 0.01851 166 4PX 0.00000 -0.00000 -0.00061 -0.00000 0.00000 167 4PY 0.00035 -0.00094 -0.00000 0.00075 0.00043 168 4PZ -0.00017 -0.00046 0.00000 0.00079 -0.00029 169 8 Mg 1S -0.00098 -0.00210 0.00000 0.00134 -0.00148 170 2S -0.00266 -0.00566 0.00000 0.00363 -0.00399 171 3S 0.00711 0.01450 -0.00000 -0.00930 0.01045 172 4S 0.01037 0.02037 -0.00000 -0.01332 0.01502 173 5S -0.02986 -0.05243 0.00000 0.03588 -0.04213 174 6S 0.00846 -0.01822 -0.00000 0.01701 0.01075 175 7S 0.00017 -0.00158 -0.00000 -0.00017 0.00029 176 7PX 0.00000 0.00000 -0.00080 -0.00000 0.00000 177 7PY -0.00038 -0.00156 0.00000 0.00008 -0.00050 178 7PZ -0.00007 -0.00108 0.00000 0.00055 -0.00012 179 8PX 0.00000 0.00000 -0.00524 -0.00000 0.00000 180 8PY -0.00193 -0.00302 0.00000 0.00177 -0.00261 181 8PZ -0.00226 -0.00698 0.00000 0.00453 -0.00359 182 9PX 0.00000 0.00000 -0.00728 -0.00000 0.00000 183 9PY -0.00261 -0.00417 0.00000 0.00249 -0.00353 184 9PZ -0.00301 -0.00952 0.00000 0.00619 -0.00481 185 10PX -0.00000 -0.00000 0.00892 0.00000 -0.00000 186 10PY 0.00256 0.00358 0.00000 -0.00370 0.00384 187 10PZ 0.00564 0.01457 -0.00000 -0.01026 0.00757 188 11PX -0.00000 -0.00000 0.01349 0.00000 -0.00000 189 11PY 0.00328 -0.00151 0.00000 0.00421 0.00466 190 11PZ 0.00607 0.01101 -0.00000 -0.01451 0.00872 191 12PX 0.00000 0.00000 0.00888 -0.00000 0.00000 192 12PY 0.00275 -0.00601 0.00000 0.00443 0.00376 193 12PZ -0.00890 -0.02225 0.00000 0.01383 -0.01197 194 13D 0 -0.00013 -0.00454 0.00000 0.00199 -0.00027 195 13D+1 0.00000 0.00000 -0.00650 -0.00000 0.00000 196 13D-1 -0.00215 -0.00313 0.00000 0.00277 -0.00298 197 13D+2 -0.00049 -0.00034 0.00000 -0.00038 -0.00067 198 13D-2 0.00000 0.00000 0.00069 -0.00000 0.00000 199 14D 0 -0.00322 -0.00945 0.00000 0.00697 -0.00463 200 14D+1 0.00000 0.00000 -0.01107 -0.00000 0.00000 201 14D-1 -0.00154 0.00179 -0.00000 -0.00378 -0.00193 202 14D+2 -0.00088 -0.00092 0.00000 -0.00066 -0.00120 203 14D-2 0.00000 0.00000 0.00229 0.00000 0.00000 204 9 Br 1S -0.00006 -0.00006 0.00000 0.00004 -0.00004 205 2S -0.00019 -0.00019 0.00000 0.00013 -0.00013 206 3S 0.00052 0.00052 -0.00000 -0.00034 0.00034 207 4S 0.00066 0.00072 -0.00000 -0.00044 0.00045 208 5S -0.00133 -0.00152 0.00000 0.00090 -0.00095 209 6S -0.00159 -0.00131 0.00000 0.00106 -0.00124 210 7S 0.00301 0.00109 -0.00000 -0.00206 0.00327 211 8S 0.00495 0.01069 -0.00000 -0.00532 0.00640 212 9S 0.00495 0.02773 -0.00000 -0.01779 0.00677 213 9PX 0.00000 0.00000 -0.00266 -0.00000 0.00000 214 9PY -0.00053 0.00218 -0.00000 -0.00101 -0.00065 215 9PZ -0.00163 -0.00806 0.00000 0.00606 -0.00223 216 10PX 0.00000 0.00000 -0.00010 -0.00000 0.00000 217 10PY -0.00004 0.00002 -0.00000 -0.00003 -0.00000 218 10PZ -0.00012 -0.00015 0.00000 0.00020 -0.00014 219 11PX 0.00000 0.00000 -0.00084 -0.00000 0.00000 220 11PY -0.00035 0.00015 -0.00000 -0.00025 -0.00003 221 11PZ -0.00097 -0.00126 0.00000 0.00165 -0.00116 222 12PX -0.00000 -0.00000 0.00217 0.00000 -0.00000 223 12PY 0.00089 -0.00034 0.00000 0.00070 0.00017 224 12PZ 0.00257 0.00373 -0.00000 -0.00432 0.00302 225 13PX -0.00000 -0.00000 0.00073 0.00000 -0.00000 226 13PY 0.00034 -0.00006 0.00000 0.00021 0.00009 227 13PZ 0.00091 0.00114 -0.00000 -0.00151 0.00107 228 14PX 0.00000 0.00000 -0.00164 -0.00000 0.00000 229 14PY -0.00077 0.00015 -0.00000 -0.00049 -0.00019 230 14PZ -0.00212 -0.00264 0.00000 0.00343 -0.00249 231 15PX 0.00000 0.00000 -0.00478 -0.00000 0.00000 232 15PY -0.00170 0.00077 -0.00000 -0.00143 -0.00032 233 15PZ -0.00546 -0.00784 0.00000 0.00869 -0.00654 234 16PX 0.00000 0.00000 0.00055 -0.00000 0.00000 235 16PY -0.00098 -0.00009 0.00000 0.00001 -0.00004 236 16PZ -0.00546 -0.01111 0.00000 0.00779 -0.00694 237 17D 0 0.00027 0.00069 -0.00000 -0.00006 -0.00007 238 17D+1 -0.00000 0.00000 0.00030 0.00000 0.00000 239 17D-1 0.00006 0.00122 0.00000 0.00120 0.00021 240 17D+2 0.00001 0.00018 -0.00000 -0.00011 -0.00018 241 17D-2 -0.00000 -0.00000 -0.00012 -0.00000 -0.00000 242 18D 0 0.00012 0.00037 0.00000 -0.00003 0.00002 243 18D+1 0.00000 -0.00000 -0.00016 0.00000 0.00000 244 18D-1 -0.00001 0.00037 0.00000 0.00043 0.00003 245 18D+2 0.00002 0.00008 0.00000 -0.00001 -0.00004 246 18D-2 -0.00000 -0.00000 -0.00009 -0.00000 0.00000 247 19D 0 -0.00020 -0.00041 0.00000 0.00008 -0.00034 248 19D+1 -0.00000 0.00000 0.00040 0.00000 -0.00000 249 19D-1 0.00006 0.00015 0.00000 0.00005 0.00007 250 19D+2 -0.00003 -0.00002 -0.00000 -0.00005 -0.00005 251 19D-2 0.00000 0.00000 0.00008 -0.00000 0.00000 252 20D 0 -0.00028 0.00050 0.00000 0.00001 -0.00048 253 20D+1 0.00000 -0.00000 -0.00156 -0.00000 0.00000 254 20D-1 -0.00008 -0.00014 -0.00000 -0.00003 -0.00022 255 20D+2 0.00004 0.00007 0.00000 0.00009 0.00006 256 20D-2 0.00000 -0.00000 -0.00015 -0.00000 0.00000 257 10 H 1S 0.03662 0.08150 0.00000 0.08867 0.04829 258 2S 0.05576 0.10786 0.00000 0.13487 0.07362 259 3S 0.02791 -0.00352 -0.00000 0.05537 0.03742 260 4PX -0.00000 -0.00000 0.00890 0.00000 -0.00000 261 4PY -0.00564 -0.01581 0.00000 -0.00831 -0.00754 262 4PZ 0.00122 -0.00793 -0.00000 -0.00726 0.00195 263 11 H 1S 0.01197 -0.02145 -0.00000 -0.00650 0.01798 264 2S 0.02042 -0.03561 -0.00000 -0.01275 0.03044 265 3S 0.02204 -0.01321 -0.00000 -0.01696 0.03168 266 4PX -0.00000 0.00000 0.00561 0.00000 -0.00000 267 4PY -0.00109 0.00324 0.00000 0.00017 -0.00165 268 4PZ -0.00260 0.00130 -0.00000 0.00024 -0.00356 269 12 H 1S -0.00927 0.01238 0.00000 -0.00049 -0.01220 270 2S -0.01559 0.01526 0.00000 0.00028 -0.02065 271 3S -0.01752 0.01349 0.00000 -0.00213 -0.02400 272 4PX 0.00000 -0.00000 -0.00072 -0.00000 0.00000 273 4PY 0.00052 -0.00070 -0.00000 0.00050 0.00070 274 4PZ -0.00014 -0.00008 0.00000 0.00049 -0.00010 275 13 H 1S -0.00034 0.00298 0.00000 -0.00207 -0.00122 276 2S 0.00091 0.00324 -0.00000 -0.00010 0.00001 277 3S 0.00174 -0.00097 -0.00000 0.00262 0.00170 278 4PX 0.00000 0.00000 -0.00398 -0.00000 0.00000 279 4PY 0.00043 -0.00006 -0.00000 0.00015 0.00051 280 4PZ -0.00029 -0.00030 0.00000 0.00056 -0.00041 91 92 93 94 95 91 4S 0.10532 92 4PX -0.00000 0.10856 93 4PY 0.00568 0.00000 0.04545 94 4PZ 0.01124 -0.00000 -0.00052 0.05985 95 5S 0.04458 -0.00000 0.03233 0.06438 0.70615 96 5PX 0.00000 0.02878 0.00000 -0.00000 -0.00000 97 5PY 0.01086 0.00000 -0.00605 -0.00164 -0.08588 98 5PZ -0.00739 -0.00000 0.01081 -0.00220 -0.00651 99 6D 0 0.00159 0.00000 0.00070 -0.00518 -0.00922 100 6D+1 0.00000 -0.00147 0.00000 0.00000 0.00000 101 6D-1 -0.00026 0.00000 0.00427 0.00022 0.00589 102 6D+2 -0.00415 0.00000 0.00038 -0.00311 -0.00431 103 6D-2 -0.00000 -0.00224 -0.00000 0.00000 0.00000 104 7D 0 -0.00058 0.00000 0.00230 -0.00570 -0.00591 105 7D+1 0.00000 -0.00139 -0.00000 0.00000 0.00000 106 7D-1 -0.00079 -0.00000 0.00040 0.00253 0.00741 107 7D+2 -0.00072 0.00000 0.00166 -0.00301 -0.00119 108 7D-2 0.00000 -0.00279 -0.00000 0.00000 -0.00000 109 5 C 1S -0.01170 0.00000 0.00970 -0.00713 -0.03673 110 2S -0.01901 0.00000 0.01616 -0.00717 -0.03766 111 2PX 0.00000 0.05180 -0.00000 -0.00000 0.00000 112 2PY 0.02333 -0.00000 -0.03063 0.02301 -0.03062 113 2PZ -0.02655 -0.00000 0.02821 -0.02556 -0.02581 114 3S 0.05181 -0.00000 -0.04807 0.00902 0.04228 115 3PX 0.00000 0.07953 -0.00000 -0.00000 0.00000 116 3PY 0.03228 -0.00000 -0.04309 0.03148 -0.04085 117 3PZ -0.03891 -0.00000 0.04134 -0.03714 -0.03805 118 4S 0.00187 0.00000 -0.01253 -0.02649 -0.02352 119 4PX 0.00000 0.06302 0.00000 -0.00000 0.00000 120 4PY 0.01194 0.00000 -0.03121 0.01513 -0.04907 121 4PZ -0.02066 -0.00000 0.01626 -0.02398 -0.03120 122 5S -0.07156 -0.00000 -0.02044 0.02412 -0.26561 123 5PX 0.00000 -0.00946 -0.00000 -0.00000 -0.00000 124 5PY -0.00367 0.00000 -0.02041 -0.02758 -0.24266 125 5PZ -0.01889 0.00000 0.01077 -0.00407 -0.00714 126 6D 0 -0.00050 0.00000 -0.00047 -0.00164 -0.00311 127 6D+1 0.00000 -0.00253 -0.00000 0.00000 0.00000 128 6D-1 -0.00270 -0.00000 0.00341 -0.00095 0.00488 129 6D+2 -0.00283 0.00000 0.00152 -0.00227 -0.00413 130 6D-2 0.00000 0.00331 -0.00000 -0.00000 -0.00000 131 7D 0 -0.00182 -0.00000 -0.00006 -0.00704 -0.00938 132 7D+1 0.00000 -0.00141 0.00000 0.00000 0.00000 133 7D-1 -0.00260 -0.00000 0.00199 0.00248 0.00416 134 7D+2 -0.00392 0.00000 -0.00019 -0.00469 -0.00805 135 7D-2 0.00000 0.01118 0.00000 -0.00000 0.00000 136 6 C 1S -0.00293 0.00000 0.00166 -0.00097 -0.07030 137 2S -0.00265 0.00000 0.00037 -0.00229 -0.08090 138 2PX -0.00000 -0.00834 0.00000 0.00000 -0.00000 139 2PY 0.00270 0.00000 0.00613 -0.00206 0.01515 140 2PZ 0.00759 0.00000 -0.00509 0.00248 0.02330 141 3S 0.00013 -0.00000 0.00704 0.00841 0.13300 142 3PX -0.00000 -0.01182 0.00000 0.00000 -0.00000 143 3PY 0.00309 0.00000 0.00811 -0.00216 0.02418 144 3PZ 0.01088 0.00000 -0.00675 0.00232 0.03241 145 4S 0.00288 -0.00000 -0.00536 0.00979 0.04352 146 4PX -0.00000 -0.01489 -0.00000 0.00000 -0.00000 147 4PY 0.00536 -0.00000 0.00200 0.00501 0.01497 148 4PZ 0.00979 0.00000 -0.00501 0.00775 0.03058 149 5S 0.04352 -0.00000 -0.01497 0.03058 -0.17461 150 5PX 0.00000 0.00138 0.00000 0.00000 0.00000 151 5PY 0.01427 0.00000 0.00177 -0.01562 -0.03636 152 5PZ -0.00574 0.00000 -0.00089 -0.03809 -0.07285 153 6D 0 -0.00153 -0.00000 0.00204 -0.00110 -0.00074 154 6D+1 0.00000 0.00297 0.00000 -0.00000 0.00000 155 6D-1 0.00005 0.00000 0.00094 -0.00117 0.00316 156 6D+2 -0.00101 -0.00000 0.00129 -0.00074 -0.00282 157 6D-2 0.00000 0.00209 -0.00000 -0.00000 -0.00000 158 7D 0 -0.00463 -0.00000 0.00396 -0.00541 -0.00862 159 7D+1 0.00000 0.00900 0.00000 -0.00000 0.00000 160 7D-1 -0.00253 0.00000 0.00252 -0.00424 0.00400 161 7D+2 -0.00348 -0.00000 0.00337 -0.00253 -0.00024 162 7D-2 0.00000 0.00781 0.00000 0.00000 0.00000 163 7 H 1S 0.00363 -0.00000 -0.00980 0.00791 0.02132 164 2S 0.00286 -0.00000 -0.01511 0.01180 0.02762 165 3S 0.01032 -0.00000 -0.01717 0.01429 -0.00370 166 4PX -0.00000 -0.00085 -0.00000 0.00000 0.00000 167 4PY -0.00015 -0.00000 -0.00029 0.00061 0.00598 168 4PZ 0.00048 0.00000 0.00037 -0.00022 -0.00131 169 8 Mg 1S -0.00369 0.00000 0.00003 -0.00044 -0.01142 170 2S -0.01047 0.00000 0.00007 -0.00109 -0.02942 171 3S 0.02491 -0.00000 -0.00109 0.00455 0.06170 172 4S 0.02348 -0.00000 -0.00462 0.01214 0.05903 173 5S -0.00652 0.00000 0.02663 -0.05994 -0.02305 174 6S 0.02095 0.00000 0.00615 -0.01267 0.06091 175 7S -0.00219 -0.00000 -0.00028 0.00127 -0.00182 176 7PX -0.00000 -0.00068 -0.00000 0.00000 -0.00000 177 7PY -0.00129 -0.00000 0.00005 -0.00019 -0.00212 178 7PZ 0.00085 0.00000 0.00046 -0.00174 0.00071 179 8PX -0.00000 -0.00400 -0.00000 0.00000 -0.00000 180 8PY 0.00289 -0.00000 -0.00327 0.00573 -0.28023 181 8PZ 0.00781 0.00000 -0.00331 -0.01117 0.08872 182 9PX -0.00000 -0.00555 -0.00000 0.00000 -0.00000 183 9PY 0.00398 -0.00000 -0.00443 0.00781 -0.38152 184 9PZ 0.01053 0.00000 -0.00445 -0.01509 0.12034 185 10PX -0.00000 0.00743 0.00000 -0.00000 -0.00000 186 10PY -0.00234 0.00000 -0.00154 0.00355 -0.05304 187 10PZ 0.01467 -0.00000 -0.00939 0.00768 0.02773 188 11PX -0.00000 0.01129 0.00000 -0.00000 0.00000 189 11PY -0.00350 0.00000 0.00287 0.00296 0.00574 190 11PZ 0.00223 -0.00000 -0.00898 0.01001 -0.00857 191 12PX 0.00000 0.00685 -0.00000 -0.00000 0.00000 192 12PY -0.00001 0.00000 0.00179 0.00159 0.01716 193 12PZ -0.03160 -0.00000 0.00578 0.00882 -0.02597 194 13D 0 0.00076 0.00000 0.00121 -0.00392 0.00163 195 13D+1 -0.00000 -0.00545 -0.00000 0.00000 -0.00000 196 13D-1 -0.00340 -0.00000 0.00154 -0.00099 -0.01193 197 13D+2 -0.00029 0.00000 -0.00014 -0.00044 -0.00086 198 13D-2 0.00000 0.00060 -0.00000 0.00000 0.00000 199 14D 0 0.00028 0.00000 0.00418 -0.00797 0.00113 200 14D+1 -0.00000 -0.00914 -0.00000 0.00000 -0.00000 201 14D-1 -0.00525 -0.00000 -0.00105 0.00003 -0.02961 202 14D+2 -0.00045 0.00000 -0.00015 -0.00115 -0.00118 203 14D-2 0.00000 0.00199 -0.00000 0.00000 0.00000 204 9 Br 1S -0.00038 -0.00000 -0.00010 0.00019 -0.00134 205 2S -0.00124 -0.00000 -0.00030 0.00062 -0.00437 206 3S 0.00329 0.00000 0.00098 -0.00169 0.01157 207 4S 0.00397 0.00000 0.00117 -0.00196 0.01441 208 5S -0.00752 -0.00000 -0.00217 0.00356 -0.02887 209 6S -0.00942 -0.00000 -0.00162 0.00452 -0.03796 210 7S 0.01605 0.00000 -0.00340 -0.00619 0.08064 211 8S 0.00912 -0.00000 -0.00467 0.00582 0.04425 212 9S 0.02302 -0.00000 -0.00707 -0.00374 0.00755 213 9PX 0.00000 -0.00205 -0.00000 0.00000 -0.00000 214 9PY -0.00177 -0.00000 -0.00005 0.00019 -0.01458 215 9PZ -0.00739 0.00000 0.00254 0.00155 -0.00127 216 10PX 0.00000 -0.00010 -0.00000 -0.00000 -0.00000 217 10PY -0.00129 -0.00000 0.00019 0.00019 -0.00689 218 10PZ -0.00099 0.00000 0.00033 0.00028 0.00046 219 11PX 0.00000 -0.00083 -0.00000 -0.00000 -0.00000 220 11PY -0.01068 -0.00000 0.00153 0.00162 -0.05645 221 11PZ -0.00800 0.00000 0.00265 0.00224 0.00268 222 12PX 0.00000 0.00242 0.00000 -0.00000 0.00000 223 12PY 0.02794 0.00000 -0.00368 -0.00586 0.13912 224 12PZ 0.01747 -0.00000 -0.00498 -0.00437 0.01528 225 13PX 0.00000 0.00083 0.00000 -0.00000 0.00000 226 13PY 0.01012 0.00000 -0.00135 -0.00207 0.05065 227 13PZ 0.00641 -0.00000 -0.00178 -0.00183 0.00510 228 14PX 0.00000 -0.00184 -0.00000 0.00000 -0.00000 229 14PY -0.02250 -0.00000 0.00301 0.00447 -0.11372 230 14PZ -0.01438 0.00000 0.00410 0.00393 -0.00984 231 15PX 0.00000 -0.00504 -0.00000 0.00000 -0.00000 232 15PY -0.05235 -0.00000 0.00692 0.01054 -0.26355 233 15PZ -0.03404 0.00000 0.01033 0.00747 -0.02474 234 16PX 0.00000 -0.00036 -0.00000 0.00000 -0.00000 235 16PY -0.03361 -0.00000 0.00484 0.00683 -0.17065 236 16PZ -0.02182 0.00000 0.00786 -0.00060 -0.01744 237 17D 0 -0.00974 0.00000 0.01110 0.00220 0.01956 238 17D+1 -0.00000 -0.00213 -0.00000 0.00000 -0.00000 239 17D-1 -0.04983 -0.00000 0.01031 0.01380 -0.07252 240 17D+2 0.00150 0.00000 0.00459 -0.00678 -0.04390 241 17D-2 0.00000 -0.00018 -0.00000 -0.00000 0.00000 242 18D 0 -0.00358 0.00000 0.00389 0.00099 0.00646 243 18D+1 -0.00000 -0.00095 -0.00000 0.00000 -0.00000 244 18D-1 -0.01737 -0.00000 0.00359 0.00478 -0.02536 245 18D+2 0.00053 0.00000 0.00160 -0.00233 -0.01517 246 18D-2 0.00000 -0.00010 -0.00000 -0.00000 0.00000 247 19D 0 0.00035 0.00000 0.00054 -0.00088 0.00214 248 19D+1 -0.00000 0.00020 -0.00000 0.00000 0.00000 249 19D-1 -0.00205 -0.00000 0.00047 0.00064 -0.00082 250 19D+2 0.00007 0.00000 0.00024 -0.00041 -0.00248 251 19D-2 0.00000 0.00007 -0.00000 -0.00000 -0.00000 252 20D 0 0.00163 0.00000 0.00007 -0.00079 0.00220 253 20D+1 -0.00000 -0.00127 -0.00000 0.00000 0.00000 254 20D-1 0.00137 -0.00000 -0.00017 -0.00033 0.01213 255 20D+2 0.00005 0.00000 0.00014 -0.00008 -0.00087 256 20D-2 -0.00000 -0.00014 0.00000 0.00000 -0.00000 257 10 H 1S 0.04857 -0.00000 0.04523 0.03848 0.09038 258 2S 0.06737 -0.00000 0.06857 0.05636 0.14223 259 3S 0.00777 -0.00000 0.02448 0.02898 0.06777 260 4PX -0.00000 0.00742 0.00000 -0.00000 -0.00000 261 4PY -0.00849 0.00000 -0.00451 -0.00538 -0.01059 262 4PZ -0.00422 -0.00000 -0.00397 0.00024 -0.00296 263 11 H 1S -0.00701 -0.00000 -0.01056 0.01005 -0.05669 264 2S -0.01276 -0.00000 -0.01782 0.01755 -0.08507 265 3S -0.00601 -0.00000 -0.01303 0.01787 -0.02303 266 4PX 0.00000 0.00445 0.00000 -0.00000 0.00000 267 4PY 0.00114 0.00000 0.00098 -0.00105 0.00647 268 4PZ 0.00047 -0.00000 -0.00015 -0.00189 -0.00830 269 12 H 1S 0.00336 0.00000 0.00253 -0.01020 0.06243 270 2S 0.00343 0.00000 0.00469 -0.01792 0.09396 271 3S 0.00308 0.00000 0.00153 -0.01556 0.02049 272 4PX 0.00000 -0.00112 -0.00000 0.00000 -0.00000 273 4PY -0.00024 -0.00000 0.00033 0.00035 0.00370 274 4PZ -0.00021 0.00000 0.00058 -0.00063 0.00954 275 13 H 1S 0.00844 0.00000 -0.00307 -0.00237 -0.02264 276 2S 0.01252 -0.00000 -0.00355 -0.00152 -0.02742 277 3S 0.00479 -0.00000 -0.00066 0.00170 0.01653 278 4PX 0.00000 -0.00390 -0.00000 0.00000 -0.00000 279 4PY 0.00087 -0.00000 -0.00026 0.00020 -0.00607 280 4PZ 0.00014 0.00000 0.00039 -0.00052 -0.00080 96 97 98 99 100 96 5PX 0.00848 97 5PY 0.00000 0.05681 98 5PZ -0.00000 -0.06928 0.12659 99 6D 0 -0.00000 0.00046 0.00130 0.00068 100 6D+1 -0.00003 -0.00000 -0.00000 -0.00000 0.00019 101 6D-1 0.00000 -0.00015 -0.00044 -0.00006 0.00000 102 6D+2 -0.00000 -0.00030 0.00029 0.00022 -0.00000 103 6D-2 -0.00074 -0.00000 0.00000 -0.00000 -0.00004 104 7D 0 -0.00000 -0.00466 0.00803 0.00081 -0.00000 105 7D+1 0.00075 0.00000 -0.00000 -0.00000 0.00053 106 7D-1 0.00000 0.00332 -0.00586 -0.00047 0.00000 107 7D+2 -0.00000 -0.00239 0.00385 0.00044 -0.00000 108 7D-2 -0.00134 -0.00000 0.00000 -0.00000 -0.00025 109 5 C 1S 0.00000 0.01388 -0.00904 0.00021 -0.00000 110 2S 0.00000 0.01962 -0.01569 0.00033 0.00000 111 2PX 0.01803 0.00000 -0.00000 -0.00000 0.00140 112 2PY -0.00000 -0.00185 0.02006 0.00024 -0.00000 113 2PZ -0.00000 -0.02877 0.04488 0.00373 -0.00000 114 3S -0.00000 -0.04436 0.04373 -0.00127 0.00000 115 3PX 0.02759 0.00000 -0.00000 -0.00000 0.00210 116 3PY -0.00000 -0.00240 0.02699 0.00034 -0.00000 117 3PZ -0.00000 -0.04295 0.06691 0.00544 -0.00000 118 4S -0.00000 -0.03853 0.05388 0.00333 -0.00000 119 4PX 0.02249 0.00000 -0.00000 -0.00000 0.00194 120 4PY -0.00000 -0.00388 0.02231 0.00070 -0.00000 121 4PZ -0.00000 -0.02734 0.04319 0.00366 -0.00000 122 5S 0.00000 0.22734 -0.22385 -0.00125 0.00000 123 5PX -0.00233 0.00000 -0.00000 -0.00000 0.00018 124 5PY 0.00000 0.06493 -0.08921 0.00308 -0.00000 125 5PZ 0.00000 0.01864 -0.02346 0.00164 -0.00000 126 6D 0 -0.00000 0.00007 0.00061 0.00012 -0.00000 127 6D+1 -0.00079 -0.00000 -0.00000 -0.00000 -0.00003 128 6D-1 -0.00000 -0.00029 -0.00141 -0.00016 0.00000 129 6D+2 -0.00000 -0.00012 0.00120 0.00023 -0.00000 130 6D-2 0.00073 0.00000 0.00000 0.00000 -0.00012 131 7D 0 -0.00000 -0.00379 0.00720 0.00073 -0.00000 132 7D+1 -0.00026 0.00000 -0.00000 -0.00000 0.00007 133 7D-1 -0.00000 -0.00185 0.00212 -0.00035 0.00000 134 7D+2 -0.00000 -0.00194 0.00436 0.00038 -0.00000 135 7D-2 0.00248 0.00000 -0.00000 0.00000 -0.00040 136 6 C 1S -0.00000 0.01100 0.01221 0.00052 -0.00000 137 2S -0.00000 0.01032 0.01915 0.00090 -0.00000 138 2PX 0.00154 -0.00000 0.00000 -0.00000 0.00210 139 2PY 0.00000 0.00187 0.00021 -0.00212 0.00000 140 2PZ 0.00000 0.00921 -0.03262 -0.00093 -0.00000 141 3S 0.00000 -0.00600 -0.05348 -0.00282 0.00000 142 3PX 0.00255 -0.00000 0.00000 -0.00000 0.00318 143 3PY 0.00000 0.00323 -0.00267 -0.00310 0.00000 144 3PZ 0.00000 0.01334 -0.04576 -0.00125 -0.00000 145 4S -0.00000 -0.01427 -0.00574 -0.00153 0.00000 146 4PX 0.00138 -0.00000 0.00000 -0.00000 0.00297 147 4PY 0.00000 0.00177 0.00089 -0.00204 0.00000 148 4PZ 0.00000 0.01562 -0.03809 -0.00110 -0.00000 149 5S 0.00000 0.03636 -0.07285 -0.00074 0.00000 150 5PX 0.00239 -0.00000 0.00000 -0.00000 0.00096 151 5PY 0.00000 -0.00259 -0.00664 0.00166 -0.00000 152 5PZ 0.00000 0.00664 -0.02325 0.00305 -0.00000 153 6D 0 -0.00000 -0.00166 0.00305 0.00014 -0.00000 154 6D+1 0.00096 0.00000 -0.00000 -0.00000 0.00003 155 6D-1 -0.00000 -0.00063 0.00057 -0.00008 0.00000 156 6D+2 -0.00000 -0.00068 0.00266 0.00014 -0.00000 157 6D-2 0.00071 0.00000 -0.00000 0.00000 0.00005 158 7D 0 -0.00000 -0.00587 0.00968 0.00061 -0.00000 159 7D+1 0.00306 0.00000 -0.00000 -0.00000 0.00016 160 7D-1 -0.00000 -0.00597 0.00733 0.00035 -0.00000 161 7D+2 -0.00000 -0.00275 0.00329 0.00026 -0.00000 162 7D-2 0.00245 0.00000 -0.00000 -0.00000 0.00007 163 7 H 1S 0.00000 0.00385 -0.02774 0.00034 -0.00000 164 2S 0.00000 0.00363 -0.03799 0.00057 -0.00000 165 3S 0.00000 0.01047 -0.02043 -0.00048 0.00000 166 4PX 0.00014 -0.00000 -0.00000 0.00000 0.00020 167 4PY 0.00000 -0.00019 -0.00384 -0.00001 0.00000 168 4PZ -0.00000 0.00048 0.00055 -0.00008 -0.00000 169 8 Mg 1S 0.00000 0.00304 -0.00160 0.00026 -0.00000 170 2S 0.00000 0.00826 -0.00469 0.00073 -0.00000 171 3S -0.00000 -0.01440 0.00601 -0.00192 0.00000 172 4S 0.00000 0.00013 -0.01250 -0.00257 0.00000 173 5S -0.00000 -0.09795 0.13319 0.00621 -0.00000 174 6S -0.00000 -0.06568 0.06950 -0.00020 -0.00000 175 7S 0.00000 0.00366 -0.00442 -0.00010 0.00000 176 7PX -0.00024 0.00000 -0.00000 -0.00000 -0.00003 177 7PY -0.00000 -0.00059 0.00111 -0.00000 -0.00000 178 7PZ -0.00000 -0.00443 0.00557 0.00016 -0.00000 179 8PX -0.00501 0.00000 -0.00000 -0.00000 -0.00018 180 8PY 0.00000 0.08348 -0.11277 0.00004 -0.00000 181 8PZ 0.00000 -0.01322 -0.01284 0.00095 -0.00000 182 9PX -0.00687 0.00000 -0.00000 -0.00000 -0.00024 183 9PY 0.00000 0.11381 -0.15386 0.00005 -0.00000 184 9PZ 0.00000 -0.01781 -0.01757 0.00129 -0.00000 185 10PX 0.00215 0.00000 0.00000 0.00000 0.00027 186 10PY 0.00000 0.00592 -0.00183 -0.00003 0.00000 187 10PZ 0.00000 0.00112 -0.00969 -0.00167 0.00000 188 11PX 0.00418 -0.00000 0.00000 0.00000 0.00046 189 11PY -0.00000 -0.00907 0.01675 -0.00028 0.00000 190 11PZ 0.00000 0.01474 -0.01724 -0.00105 0.00000 191 12PX 0.00192 -0.00000 0.00000 0.00000 0.00004 192 12PY 0.00000 -0.00077 -0.00208 -0.00034 0.00000 193 12PZ 0.00000 0.05056 -0.05949 -0.00041 0.00000 194 13D 0 -0.00000 -0.01023 0.01268 0.00035 -0.00000 195 13D+1 -0.00212 0.00000 -0.00000 -0.00000 -0.00018 196 13D-1 -0.00000 -0.00184 0.00495 0.00005 -0.00000 197 13D+2 0.00000 0.00013 0.00001 0.00003 0.00000 198 13D-2 0.00013 0.00000 -0.00000 -0.00000 -0.00002 199 14D 0 -0.00000 -0.01559 0.01999 0.00065 -0.00000 200 14D+1 -0.00332 0.00000 -0.00000 -0.00000 -0.00024 201 14D-1 -0.00000 -0.00304 0.01058 0.00020 -0.00000 202 14D+2 0.00000 -0.00098 0.00155 0.00010 0.00000 203 14D-2 0.00043 0.00000 -0.00000 -0.00000 -0.00007 204 9 Br 1S 0.00000 0.00071 -0.00066 0.00001 -0.00000 205 2S 0.00000 0.00229 -0.00212 0.00004 -0.00000 206 3S -0.00000 -0.00629 0.00610 -0.00010 0.00000 207 4S -0.00000 -0.00743 0.00699 -0.00012 0.00000 208 5S 0.00000 0.01380 -0.01230 0.00025 -0.00000 209 6S 0.00000 0.01689 -0.01290 0.00027 -0.00000 210 7S -0.00000 -0.02266 0.00153 -0.00041 0.00000 211 8S 0.00000 0.00418 -0.01992 -0.00109 0.00000 212 9S -0.00000 -0.02439 0.03034 0.00036 -0.00000 213 9PX -0.00069 -0.00000 0.00000 0.00000 0.00001 214 9PY -0.00000 -0.00194 0.00647 0.00009 -0.00000 215 9PZ 0.00000 0.00891 -0.01143 -0.00012 0.00000 216 10PX -0.00014 -0.00000 0.00000 -0.00000 0.00000 217 10PY -0.00000 -0.00154 0.00402 0.00001 -0.00000 218 10PZ 0.00000 0.00146 -0.00197 0.00003 -0.00000 219 11PX -0.00110 -0.00000 0.00000 -0.00000 0.00000 220 11PY -0.00000 -0.01235 0.03242 0.00007 -0.00000 221 11PZ 0.00000 0.01199 -0.01598 0.00027 -0.00000 222 12PX 0.00233 0.00000 -0.00000 0.00000 0.00000 223 12PY 0.00000 0.02456 -0.07023 -0.00018 0.00000 224 12PZ -0.00000 -0.03097 0.03652 -0.00071 0.00000 225 13PX 0.00085 0.00000 -0.00000 0.00000 0.00000 226 13PY 0.00000 0.00906 -0.02575 -0.00006 0.00000 227 13PZ -0.00000 -0.01168 0.01393 -0.00023 0.00000 228 14PX -0.00195 -0.00000 0.00000 -0.00000 -0.00000 229 14PY -0.00000 -0.02087 0.05868 0.00014 -0.00000 230 14PZ 0.00000 0.02546 -0.03061 0.00054 -0.00000 231 15PX -0.00470 -0.00000 0.00000 -0.00000 -0.00001 232 15PY -0.00000 -0.04826 0.13588 0.00034 -0.00000 233 15PZ 0.00000 0.05683 -0.06749 0.00147 -0.00000 234 16PX -0.00219 -0.00000 0.00000 -0.00000 0.00004 235 16PY -0.00000 -0.03150 0.08844 0.00019 -0.00000 236 16PZ 0.00000 0.02603 -0.02974 0.00140 -0.00000 237 17D 0 0.00000 0.00780 -0.00795 -0.00011 0.00000 238 17D+1 0.00186 -0.00000 0.00000 0.00000 -0.00001 239 17D-1 -0.00000 -0.01217 0.03690 0.00007 -0.00000 240 17D+2 0.00000 0.02649 -0.03121 -0.00002 0.00000 241 17D-2 0.00279 0.00000 -0.00000 0.00000 -0.00003 242 18D 0 0.00000 0.00333 -0.00343 -0.00005 0.00000 243 18D+1 0.00057 -0.00000 0.00000 0.00000 -0.00001 244 18D-1 -0.00000 -0.00420 0.01279 0.00003 -0.00000 245 18D+2 0.00000 0.00918 -0.01082 -0.00001 0.00000 246 18D-2 0.00096 0.00000 -0.00000 0.00000 -0.00001 247 19D 0 -0.00000 -0.00229 0.00270 0.00004 -0.00000 248 19D+1 0.00023 -0.00000 0.00000 -0.00000 0.00000 249 19D-1 -0.00000 -0.00020 0.00063 -0.00000 0.00000 250 19D+2 0.00000 0.00145 -0.00169 0.00000 -0.00000 251 19D-2 0.00017 0.00000 -0.00000 -0.00000 -0.00000 252 20D 0 -0.00000 -0.00311 0.00367 -0.00005 0.00000 253 20D+1 -0.00020 0.00000 -0.00000 0.00000 -0.00004 254 20D-1 0.00000 0.00234 -0.00651 -0.00001 -0.00000 255 20D+2 0.00000 0.00063 -0.00076 -0.00000 0.00000 256 20D-2 0.00003 0.00000 0.00000 0.00000 0.00000 257 10 H 1S -0.00000 -0.00293 0.00452 -0.00202 0.00000 258 2S -0.00000 -0.00789 0.00946 -0.00314 0.00000 259 3S 0.00000 -0.00151 -0.00528 -0.00314 0.00000 260 4PX 0.00197 0.00000 -0.00000 0.00000 -0.00010 261 4PY 0.00000 0.00063 -0.00156 0.00018 -0.00000 262 4PZ -0.00000 -0.00052 0.00007 -0.00017 -0.00000 263 11 H 1S 0.00000 0.01058 -0.00515 -0.00071 -0.00000 264 2S 0.00000 0.01774 -0.01086 -0.00140 -0.00000 265 3S 0.00000 0.00794 -0.00855 -0.00175 0.00000 266 4PX 0.00068 -0.00000 -0.00000 -0.00000 -0.00029 267 4PY -0.00000 -0.00101 0.00013 0.00005 -0.00000 268 4PZ 0.00000 0.00149 -0.00058 0.00026 -0.00000 269 12 H 1S 0.00000 -0.00659 -0.01238 0.00032 -0.00000 270 2S 0.00000 -0.01211 -0.01571 0.00071 -0.00000 271 3S 0.00000 -0.00109 -0.00574 0.00115 -0.00000 272 4PX -0.00086 0.00000 0.00000 0.00000 -0.00023 273 4PY -0.00000 -0.00091 0.00090 -0.00004 -0.00000 274 4PZ 0.00000 -0.00158 -0.00119 -0.00003 0.00000 275 13 H 1S -0.00000 0.00650 0.00581 -0.00025 0.00000 276 2S 0.00000 0.01134 0.00573 -0.00066 0.00000 277 3S 0.00000 0.00444 -0.00527 -0.00075 0.00000 278 4PX -0.00117 0.00000 -0.00000 -0.00000 0.00001 279 4PY -0.00000 0.00138 0.00063 -0.00006 0.00000 280 4PZ -0.00000 -0.00026 0.00162 0.00004 -0.00000 101 102 103 104 105 101 6D-1 0.00064 102 6D+2 0.00003 0.00032 103 6D-2 -0.00000 -0.00000 0.00010 104 7D 0 -0.00025 0.00043 -0.00000 0.00281 105 7D+1 0.00000 -0.00000 -0.00021 -0.00000 0.00162 106 7D-1 0.00085 -0.00018 -0.00000 -0.00239 0.00000 107 7D+2 -0.00007 0.00026 -0.00000 0.00139 -0.00000 108 7D-2 -0.00000 0.00000 0.00025 0.00000 -0.00089 109 5 C 1S 0.00182 0.00102 -0.00000 -0.00199 0.00000 110 2S 0.00285 0.00152 -0.00000 -0.00342 0.00000 111 2PX 0.00000 -0.00000 -0.00247 -0.00000 0.00595 112 2PY -0.00475 -0.00155 0.00000 0.00221 -0.00000 113 2PZ 0.00057 0.00330 -0.00000 0.01427 -0.00000 114 3S -0.00760 -0.00394 0.00000 0.00891 -0.00000 115 3PX 0.00000 -0.00000 -0.00379 -0.00000 0.00901 116 3PY -0.00658 -0.00211 0.00000 0.00311 -0.00000 117 3PZ 0.00082 0.00482 -0.00000 0.02104 -0.00000 118 4S -0.00521 0.00067 0.00000 0.01783 -0.00000 119 4PX 0.00000 -0.00000 -0.00305 -0.00000 0.00798 120 4PY -0.00464 -0.00093 0.00000 0.00165 0.00000 121 4PZ -0.00082 0.00261 0.00000 0.01471 -0.00000 122 5S 0.00172 0.00009 -0.00000 -0.03033 0.00000 123 5PX -0.00000 -0.00000 0.00039 -0.00000 0.00023 124 5PY -0.00244 0.00173 0.00000 0.00029 -0.00000 125 5PZ 0.00022 0.00108 -0.00000 0.00351 -0.00000 126 6D 0 -0.00006 0.00007 -0.00000 0.00009 0.00000 127 6D+1 0.00000 -0.00000 0.00012 -0.00000 -0.00018 128 6D-1 0.00047 0.00011 -0.00000 -0.00025 0.00000 129 6D+2 0.00011 0.00026 -0.00000 0.00044 -0.00000 130 6D-2 -0.00000 -0.00000 -0.00000 0.00000 -0.00028 131 7D 0 -0.00044 0.00036 -0.00000 0.00225 -0.00000 132 7D+1 0.00000 -0.00000 0.00005 -0.00000 0.00015 133 7D-1 0.00021 -0.00005 0.00000 -0.00022 0.00000 134 7D+2 -0.00024 0.00035 -0.00000 0.00128 -0.00000 135 7D-2 -0.00000 0.00000 -0.00001 -0.00000 -0.00094 136 6 C 1S -0.00042 0.00040 0.00000 0.00354 -0.00000 137 2S -0.00074 0.00053 0.00000 0.00449 -0.00000 138 2PX 0.00000 -0.00000 -0.00169 0.00000 0.00647 139 2PY 0.00148 -0.00123 -0.00000 -0.00388 0.00000 140 2PZ 0.00094 -0.00048 0.00000 -0.00381 -0.00000 141 3S 0.00240 -0.00112 -0.00000 -0.00916 0.00000 142 3PX 0.00000 -0.00000 -0.00261 0.00000 0.00982 143 3PY 0.00206 -0.00172 -0.00000 -0.00578 0.00000 144 3PZ 0.00138 -0.00066 0.00000 -0.00530 -0.00000 145 4S -0.00005 -0.00101 0.00000 -0.00463 0.00000 146 4PX 0.00000 -0.00000 -0.00209 0.00000 0.00900 147 4PY 0.00094 -0.00129 -0.00000 -0.00396 0.00000 148 4PZ 0.00117 -0.00074 0.00000 -0.00541 -0.00000 149 5S -0.00316 -0.00282 0.00000 -0.00862 0.00000 150 5PX 0.00000 -0.00000 -0.00071 -0.00000 0.00306 151 5PY -0.00063 0.00068 -0.00000 0.00587 -0.00000 152 5PZ -0.00057 0.00266 -0.00000 0.00968 -0.00000 153 6D 0 0.00008 0.00014 -0.00000 0.00061 -0.00000 154 6D+1 0.00000 -0.00000 -0.00005 -0.00000 0.00016 155 6D-1 0.00014 -0.00002 -0.00000 0.00003 -0.00000 156 6D+2 0.00002 0.00011 -0.00000 0.00051 -0.00000 157 6D-2 -0.00000 -0.00000 -0.00010 -0.00000 0.00022 158 7D 0 -0.00003 0.00051 -0.00000 0.00242 -0.00000 159 7D+1 0.00000 -0.00000 -0.00022 -0.00000 0.00075 160 7D-1 -0.00006 0.00032 -0.00000 0.00216 -0.00000 161 7D+2 0.00009 0.00032 -0.00000 0.00122 -0.00000 162 7D-2 0.00000 -0.00000 -0.00026 -0.00000 0.00046 163 7 H 1S -0.00058 0.00017 0.00000 -0.00175 0.00000 164 2S -0.00121 0.00041 0.00000 -0.00159 0.00000 165 3S -0.00126 -0.00069 0.00000 -0.00343 0.00000 166 4PX 0.00000 -0.00000 -0.00015 0.00000 0.00061 167 4PY 0.00003 0.00004 -0.00000 -0.00019 0.00000 168 4PZ 0.00010 -0.00006 0.00000 -0.00013 -0.00000 169 8 Mg 1S -0.00009 0.00019 -0.00000 -0.00019 0.00000 170 2S -0.00023 0.00052 -0.00000 -0.00060 0.00000 171 3S 0.00059 -0.00133 0.00000 0.00053 -0.00000 172 4S 0.00070 -0.00178 0.00000 -0.00293 0.00000 173 5S -0.00120 0.00425 -0.00000 0.02510 -0.00000 174 6S 0.00021 0.00038 -0.00000 0.00500 -0.00000 175 7S 0.00007 0.00000 0.00000 -0.00053 0.00000 176 7PX 0.00000 -0.00000 0.00003 -0.00000 -0.00011 177 7PY 0.00001 0.00004 0.00000 -0.00009 0.00000 178 7PZ -0.00012 0.00009 -0.00000 0.00097 -0.00000 179 8PX 0.00000 -0.00000 0.00020 -0.00000 -0.00042 180 8PY 0.00015 0.00012 -0.00000 -0.00005 0.00000 181 8PZ -0.00037 0.00062 -0.00000 0.00303 -0.00000 182 9PX 0.00000 -0.00000 0.00028 -0.00000 -0.00059 183 9PY 0.00021 0.00016 -0.00000 -0.00007 0.00000 184 9PZ -0.00050 0.00084 -0.00000 0.00413 -0.00000 185 10PX -0.00000 0.00000 -0.00037 0.00000 0.00107 186 10PY -0.00029 -0.00010 0.00000 -0.00028 0.00000 187 10PZ 0.00048 -0.00115 0.00000 -0.00700 0.00000 188 11PX 0.00000 0.00000 -0.00057 0.00000 0.00172 189 11PY 0.00022 -0.00013 -0.00000 -0.00044 0.00000 190 11PZ -0.00026 -0.00089 0.00000 -0.00407 0.00000 191 12PX -0.00000 -0.00000 -0.00031 0.00000 0.00035 192 12PY 0.00030 -0.00004 -0.00000 0.00002 0.00000 193 12PZ 0.00139 0.00079 -0.00000 -0.00585 0.00000 194 13D 0 -0.00019 0.00025 -0.00000 0.00197 -0.00000 195 13D+1 -0.00000 0.00000 0.00026 -0.00000 -0.00074 196 13D-1 0.00020 0.00009 -0.00000 -0.00035 0.00000 197 13D+2 -0.00002 0.00002 -0.00000 0.00004 0.00000 198 13D-2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00005 199 14D 0 -0.00002 0.00057 -0.00000 0.00318 -0.00000 200 14D+1 -0.00000 -0.00000 0.00043 -0.00000 -0.00107 201 14D-1 -0.00023 0.00006 0.00000 -0.00044 -0.00000 202 14D+2 -0.00007 0.00006 -0.00000 0.00033 0.00000 203 14D-2 0.00000 -0.00000 -0.00000 -0.00000 -0.00017 204 9 Br 1S 0.00000 0.00001 -0.00000 0.00001 -0.00000 205 2S 0.00000 0.00003 -0.00000 0.00004 -0.00000 206 3S -0.00000 -0.00008 0.00000 -0.00005 0.00000 207 4S 0.00000 -0.00010 0.00000 -0.00010 0.00000 208 5S -0.00001 0.00021 -0.00000 0.00026 -0.00000 209 6S 0.00001 0.00022 -0.00000 0.00044 -0.00000 210 7S -0.00007 -0.00024 0.00000 -0.00251 0.00000 211 8S 0.00028 -0.00077 0.00000 -0.00546 0.00000 212 9S -0.00122 -0.00091 0.00000 0.00310 -0.00000 213 9PX -0.00000 -0.00000 0.00008 0.00000 -0.00006 214 9PY -0.00008 -0.00001 0.00000 -0.00022 0.00000 215 9PZ 0.00042 0.00027 -0.00000 -0.00111 0.00000 216 10PX 0.00000 -0.00000 0.00000 -0.00000 -0.00002 217 10PY -0.00001 0.00000 0.00000 -0.00014 0.00000 218 10PZ -0.00001 0.00002 -0.00000 0.00013 -0.00000 219 11PX 0.00000 -0.00000 0.00002 -0.00000 -0.00015 220 11PY -0.00005 0.00001 0.00000 -0.00112 0.00000 221 11PZ -0.00008 0.00017 -0.00000 0.00101 -0.00000 222 12PX -0.00000 0.00000 -0.00004 0.00000 0.00037 223 12PY 0.00012 -0.00002 -0.00000 0.00293 -0.00000 224 12PZ 0.00021 -0.00047 0.00000 -0.00208 0.00000 225 13PX -0.00000 0.00000 -0.00001 0.00000 0.00014 226 13PY 0.00004 -0.00001 -0.00000 0.00106 -0.00000 227 13PZ 0.00006 -0.00016 0.00000 -0.00063 0.00000 228 14PX 0.00000 -0.00000 0.00003 -0.00000 -0.00031 229 14PY -0.00009 0.00002 0.00000 -0.00237 0.00000 230 14PZ -0.00014 0.00036 -0.00000 0.00153 -0.00000 231 15PX 0.00000 -0.00000 0.00011 -0.00000 -0.00076 232 15PY -0.00023 0.00004 0.00000 -0.00551 0.00000 233 15PZ -0.00043 0.00097 -0.00000 0.00469 -0.00000 234 16PX 0.00000 -0.00000 -0.00006 -0.00000 -0.00026 235 16PY -0.00010 0.00002 -0.00000 -0.00358 0.00000 236 16PZ -0.00044 0.00098 -0.00000 0.00514 -0.00000 237 17D 0 0.00001 -0.00013 0.00000 0.00120 -0.00000 238 17D+1 0.00000 0.00000 -0.00018 -0.00000 0.00006 239 17D-1 -0.00007 0.00001 -0.00000 -0.00295 0.00000 240 17D+2 -0.00003 -0.00005 0.00000 0.00089 -0.00000 241 17D-2 0.00000 0.00000 0.00001 0.00000 0.00003 242 18D 0 0.00001 -0.00005 0.00000 0.00036 -0.00000 243 18D+1 0.00000 0.00000 -0.00005 -0.00000 -0.00000 244 18D-1 -0.00002 0.00001 -0.00000 -0.00103 0.00000 245 18D+2 -0.00001 -0.00002 0.00000 0.00030 -0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00001 247 19D 0 -0.00001 0.00002 0.00000 0.00024 -0.00000 248 19D+1 0.00000 -0.00000 -0.00002 -0.00000 0.00003 249 19D-1 -0.00000 -0.00000 -0.00000 -0.00010 0.00000 250 19D+2 -0.00000 -0.00000 0.00000 0.00006 -0.00000 251 19D-2 0.00000 -0.00000 0.00000 -0.00000 -0.00001 252 20D 0 0.00006 -0.00003 -0.00000 -0.00029 0.00000 253 20D+1 -0.00000 0.00000 0.00006 0.00000 -0.00013 254 20D-1 0.00001 0.00001 0.00000 0.00022 -0.00000 255 20D+2 0.00001 -0.00000 -0.00000 0.00001 0.00000 256 20D-2 -0.00000 0.00000 0.00000 -0.00000 0.00001 257 10 H 1S 0.00449 -0.00295 -0.00000 -0.00228 0.00000 258 2S 0.00680 -0.00413 -0.00000 -0.00254 0.00000 259 3S 0.00393 -0.00155 -0.00000 -0.00525 0.00000 260 4PX 0.00000 0.00000 -0.00016 0.00000 -0.00009 261 4PY -0.00033 0.00047 0.00000 0.00006 0.00000 262 4PZ -0.00034 0.00009 0.00000 -0.00014 0.00000 263 11 H 1S -0.00308 -0.00016 0.00000 0.00053 -0.00000 264 2S -0.00469 -0.00028 0.00000 -0.00009 -0.00000 265 3S -0.00243 -0.00066 0.00000 -0.00179 0.00000 266 4PX 0.00000 0.00000 0.00000 -0.00000 -0.00076 267 4PY 0.00026 -0.00001 -0.00000 -0.00011 -0.00000 268 4PZ -0.00024 0.00009 0.00000 0.00032 0.00000 269 12 H 1S -0.00072 0.00014 0.00000 0.00021 -0.00000 270 2S -0.00119 0.00043 0.00000 0.00129 -0.00000 271 3S -0.00077 0.00045 -0.00000 0.00103 -0.00000 272 4PX -0.00000 0.00000 0.00008 0.00000 -0.00073 273 4PY 0.00012 -0.00001 -0.00000 0.00003 -0.00000 274 4PZ -0.00003 0.00002 -0.00000 0.00007 0.00000 275 13 H 1S 0.00041 -0.00023 -0.00000 -0.00042 0.00000 276 2S 0.00093 -0.00045 -0.00000 -0.00143 0.00000 277 3S 0.00113 -0.00044 -0.00000 -0.00181 0.00000 278 4PX -0.00000 -0.00000 0.00001 -0.00000 -0.00005 279 4PY 0.00002 -0.00003 0.00000 -0.00010 0.00000 280 4PZ 0.00003 0.00003 -0.00000 0.00019 -0.00000 106 107 108 109 110 106 7D-1 0.00357 107 7D+2 -0.00114 0.00092 108 7D-2 -0.00000 0.00000 0.00077 109 5 C 1S 0.01154 0.00070 -0.00000 0.65883 110 2S 0.01306 0.00039 -0.00000 0.56051 0.49002 111 2PX 0.00000 -0.00000 -0.00635 0.00000 0.00000 112 2PY -0.00435 0.00203 -0.00000 -0.00000 -0.00000 113 2PZ -0.01136 0.00808 0.00000 -0.00226 -0.00347 114 3S -0.01872 0.00055 0.00000 -0.07593 -0.13808 115 3PX 0.00000 -0.00000 -0.00971 0.00000 0.00000 116 3PY -0.00594 0.00285 -0.00000 -0.00000 -0.00000 117 3PZ -0.01680 0.01185 0.00000 -0.00572 -0.00738 118 4S -0.02202 0.00720 0.00000 -0.08612 -0.12205 119 4PX 0.00000 -0.00000 -0.00793 0.00000 0.00000 120 4PY -0.00393 0.00176 -0.00000 -0.00000 -0.00000 121 4PZ -0.01336 0.00745 0.00000 -0.02251 -0.03345 122 5S 0.02975 -0.01395 -0.00000 0.13070 0.17119 123 5PX 0.00000 -0.00000 0.00079 0.00000 0.00000 124 5PY -0.00319 0.00002 0.00000 -0.00000 -0.00000 125 5PZ -0.00322 0.00303 0.00000 -0.00503 -0.00588 126 6D 0 0.00002 0.00002 -0.00000 0.00061 0.00054 127 6D+1 -0.00000 -0.00000 0.00028 -0.00000 -0.00000 128 6D-1 0.00039 -0.00025 -0.00000 0.00000 0.00000 129 6D+2 -0.00010 0.00031 -0.00000 0.00105 0.00231 130 6D-2 -0.00000 0.00000 0.00013 -0.00000 -0.00000 131 7D 0 -0.00224 0.00103 0.00000 -0.00939 -0.01093 132 7D+1 0.00000 -0.00000 0.00008 0.00000 0.00000 133 7D-1 0.00017 -0.00019 -0.00000 -0.00000 -0.00000 134 7D+2 -0.00118 0.00062 0.00000 -0.00255 -0.00291 135 7D-2 0.00000 0.00000 0.00045 0.00000 0.00000 136 6 C 1S -0.00042 0.00126 -0.00000 0.00495 0.00764 137 2S -0.00166 0.00227 -0.00000 0.00766 0.01167 138 2PX 0.00000 -0.00000 -0.00607 0.00000 -0.00000 139 2PY 0.00274 -0.00410 -0.00000 -0.01579 -0.02527 140 2PZ 0.00179 -0.00184 0.00000 -0.00944 -0.01515 141 3S 0.00790 -0.00720 -0.00000 -0.01843 -0.02820 142 3PX 0.00000 -0.00000 -0.00930 0.00000 0.00000 143 3PY 0.00395 -0.00592 -0.00000 -0.02504 -0.03771 144 3PZ 0.00250 -0.00256 0.00000 -0.01615 -0.02374 145 4S 0.00253 -0.00348 0.00000 -0.01170 -0.01901 146 4PX 0.00000 -0.00000 -0.00781 0.00000 -0.00000 147 4PY 0.00252 -0.00337 -0.00000 -0.00970 -0.01616 148 4PZ 0.00424 -0.00253 0.00000 -0.00713 -0.00717 149 5S -0.00400 -0.00024 0.00000 -0.03673 -0.03766 150 5PX 0.00000 -0.00000 -0.00245 0.00000 0.00000 151 5PY -0.00597 0.00275 -0.00000 -0.01388 -0.01962 152 5PZ -0.00733 0.00329 0.00000 -0.00904 -0.01569 153 6D 0 -0.00035 0.00026 0.00000 0.00021 0.00033 154 6D+1 0.00000 -0.00000 -0.00007 -0.00000 -0.00000 155 6D-1 -0.00006 -0.00009 0.00000 -0.00182 -0.00285 156 6D+2 -0.00032 0.00032 0.00000 0.00102 0.00152 157 6D-2 0.00000 -0.00000 -0.00026 0.00000 0.00000 158 7D 0 -0.00216 0.00122 0.00000 -0.00199 -0.00342 159 7D+1 0.00000 -0.00000 -0.00046 -0.00000 -0.00000 160 7D-1 -0.00224 0.00109 0.00000 -0.01154 -0.01306 161 7D+2 -0.00109 0.00068 0.00000 0.00070 0.00039 162 7D-2 0.00000 -0.00000 -0.00057 0.00000 0.00000 163 7 H 1S 0.00108 0.00014 0.00000 0.00451 0.00768 164 2S 0.00009 0.00082 0.00000 0.00341 0.00773 165 3S 0.00213 -0.00109 0.00000 0.00958 0.01298 166 4PX 0.00000 -0.00000 -0.00054 0.00000 0.00000 167 4PY 0.00003 -0.00002 -0.00000 -0.00131 -0.00126 168 4PZ 0.00012 -0.00016 0.00000 -0.00097 -0.00125 169 8 Mg 1S 0.00045 -0.00021 -0.00000 -0.00131 -0.00208 170 2S 0.00115 -0.00051 -0.00000 -0.00359 -0.00565 171 3S -0.00147 0.00048 0.00000 0.00963 0.01486 172 4S 0.00151 -0.00122 0.00000 0.01084 0.01787 173 5S -0.02095 0.01220 0.00000 -0.02258 -0.03859 174 6S -0.00398 0.00215 0.00000 0.00802 0.00577 175 7S 0.00053 -0.00019 -0.00000 0.00223 0.00277 176 7PX 0.00000 -0.00000 0.00009 0.00000 0.00000 177 7PY 0.00006 -0.00003 0.00000 -0.00000 -0.00000 178 7PZ -0.00100 0.00043 0.00000 -0.00235 -0.00338 179 8PX 0.00000 -0.00000 0.00067 0.00000 0.00000 180 8PY 0.00000 -0.00058 0.00000 -0.00000 -0.00000 181 8PZ -0.00299 0.00123 0.00000 -0.00629 -0.00993 182 9PX 0.00000 -0.00000 0.00092 0.00000 0.00000 183 9PY 0.00000 -0.00079 0.00000 -0.00000 -0.00000 184 9PZ -0.00407 0.00168 0.00000 -0.00820 -0.01319 185 10PX -0.00000 0.00000 -0.00099 -0.00000 -0.00000 186 10PY -0.00015 -0.00006 -0.00000 0.00000 0.00000 187 10PZ 0.00696 -0.00384 -0.00000 0.00680 0.01277 188 11PX -0.00000 0.00000 -0.00155 0.00000 0.00000 189 11PY 0.00031 -0.00015 -0.00000 -0.00000 -0.00000 190 11PZ 0.00300 -0.00231 0.00000 -0.00385 -0.00416 191 12PX -0.00000 0.00000 -0.00072 -0.00000 -0.00000 192 12PY 0.00027 -0.00012 -0.00000 0.00000 0.00000 193 12PZ 0.00635 -0.00125 -0.00000 0.04167 0.05383 194 13D 0 -0.00179 0.00085 -0.00000 -0.00189 -0.00427 195 13D+1 0.00000 0.00000 0.00067 0.00000 0.00000 196 13D-1 0.00030 -0.00013 0.00000 -0.00000 -0.00000 197 13D+2 -0.00003 0.00002 -0.00000 -0.00001 -0.00002 198 13D-2 0.00000 -0.00000 0.00002 0.00000 0.00000 199 14D 0 -0.00251 0.00158 -0.00000 0.00507 0.00337 200 14D+1 -0.00000 -0.00000 0.00110 -0.00000 -0.00000 201 14D-1 0.00005 -0.00001 0.00000 0.00000 0.00000 202 14D+2 -0.00031 0.00015 -0.00000 -0.00083 -0.00115 203 14D-2 0.00000 -0.00000 0.00008 -0.00000 -0.00000 204 9 Br 1S -0.00008 0.00002 0.00000 -0.00003 -0.00004 205 2S -0.00026 0.00008 0.00000 -0.00010 -0.00014 206 3S 0.00065 -0.00016 -0.00000 0.00028 0.00038 207 4S 0.00082 -0.00022 -0.00000 0.00031 0.00048 208 5S -0.00161 0.00045 0.00000 -0.00059 -0.00101 209 6S -0.00198 0.00074 0.00000 -0.00088 -0.00105 210 7S 0.00431 -0.00280 -0.00000 0.00143 0.00112 211 8S 0.00599 -0.00340 -0.00000 0.00061 0.00447 212 9S -0.00373 0.00015 0.00000 -0.03909 -0.04833 213 9PX -0.00000 0.00000 0.00018 -0.00000 -0.00000 214 9PY 0.00001 -0.00001 0.00000 0.00000 0.00000 215 9PZ 0.00132 -0.00009 -0.00000 0.01265 0.01582 216 10PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 217 10PY 0.00006 -0.00003 0.00000 -0.00000 -0.00000 218 10PZ -0.00018 0.00011 0.00000 -0.00015 -0.00023 219 11PX 0.00000 -0.00000 -0.00002 0.00000 0.00000 220 11PY 0.00046 -0.00024 0.00000 -0.00000 -0.00000 221 11PZ -0.00144 0.00087 0.00000 -0.00127 -0.00194 222 12PX -0.00000 0.00000 -0.00002 -0.00000 -0.00000 223 12PY -0.00102 0.00062 -0.00000 0.00000 0.00000 224 12PZ 0.00299 -0.00159 -0.00000 0.00329 0.00518 225 13PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 226 13PY -0.00038 0.00023 -0.00000 0.00000 0.00000 227 13PZ 0.00097 -0.00053 -0.00000 0.00126 0.00173 228 14PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 229 14PY 0.00085 -0.00050 0.00000 -0.00000 -0.00000 230 14PZ -0.00230 0.00128 0.00000 -0.00278 -0.00388 231 15PX 0.00000 -0.00000 0.00009 0.00000 0.00000 232 15PY 0.00195 -0.00115 0.00000 -0.00000 -0.00000 233 15PZ -0.00647 0.00352 0.00000 -0.00639 -0.01045 234 16PX 0.00000 -0.00000 -0.00029 0.00000 0.00000 235 16PY 0.00130 -0.00078 0.00000 -0.00000 -0.00000 236 16PZ -0.00600 0.00324 0.00000 -0.00512 -0.00950 237 17D 0 -0.00048 0.00093 -0.00000 0.00004 -0.00002 238 17D+1 0.00000 -0.00000 0.00074 -0.00000 0.00000 239 17D-1 0.00121 -0.00023 0.00000 0.00000 -0.00000 240 17D+2 -0.00002 0.00077 -0.00000 -0.00000 -0.00002 241 17D-2 -0.00000 -0.00000 0.00007 -0.00000 0.00000 242 18D 0 -0.00013 0.00031 -0.00000 0.00016 0.00020 243 18D+1 0.00000 -0.00000 0.00028 -0.00000 -0.00000 244 18D-1 0.00042 -0.00008 0.00000 0.00000 0.00000 245 18D+2 -0.00000 0.00026 -0.00000 0.00003 0.00002 246 18D-2 -0.00000 -0.00000 0.00002 -0.00000 -0.00000 247 19D 0 -0.00011 0.00009 -0.00000 -0.00027 -0.00043 248 19D+1 0.00000 -0.00000 0.00001 0.00000 0.00000 249 19D-1 0.00004 0.00000 0.00000 -0.00000 -0.00000 250 19D+2 -0.00001 0.00005 -0.00000 -0.00004 -0.00005 251 19D-2 0.00000 -0.00000 0.00001 0.00000 0.00000 252 20D 0 0.00052 -0.00020 -0.00000 0.00071 0.00130 253 20D+1 -0.00000 0.00000 0.00020 -0.00000 -0.00000 254 20D-1 -0.00007 0.00006 0.00000 0.00000 0.00000 255 20D+2 0.00001 0.00001 -0.00000 0.00008 0.00010 256 20D-2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 257 10 H 1S 0.00273 -0.00091 -0.00000 0.00451 0.00768 258 2S 0.00327 -0.00080 -0.00000 0.00341 0.00773 259 3S 0.00651 -0.00288 -0.00000 0.00958 0.01298 260 4PX 0.00000 0.00000 -0.00020 0.00000 0.00000 261 4PY 0.00010 -0.00004 -0.00000 0.00131 0.00126 262 4PZ -0.00000 -0.00012 0.00000 -0.00097 -0.00125 263 11 H 1S -0.00596 -0.00225 0.00000 -0.00223 -0.00370 264 2S -0.00835 -0.00364 0.00000 -0.00230 -0.00339 265 3S -0.00321 -0.00178 0.00000 -0.00412 -0.00527 266 4PX 0.00000 0.00000 0.00026 0.00000 0.00000 267 4PY 0.00043 0.00030 -0.00000 -0.00015 -0.00019 268 4PZ -0.00067 0.00000 0.00000 -0.00048 -0.00034 269 12 H 1S -0.00146 0.00144 0.00000 -0.00052 -0.00078 270 2S -0.00326 0.00279 0.00000 -0.00201 -0.00289 271 3S -0.00199 0.00141 0.00000 0.00135 0.00134 272 4PX -0.00000 0.00000 0.00030 0.00000 0.00000 273 4PY 0.00026 0.00000 -0.00000 -0.00000 -0.00000 274 4PZ -0.00011 0.00021 -0.00000 -0.00025 -0.00024 275 13 H 1S 0.00064 0.00024 -0.00000 -0.00223 -0.00370 276 2S 0.00187 -0.00001 -0.00000 -0.00230 -0.00339 277 3S 0.00269 -0.00074 -0.00000 -0.00412 -0.00527 278 4PX 0.00000 -0.00000 -0.00008 0.00000 0.00000 279 4PY -0.00000 -0.00001 0.00000 0.00015 0.00019 280 4PZ -0.00008 0.00014 0.00000 -0.00048 -0.00034 111 112 113 114 115 111 2PX 0.06078 112 2PY 0.00000 0.08752 113 2PZ -0.00000 0.00000 0.09386 114 3S -0.00000 0.00000 0.00273 0.42000 115 3PX 0.09305 0.00000 -0.00000 -0.00000 0.14248 116 3PY 0.00000 0.12152 0.00000 0.00000 0.00000 117 3PZ -0.00000 0.00000 0.13819 0.00567 -0.00000 118 4S -0.00000 0.00000 0.07681 0.27708 -0.00000 119 4PX 0.07548 0.00000 -0.00000 -0.00000 0.11541 120 4PY 0.00000 0.07606 0.00000 0.00000 0.00000 121 4PZ -0.00000 0.00000 0.08945 0.07623 -0.00000 122 5S 0.00000 -0.00000 -0.15111 -0.34829 0.00000 123 5PX -0.00843 -0.00000 -0.00000 -0.00000 -0.01312 124 5PY -0.00000 -0.00367 0.00000 0.00000 -0.00000 125 5PZ -0.00000 0.00000 0.03066 0.00517 -0.00000 126 6D 0 0.00000 0.00000 -0.00006 -0.00023 0.00000 127 6D+1 -0.00275 -0.00000 -0.00000 0.00000 -0.00422 128 6D-1 -0.00000 -0.00825 0.00000 -0.00000 -0.00000 129 6D+2 -0.00000 0.00000 0.00353 -0.00827 -0.00000 130 6D-2 -0.00000 0.00000 0.00000 0.00000 -0.00000 131 7D 0 -0.00000 0.00000 0.00967 0.01679 -0.00000 132 7D+1 -0.00101 -0.00000 -0.00000 -0.00000 -0.00160 133 7D-1 -0.00000 -0.00231 0.00000 0.00000 -0.00000 134 7D+2 -0.00000 0.00000 0.00599 0.00417 -0.00000 135 7D-2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 136 6 C 1S 0.00000 0.01654 0.01096 -0.01796 -0.00000 137 2S -0.00000 0.02665 0.01764 -0.02791 -0.00000 138 2PX 0.04123 0.00000 -0.00000 0.00000 0.06336 139 2PY 0.00000 -0.04934 -0.03181 0.07101 0.00000 140 2PZ -0.00000 -0.03313 -0.01654 0.04315 -0.00000 141 3S 0.00000 -0.07638 -0.05031 0.07041 0.00000 142 3PX 0.06351 0.00000 -0.00000 0.00000 0.09761 143 3PY 0.00000 -0.07034 -0.04599 0.09889 0.00000 144 3PZ -0.00000 -0.04765 -0.02331 0.06095 -0.00000 145 4S 0.00000 -0.02333 -0.02655 0.05181 0.00000 146 4PX 0.05180 0.00000 -0.00000 0.00000 0.07953 147 4PY 0.00000 -0.03063 -0.02821 0.04807 0.00000 148 4PZ -0.00000 -0.02301 -0.02556 0.00902 -0.00000 149 5S 0.00000 0.03062 -0.02581 0.04228 0.00000 150 5PX 0.01803 0.00000 -0.00000 -0.00000 0.02759 151 5PY -0.00000 -0.00185 0.02877 0.04436 -0.00000 152 5PZ -0.00000 -0.02006 0.04488 0.04373 -0.00000 153 6D 0 -0.00000 -0.00024 0.00373 -0.00127 -0.00000 154 6D+1 0.00140 -0.00000 -0.00000 0.00000 0.00210 155 6D-1 -0.00000 -0.00475 -0.00057 0.00760 -0.00000 156 6D+2 -0.00000 0.00155 0.00330 -0.00394 -0.00000 157 6D-2 0.00247 0.00000 -0.00000 -0.00000 0.00379 158 7D 0 -0.00000 -0.00221 0.01427 0.00891 -0.00000 159 7D+1 0.00595 0.00000 -0.00000 0.00000 0.00901 160 7D-1 -0.00000 -0.00435 0.01136 0.01872 -0.00000 161 7D+2 -0.00000 -0.00203 0.00808 0.00055 -0.00000 162 7D-2 0.00635 0.00000 -0.00000 -0.00000 0.00971 163 7 H 1S 0.00000 0.01307 -0.00122 -0.02315 0.00000 164 2S 0.00000 0.02244 0.00425 -0.02924 0.00000 165 3S 0.00000 0.02674 -0.01682 -0.02688 0.00000 166 4PX 0.00363 0.00000 -0.00000 -0.00000 0.00557 167 4PY 0.00000 -0.00153 0.00021 0.00079 0.00000 168 4PZ -0.00000 -0.00205 -0.00123 0.00276 -0.00000 169 8 Mg 1S -0.00000 0.00000 0.00558 0.00507 -0.00000 170 2S -0.00000 0.00000 0.01511 0.01349 -0.00000 171 3S 0.00000 -0.00000 -0.03934 -0.03460 0.00000 172 4S 0.00000 -0.00000 -0.05428 -0.04531 0.00000 173 5S -0.00000 0.00000 0.13845 0.10426 -0.00000 174 6S -0.00000 0.00000 0.02243 0.00742 -0.00000 175 7S 0.00000 -0.00000 -0.00187 -0.00515 0.00000 176 7PX -0.00085 -0.00000 -0.00000 -0.00000 -0.00130 177 7PY -0.00000 -0.00072 0.00000 0.00000 -0.00000 178 7PZ -0.00000 0.00000 0.00465 0.00783 -0.00000 179 8PX -0.00511 -0.00000 -0.00000 -0.00000 -0.00773 180 8PY -0.00000 -0.00286 0.00000 0.00000 -0.00000 181 8PZ -0.00000 0.00000 0.02150 0.02538 -0.00000 182 9PX -0.00709 -0.00000 -0.00000 -0.00000 -0.01073 183 9PY -0.00000 -0.00395 0.00000 0.00000 -0.00000 184 9PZ -0.00000 0.00000 0.02919 0.03440 -0.00000 185 10PX 0.00928 0.00000 0.00000 0.00000 0.01405 186 10PY 0.00000 0.00512 -0.00000 -0.00000 0.00000 187 10PZ 0.00000 -0.00000 -0.04080 -0.03621 0.00000 188 11PX 0.01435 0.00000 0.00000 -0.00000 0.02173 189 11PY 0.00000 -0.00103 -0.00000 0.00000 0.00000 190 11PZ 0.00000 -0.00000 -0.02417 0.00650 0.00000 191 12PX 0.00719 0.00000 0.00000 0.00000 0.01104 192 12PY 0.00000 -0.00275 -0.00000 -0.00000 0.00000 193 12PZ 0.00000 -0.00000 -0.01523 -0.10839 0.00000 194 13D 0 -0.00000 0.00000 0.01102 0.01476 -0.00000 195 13D+1 -0.00648 -0.00000 0.00000 -0.00000 -0.01001 196 13D-1 -0.00000 -0.00411 0.00000 0.00000 -0.00000 197 13D+2 0.00000 0.00000 0.00011 0.00008 0.00000 198 13D-2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 199 14D 0 -0.00000 0.00000 0.01669 0.00429 -0.00000 200 14D+1 -0.01056 -0.00000 -0.00000 -0.00000 -0.01631 201 14D-1 -0.00000 0.00186 0.00000 0.00000 -0.00000 202 14D+2 0.00000 -0.00000 0.00147 0.00251 0.00000 203 14D-2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 204 9 Br 1S -0.00000 0.00000 0.00019 0.00002 -0.00000 205 2S -0.00000 0.00000 0.00061 0.00006 -0.00000 206 3S 0.00000 -0.00000 -0.00163 -0.00018 0.00000 207 4S 0.00000 -0.00000 -0.00217 -0.00044 0.00000 208 5S -0.00000 0.00000 0.00448 0.00114 -0.00000 209 6S -0.00000 0.00000 0.00446 -0.00049 -0.00000 210 7S 0.00000 -0.00000 -0.00644 0.00545 0.00000 211 8S 0.00000 -0.00000 -0.02518 -0.01860 0.00000 212 9S -0.00000 0.00000 0.00324 0.08902 -0.00000 213 9PX -0.00194 -0.00000 0.00000 0.00000 -0.00308 214 9PY -0.00000 0.00087 -0.00000 -0.00000 -0.00000 215 9PZ 0.00000 -0.00000 -0.00151 -0.02987 0.00000 216 10PX -0.00007 -0.00000 -0.00000 -0.00000 -0.00015 217 10PY -0.00000 -0.00002 0.00000 0.00000 -0.00000 218 10PZ -0.00000 0.00000 0.00069 0.00044 -0.00000 219 11PX -0.00057 -0.00000 -0.00000 -0.00000 -0.00127 220 11PY -0.00000 -0.00013 0.00000 0.00000 -0.00000 221 11PZ -0.00000 0.00000 0.00569 0.00367 -0.00000 222 12PX 0.00148 0.00000 0.00000 0.00000 0.00337 223 12PY 0.00000 0.00032 -0.00000 -0.00000 0.00000 224 12PZ 0.00000 -0.00000 -0.01497 -0.01075 0.00000 225 13PX 0.00050 0.00000 0.00000 0.00000 0.00117 226 13PY 0.00000 0.00017 -0.00000 -0.00000 0.00000 227 13PZ 0.00000 -0.00000 -0.00477 -0.00279 0.00000 228 14PX -0.00112 -0.00000 -0.00000 -0.00000 -0.00260 229 14PY -0.00000 -0.00038 0.00000 0.00000 -0.00000 230 14PZ -0.00000 0.00000 0.01099 0.00644 -0.00000 231 15PX -0.00340 -0.00000 -0.00000 -0.00000 -0.00727 232 15PY -0.00000 -0.00051 0.00000 0.00000 -0.00000 233 15PZ -0.00000 0.00000 0.03117 0.02284 -0.00000 234 16PX 0.00102 0.00000 -0.00000 -0.00000 0.00022 235 16PY 0.00000 -0.00102 0.00000 0.00000 -0.00000 236 16PZ -0.00000 0.00000 0.03158 0.02512 -0.00000 237 17D 0 0.00000 -0.00000 -0.00078 0.00059 -0.00000 238 17D+1 0.00047 0.00000 -0.00000 -0.00000 -0.00122 239 17D-1 0.00000 0.00022 -0.00000 0.00000 -0.00000 240 17D+2 -0.00000 -0.00000 0.00006 0.00011 0.00000 241 17D-2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 242 18D 0 0.00000 -0.00000 -0.00057 -0.00030 0.00000 243 18D+1 -0.00008 -0.00000 0.00000 0.00000 -0.00080 244 18D-1 -0.00000 0.00004 -0.00000 -0.00000 -0.00000 245 18D+2 0.00000 -0.00000 0.00001 -0.00001 0.00000 246 18D-2 -0.00000 -0.00000 0.00000 0.00000 -0.00000 247 19D 0 -0.00000 0.00000 0.00090 0.00123 -0.00000 248 19D+1 0.00035 0.00000 -0.00000 -0.00000 0.00045 249 19D-1 0.00000 0.00008 0.00000 0.00000 0.00000 250 19D+2 -0.00000 -0.00000 0.00003 0.00009 -0.00000 251 19D-2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 252 20D 0 0.00000 -0.00000 -0.00180 -0.00362 0.00000 253 20D+1 -0.00156 -0.00000 0.00000 0.00000 -0.00233 254 20D-1 -0.00000 -0.00003 -0.00000 -0.00000 -0.00000 255 20D+2 0.00000 -0.00000 -0.00003 -0.00019 0.00000 256 20D-2 -0.00000 0.00000 0.00000 0.00000 -0.00000 257 10 H 1S -0.00000 -0.01307 -0.00122 -0.02315 -0.00000 258 2S -0.00000 -0.02244 0.00425 -0.02924 -0.00000 259 3S 0.00000 -0.02674 -0.01682 -0.02688 0.00000 260 4PX 0.00363 -0.00000 -0.00000 -0.00000 0.00557 261 4PY 0.00000 -0.00153 -0.00021 -0.00079 0.00000 262 4PZ -0.00000 0.00205 -0.00123 0.00276 -0.00000 263 11 H 1S 0.00000 0.00769 -0.00582 0.01132 0.00000 264 2S 0.00000 0.01356 -0.01234 0.01008 0.00000 265 3S 0.00000 0.01494 -0.01192 0.01168 0.00000 266 4PX -0.00055 -0.00000 0.00000 0.00000 -0.00078 267 4PY -0.00000 -0.00039 0.00059 0.00021 -0.00000 268 4PZ -0.00000 0.00000 0.00083 -0.00040 -0.00000 269 12 H 1S 0.00000 -0.00000 -0.00038 0.00191 0.00000 270 2S -0.00000 0.00000 0.00506 0.00644 -0.00000 271 3S -0.00000 0.00000 0.00258 -0.00196 -0.00000 272 4PX -0.00250 -0.00000 0.00000 -0.00000 -0.00375 273 4PY -0.00000 -0.00041 0.00000 0.00000 -0.00000 274 4PZ 0.00000 0.00000 0.00062 0.00020 0.00000 275 13 H 1S 0.00000 -0.00769 -0.00582 0.01132 0.00000 276 2S 0.00000 -0.01356 -0.01234 0.01008 0.00000 277 3S 0.00000 -0.01494 -0.01192 0.01168 0.00000 278 4PX -0.00055 -0.00000 -0.00000 0.00000 -0.00078 279 4PY -0.00000 -0.00039 -0.00059 -0.00021 -0.00000 280 4PZ -0.00000 -0.00000 0.00083 -0.00040 -0.00000 116 117 118 119 120 116 3PY 0.16885 117 3PZ 0.00000 0.20353 118 4S 0.00000 0.11346 0.26867 119 4PX 0.00000 -0.00000 -0.00000 0.09454 120 4PY 0.10554 0.00000 0.00000 0.00000 0.07142 121 4PZ 0.00000 0.13158 0.13169 -0.00000 0.00000 122 5S -0.00000 -0.22824 -0.20885 0.00000 -0.00000 123 5PX -0.00000 -0.00000 -0.00000 -0.00924 -0.00000 124 5PY -0.00493 0.00000 0.00000 -0.00000 0.00464 125 5PZ 0.00000 0.04360 0.06354 -0.00000 0.00000 126 6D 0 0.00000 -0.00011 0.00068 0.00000 0.00000 127 6D+1 -0.00000 -0.00000 0.00000 -0.00334 -0.00000 128 6D-1 -0.01149 0.00000 -0.00000 -0.00000 -0.00748 129 6D+2 0.00000 0.00515 -0.00189 0.00000 0.00000 130 6D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 131 7D 0 0.00000 0.01421 0.02268 -0.00000 0.00000 132 7D+1 -0.00000 -0.00000 -0.00000 -0.00092 -0.00000 133 7D-1 -0.00331 0.00000 0.00000 -0.00000 -0.00250 134 7D+2 0.00000 0.00881 0.00958 -0.00000 0.00000 135 7D-2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 136 6 C 1S 0.02628 0.01748 0.00167 0.00000 0.01392 137 2S 0.03958 0.02713 0.00013 0.00000 0.02162 138 2PX 0.00000 -0.00000 0.00000 0.04970 0.00000 139 2PY -0.06925 -0.04666 0.03127 0.00000 -0.04982 140 2PZ -0.04565 -0.02354 -0.00307 -0.00000 -0.02189 141 3S -0.10504 -0.07441 0.00416 0.00000 -0.06021 142 3PX 0.00000 -0.00000 0.00000 0.07649 0.00000 143 3PY -0.09866 -0.06746 0.04154 0.00000 -0.07036 144 3PZ -0.06568 -0.03317 -0.00317 -0.00000 -0.03212 145 4S -0.03228 -0.03891 0.00187 0.00000 -0.01194 146 4PX 0.00000 -0.00000 0.00000 0.06302 0.00000 147 4PY -0.04309 -0.04134 0.01253 0.00000 -0.03121 148 4PZ -0.03148 -0.03714 -0.02649 -0.00000 -0.01513 149 5S 0.04085 -0.03805 -0.02352 0.00000 0.04907 150 5PX 0.00000 -0.00000 -0.00000 0.02249 0.00000 151 5PY -0.00240 0.04295 0.03853 -0.00000 -0.00388 152 5PZ -0.02699 0.06691 0.05388 -0.00000 -0.02231 153 6D 0 -0.00034 0.00544 0.00333 -0.00000 -0.00070 154 6D+1 -0.00000 -0.00000 0.00000 0.00194 -0.00000 155 6D-1 -0.00658 -0.00082 0.00521 -0.00000 -0.00464 156 6D+2 0.00211 0.00482 0.00067 -0.00000 0.00093 157 6D-2 0.00000 -0.00000 -0.00000 0.00305 0.00000 158 7D 0 -0.00311 0.02104 0.01783 -0.00000 -0.00165 159 7D+1 0.00000 -0.00000 -0.00000 0.00798 0.00000 160 7D-1 -0.00594 0.01680 0.02202 -0.00000 -0.00393 161 7D+2 -0.00285 0.01185 0.00720 -0.00000 -0.00176 162 7D-2 0.00000 -0.00000 -0.00000 0.00793 0.00000 163 7 H 1S 0.01895 -0.00163 -0.03206 0.00000 0.02114 164 2S 0.03226 0.00653 -0.04000 0.00000 0.03440 165 3S 0.03744 -0.02449 -0.04383 0.00000 0.02869 166 4PX 0.00000 -0.00000 -0.00000 0.00441 0.00000 167 4PY -0.00203 0.00034 -0.00136 0.00000 -0.00013 168 4PZ -0.00290 -0.00178 0.00116 -0.00000 -0.00232 169 8 Mg 1S 0.00000 0.00785 0.01248 -0.00000 0.00000 170 2S 0.00000 0.02128 0.03505 -0.00000 0.00000 171 3S -0.00000 -0.05587 -0.08837 0.00000 -0.00000 172 4S -0.00000 -0.07829 -0.09875 0.00000 -0.00000 173 5S 0.00000 0.20544 0.14073 -0.00000 0.00000 174 6S 0.00000 0.03520 -0.04252 0.00000 -0.00000 175 7S -0.00000 -0.00289 -0.00217 0.00000 -0.00000 176 7PX -0.00000 -0.00000 -0.00000 -0.00106 -0.00000 177 7PY -0.00103 0.00000 0.00000 -0.00000 -0.00013 178 7PZ 0.00000 0.00695 0.00651 -0.00000 0.00000 179 8PX -0.00000 -0.00000 -0.00000 -0.00657 -0.00000 180 8PY -0.00384 0.00000 0.00000 -0.00000 -0.01145 181 8PZ 0.00000 0.03046 0.02949 -0.00000 0.00000 182 9PX -0.00000 -0.00000 -0.00000 -0.00913 -0.00000 183 9PY -0.00532 0.00000 0.00000 -0.00000 -0.01571 184 9PZ 0.00000 0.04137 0.04009 -0.00000 0.00000 185 10PX 0.00000 0.00000 0.00000 0.01233 0.00000 186 10PY 0.00688 -0.00000 -0.00000 0.00000 0.00570 187 10PZ -0.00000 -0.05989 -0.07242 0.00000 -0.00000 188 11PX 0.00000 0.00000 0.00000 0.01898 0.00000 189 11PY -0.00170 -0.00000 -0.00000 0.00000 0.00063 190 11PZ -0.00000 -0.03588 -0.00686 -0.00000 -0.00000 191 12PX 0.00000 0.00000 0.00000 0.00871 0.00000 192 12PY -0.00374 -0.00000 -0.00000 0.00000 -0.00442 193 12PZ -0.00000 -0.02428 -0.04731 0.00000 -0.00000 194 13D 0 0.00000 0.01646 0.01268 -0.00000 0.00000 195 13D+1 -0.00000 0.00000 -0.00000 -0.00770 -0.00000 196 13D-1 -0.00585 0.00000 0.00000 -0.00000 -0.00193 197 13D+2 0.00000 0.00015 0.00052 0.00000 0.00000 198 13D-2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 199 14D 0 0.00000 0.02496 0.00504 -0.00000 0.00000 200 14D+1 -0.00000 -0.00000 -0.00000 -0.01246 -0.00000 201 14D-1 0.00232 0.00000 0.00000 -0.00000 0.00564 202 14D+2 -0.00000 0.00217 0.00311 0.00000 -0.00000 203 14D-2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 204 9 Br 1S 0.00000 0.00025 0.00043 -0.00000 0.00000 205 2S 0.00000 0.00081 0.00143 -0.00000 0.00000 206 3S -0.00000 -0.00216 -0.00324 0.00000 -0.00000 207 4S -0.00000 -0.00291 -0.00424 0.00000 -0.00000 208 5S 0.00000 0.00605 0.00877 -0.00000 0.00000 209 6S 0.00000 0.00581 0.01329 -0.00000 0.00000 210 7S -0.00000 -0.00765 -0.04138 0.00000 -0.00000 211 8S -0.00000 -0.03644 -0.04454 0.00000 -0.00000 212 9S 0.00000 0.00582 0.04805 -0.00000 0.00000 213 9PX -0.00000 0.00000 0.00000 -0.00188 0.00000 214 9PY 0.00106 -0.00000 -0.00000 0.00000 0.00252 215 9PZ -0.00000 -0.00257 -0.01593 0.00000 -0.00000 216 10PX -0.00000 -0.00000 -0.00000 0.00013 0.00000 217 10PY -0.00009 0.00000 0.00000 0.00000 0.00086 218 10PZ 0.00000 0.00095 0.00292 -0.00000 0.00000 219 11PX -0.00000 -0.00000 -0.00000 0.00107 0.00000 220 11PY -0.00079 0.00000 0.00000 0.00000 0.00705 221 11PZ 0.00000 0.00790 0.02371 -0.00000 0.00000 222 12PX 0.00000 0.00000 0.00000 -0.00328 -0.00000 223 12PY 0.00215 -0.00000 -0.00000 -0.00000 -0.01735 224 12PZ -0.00000 -0.02112 -0.05400 0.00000 -0.00000 225 13PX 0.00000 0.00000 0.00000 -0.00121 -0.00000 226 13PY 0.00086 -0.00000 -0.00000 -0.00000 -0.00624 227 13PZ -0.00000 -0.00667 -0.01866 0.00000 -0.00000 228 14PX -0.00000 -0.00000 -0.00000 0.00266 0.00000 229 14PY -0.00190 0.00000 0.00000 0.00000 0.01398 230 14PZ 0.00000 0.01536 0.04231 -0.00000 0.00000 231 15PX -0.00000 -0.00000 -0.00000 0.00527 0.00000 232 15PY -0.00390 0.00000 0.00000 0.00000 0.03292 233 15PZ 0.00000 0.04401 0.10817 -0.00000 0.00000 234 16PX -0.00000 -0.00000 -0.00000 0.00736 0.00000 235 16PY -0.00350 0.00000 0.00000 0.00000 0.02035 236 16PZ 0.00000 0.04543 0.07970 -0.00000 0.00000 237 17D 0 0.00000 0.00078 0.01311 0.00000 -0.00000 238 17D+1 -0.00000 0.00000 -0.00000 0.00974 0.00000 239 17D-1 -0.00110 0.00000 0.00000 0.00000 0.03178 240 17D+2 0.00000 -0.00056 0.00928 -0.00000 -0.00000 241 17D-2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 242 18D 0 0.00000 -0.00018 0.00449 0.00000 -0.00000 243 18D+1 -0.00000 0.00000 -0.00000 0.00308 0.00000 244 18D-1 -0.00044 -0.00000 0.00000 0.00000 0.01103 245 18D+2 0.00000 -0.00021 0.00317 -0.00000 -0.00000 246 18D-2 0.00000 0.00000 -0.00000 0.00000 -0.00000 247 19D 0 0.00000 0.00150 -0.00007 0.00000 -0.00000 248 19D+1 0.00000 -0.00000 -0.00000 0.00082 0.00000 249 19D-1 0.00008 0.00000 0.00000 0.00000 0.00139 250 19D+2 -0.00000 0.00000 0.00061 -0.00000 -0.00000 251 19D-2 -0.00000 -0.00000 0.00000 0.00000 -0.00000 252 20D 0 -0.00000 -0.00248 -0.00757 0.00000 -0.00000 253 20D+1 -0.00000 0.00000 0.00000 -0.00224 -0.00000 254 20D-1 0.00010 -0.00000 -0.00000 -0.00000 -0.00090 255 20D+2 -0.00000 -0.00006 0.00004 0.00000 0.00000 256 20D-2 -0.00000 0.00000 0.00000 -0.00000 0.00000 257 10 H 1S -0.01895 -0.00163 -0.03206 -0.00000 -0.02114 258 2S -0.03226 0.00653 -0.04000 -0.00000 -0.03440 259 3S -0.03744 -0.02449 -0.04383 0.00000 -0.02869 260 4PX -0.00000 -0.00000 -0.00000 0.00441 0.00000 261 4PY -0.00203 -0.00034 0.00136 0.00000 -0.00013 262 4PZ 0.00290 -0.00178 0.00116 -0.00000 0.00232 263 11 H 1S 0.00977 -0.00808 -0.00151 0.00000 0.00922 264 2S 0.01748 -0.01747 -0.01028 0.00000 0.01600 265 3S 0.02013 -0.01727 -0.00469 0.00000 0.01461 266 4PX -0.00000 0.00000 0.00000 -0.00103 -0.00000 267 4PY -0.00047 0.00081 0.00133 -0.00000 -0.00066 268 4PZ -0.00007 0.00123 0.00076 0.00000 0.00042 269 12 H 1S -0.00000 -0.00140 0.01110 0.00000 -0.00000 270 2S 0.00000 0.00616 0.02381 -0.00000 0.00000 271 3S 0.00000 0.00307 0.01095 -0.00000 0.00000 272 4PX -0.00000 0.00000 -0.00000 -0.00358 -0.00000 273 4PY -0.00052 0.00000 0.00000 -0.00000 -0.00055 274 4PZ 0.00000 0.00083 0.00153 0.00000 0.00000 275 13 H 1S -0.00977 -0.00808 -0.00151 0.00000 -0.00922 276 2S -0.01748 -0.01747 -0.01028 0.00000 -0.01600 277 3S -0.02013 -0.01727 -0.00469 0.00000 -0.01461 278 4PX -0.00000 -0.00000 -0.00000 -0.00103 -0.00000 279 4PY -0.00047 -0.00081 -0.00133 -0.00000 -0.00066 280 4PZ 0.00007 0.00123 0.00076 0.00000 -0.00042 121 122 123 124 125 121 4PZ 0.10709 122 5S -0.12210 1.89053 123 5PX -0.00000 -0.00000 0.00321 124 5PY 0.00000 0.00000 0.00000 0.20507 125 5PZ 0.05238 0.23730 -0.00000 -0.00000 0.10470 126 6D 0 0.00009 0.00169 -0.00000 0.00000 -0.00008 127 6D+1 0.00000 -0.00000 0.00053 -0.00000 -0.00000 128 6D-1 0.00000 0.00000 -0.00000 -0.00121 0.00000 129 6D+2 0.00206 0.00296 -0.00000 0.00000 0.00107 130 6D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 131 7D 0 0.01274 -0.01843 -0.00000 0.00000 0.00543 132 7D+1 -0.00000 0.00000 0.00066 -0.00000 -0.00000 133 7D-1 0.00000 -0.00000 -0.00000 -0.00438 0.00000 134 7D+2 0.00648 -0.00767 -0.00000 0.00000 0.00176 135 7D-2 -0.00000 0.00000 0.00000 0.00000 -0.00000 136 6 C 1S 0.00107 0.01553 0.00000 0.01224 -0.00762 137 2S 0.00694 0.01400 0.00000 0.01009 -0.00568 138 2PX -0.00000 0.00000 -0.00837 -0.00000 0.00000 139 2PY -0.01455 0.01993 -0.00000 -0.02388 -0.00894 140 2PZ -0.01238 -0.05670 0.00000 0.04153 -0.01030 141 3S -0.03660 0.00089 0.00000 -0.00101 -0.00335 142 3PX -0.00000 0.00000 -0.01301 -0.00000 0.00000 143 3PY -0.02219 0.02744 -0.00000 -0.03117 -0.01320 144 3PZ -0.01709 -0.07662 0.00000 0.05736 -0.01395 145 4S -0.02066 -0.07156 0.00000 0.00367 -0.01889 146 4PX -0.00000 -0.00000 -0.00946 -0.00000 0.00000 147 4PY -0.01626 0.02044 -0.00000 -0.02041 -0.01077 148 4PZ -0.02398 0.02412 0.00000 0.02758 -0.00407 149 5S -0.03120 -0.26561 0.00000 0.24266 -0.00714 150 5PX -0.00000 0.00000 -0.00233 -0.00000 0.00000 151 5PY 0.02734 -0.22734 0.00000 0.06493 -0.01864 152 5PZ 0.04319 -0.22385 0.00000 0.08921 -0.02346 153 6D 0 0.00366 -0.00125 -0.00000 -0.00308 0.00164 154 6D+1 -0.00000 -0.00000 0.00018 0.00000 -0.00000 155 6D-1 0.00082 -0.00172 -0.00000 -0.00244 -0.00022 156 6D+2 0.00261 0.00009 -0.00000 -0.00173 0.00108 157 6D-2 -0.00000 0.00000 -0.00039 0.00000 -0.00000 158 7D 0 0.01471 -0.03033 -0.00000 -0.00029 0.00351 159 7D+1 -0.00000 0.00000 0.00023 -0.00000 -0.00000 160 7D-1 0.01336 -0.02975 -0.00000 -0.00319 0.00322 161 7D+2 0.00745 -0.01395 -0.00000 -0.00002 0.00303 162 7D-2 -0.00000 0.00000 -0.00079 0.00000 -0.00000 163 7 H 1S -0.00930 -0.02862 0.00000 0.03789 -0.00092 164 2S -0.00762 -0.05988 0.00000 0.05897 0.00011 165 3S -0.02285 0.00795 0.00000 0.02705 -0.01079 166 4PX -0.00000 -0.00000 -0.00066 0.00000 0.00000 167 4PY -0.00026 -0.00770 0.00000 0.00444 0.00013 168 4PZ -0.00049 0.00080 0.00000 -0.00103 -0.00085 169 8 Mg 1S 0.01196 0.03873 -0.00000 0.00000 0.01222 170 2S 0.03314 0.10560 -0.00000 0.00000 0.03319 171 3S -0.08134 -0.20700 0.00000 -0.00000 -0.07152 172 4S -0.08992 -0.08866 0.00000 -0.00000 -0.05520 173 5S 0.12237 -0.73313 0.00000 -0.00000 -0.07076 174 6S -0.01786 -0.61330 0.00000 -0.00000 -0.14551 175 7S -0.00059 0.03391 -0.00000 0.00000 0.00705 176 7PX -0.00000 0.00000 0.00008 0.00000 0.00000 177 7PY 0.00000 -0.00000 0.00000 0.00003 -0.00000 178 7PZ 0.00423 -0.03532 0.00000 -0.00000 -0.00419 179 8PX -0.00000 0.00000 0.00351 0.00000 -0.00000 180 8PY 0.00000 -0.00000 0.00000 0.24264 -0.00000 181 8PZ 0.04327 -0.08961 -0.00000 -0.00000 0.00778 182 9PX -0.00000 0.00000 0.00479 0.00000 -0.00000 183 9PY 0.00000 -0.00000 0.00000 0.33065 -0.00000 184 9PZ 0.05876 -0.12041 -0.00000 -0.00000 0.01091 185 10PX 0.00000 0.00000 -0.00006 0.00000 0.00000 186 10PY -0.00000 -0.00000 0.00000 0.02708 -0.00000 187 10PZ -0.05154 -0.05026 0.00000 -0.00000 -0.05206 188 11PX -0.00000 -0.00000 -0.00075 -0.00000 -0.00000 189 11PY -0.00000 0.00000 -0.00000 -0.01938 0.00000 190 11PZ -0.01470 0.11756 -0.00000 0.00000 0.01534 191 12PX 0.00000 -0.00000 -0.00144 -0.00000 -0.00000 192 12PY -0.00000 0.00000 -0.00000 -0.00665 0.00000 193 12PZ -0.01018 0.45680 -0.00000 0.00000 0.08757 194 13D 0 0.00987 -0.08125 0.00000 -0.00000 -0.01068 195 13D+1 0.00000 0.00000 0.00116 0.00000 0.00000 196 13D-1 0.00000 -0.00000 0.00000 0.00091 -0.00000 197 13D+2 0.00026 0.00164 -0.00000 -0.00000 0.00037 198 13D-2 -0.00000 0.00000 0.00000 -0.00000 0.00000 199 14D 0 0.00900 -0.12803 0.00000 -0.00000 -0.02099 200 14D+1 0.00000 0.00000 0.00201 0.00000 0.00000 201 14D-1 0.00000 -0.00000 0.00000 0.00465 -0.00000 202 14D+2 0.00180 -0.00597 -0.00000 -0.00000 0.00009 203 14D-2 -0.00000 0.00000 0.00000 -0.00000 0.00000 204 9 Br 1S 0.00085 0.00722 -0.00000 0.00000 0.00280 205 2S 0.00275 0.02323 -0.00000 0.00000 0.00896 206 3S -0.00755 -0.06381 0.00000 -0.00000 -0.02532 207 4S -0.00937 -0.07611 0.00000 -0.00000 -0.03043 208 5S 0.01834 0.14316 -0.00000 0.00000 0.05728 209 6S 0.02038 0.17359 -0.00000 0.00000 0.06203 210 7S -0.02676 -0.23856 0.00000 -0.00000 -0.05202 211 8S -0.03404 -0.00659 0.00000 -0.00000 -0.01949 212 9S 0.00902 -0.22240 0.00000 -0.00000 -0.03911 213 9PX 0.00000 -0.00000 0.00088 0.00000 -0.00000 214 9PY -0.00000 0.00000 0.00000 0.00074 0.00000 215 9PZ -0.00328 0.08015 -0.00000 0.00000 0.01445 216 10PX -0.00000 -0.00000 0.00023 -0.00000 -0.00000 217 10PY 0.00000 0.00000 -0.00000 -0.00073 0.00000 218 10PZ 0.00168 0.01503 -0.00000 0.00000 0.00460 219 11PX -0.00000 -0.00000 0.00187 -0.00000 -0.00000 220 11PY 0.00000 0.00000 -0.00000 -0.00539 0.00000 221 11PZ 0.01389 0.12377 -0.00000 0.00000 0.03823 222 12PX 0.00000 0.00000 -0.00481 -0.00000 0.00000 223 12PY -0.00000 -0.00000 -0.00000 0.00109 -0.00000 224 12PZ -0.03684 -0.31875 0.00000 -0.00000 -0.10542 225 13PX 0.00000 0.00000 -0.00173 -0.00000 0.00000 226 13PY -0.00000 -0.00000 -0.00000 0.00066 -0.00000 227 13PZ -0.01263 -0.11899 0.00000 -0.00000 -0.03833 228 14PX -0.00000 -0.00000 0.00387 0.00000 -0.00000 229 14PY 0.00000 0.00000 0.00000 -0.00259 0.00000 230 14PZ 0.02850 0.26071 -0.00000 0.00000 0.08421 231 15PX -0.00000 -0.00000 0.00916 0.00000 -0.00000 232 15PY 0.00000 0.00000 0.00000 -0.00565 0.00000 233 15PZ 0.07283 0.59148 -0.00000 0.00000 0.19730 234 16PX -0.00000 -0.00000 0.00542 0.00000 -0.00000 235 16PY 0.00000 0.00000 0.00000 -0.00449 0.00000 236 16PZ 0.05693 0.30045 -0.00000 0.00000 0.11783 237 17D 0 -0.02679 -0.02335 0.00000 -0.00000 -0.05532 238 17D+1 0.00000 -0.00000 0.00499 0.00000 0.00000 239 17D-1 -0.00000 0.00000 0.00000 0.01976 -0.00000 240 17D+2 -0.00432 0.15228 -0.00000 -0.00000 0.00277 241 17D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 242 18D 0 -0.00947 -0.00282 0.00000 -0.00000 -0.01822 243 18D+1 0.00000 -0.00000 0.00177 0.00000 0.00000 244 18D-1 -0.00000 0.00000 0.00000 0.00700 -0.00000 245 18D+2 -0.00151 0.05278 -0.00000 -0.00000 0.00097 246 18D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 247 19D 0 -0.00156 -0.02561 0.00000 -0.00000 -0.00857 248 19D+1 0.00000 0.00000 0.00012 0.00000 0.00000 249 19D-1 -0.00000 -0.00000 0.00000 0.00088 -0.00000 250 19D+2 -0.00020 0.00833 -0.00000 -0.00000 0.00015 251 19D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 252 20D 0 -0.00573 -0.03619 0.00000 -0.00000 -0.01399 253 20D+1 0.00000 0.00000 -0.00015 0.00000 0.00000 254 20D-1 -0.00000 -0.00000 0.00000 0.00112 -0.00000 255 20D+2 -0.00015 0.00369 0.00000 -0.00000 0.00012 256 20D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 257 10 H 1S -0.00930 -0.02862 -0.00000 -0.03789 -0.00092 258 2S -0.00762 -0.05988 -0.00000 -0.05897 0.00011 259 3S -0.02285 0.00795 -0.00000 -0.02705 -0.01079 260 4PX -0.00000 0.00000 -0.00066 0.00000 0.00000 261 4PY 0.00026 0.00770 0.00000 0.00444 -0.00013 262 4PZ -0.00049 0.00080 0.00000 0.00103 -0.00085 263 11 H 1S -0.00554 0.05260 0.00000 0.01465 -0.01686 264 2S -0.01313 0.08883 0.00000 0.02362 -0.02648 265 3S -0.01002 0.03570 0.00000 0.01045 -0.00712 266 4PX 0.00000 -0.00000 -0.00055 -0.00000 0.00000 267 4PY 0.00080 -0.00784 -0.00000 -0.00089 0.00236 268 4PZ 0.00066 0.00465 0.00000 0.00296 -0.00052 269 12 H 1S -0.00309 -0.03520 -0.00000 0.00000 0.01529 270 2S 0.00095 -0.06736 -0.00000 0.00000 0.02447 271 3S 0.00082 -0.00197 -0.00000 0.00000 0.00981 272 4PX 0.00000 0.00000 -0.00050 -0.00000 -0.00000 273 4PY 0.00000 -0.00000 -0.00000 -0.00240 0.00000 274 4PZ 0.00023 -0.00868 -0.00000 0.00000 0.00227 275 13 H 1S -0.00554 0.05260 0.00000 -0.01465 -0.01686 276 2S -0.01313 0.08883 0.00000 -0.02362 -0.02648 277 3S -0.01002 0.03570 0.00000 -0.01045 -0.00712 278 4PX -0.00000 0.00000 -0.00055 0.00000 -0.00000 279 4PY -0.00080 0.00784 0.00000 -0.00089 -0.00236 280 4PZ 0.00066 0.00465 -0.00000 -0.00296 -0.00052 126 127 128 129 130 126 6D 0 0.00011 127 6D+1 -0.00000 0.00014 128 6D-1 -0.00000 0.00000 0.00086 129 6D+2 0.00008 -0.00000 -0.00000 0.00036 130 6D-2 -0.00000 -0.00000 -0.00000 -0.00000 0.00018 131 7D 0 0.00028 -0.00000 0.00000 0.00025 -0.00000 132 7D+1 -0.00000 0.00008 0.00000 -0.00000 -0.00000 133 7D-1 -0.00000 0.00000 0.00041 0.00000 -0.00000 134 7D+2 0.00020 -0.00000 0.00000 0.00032 -0.00000 135 7D-2 -0.00000 -0.00000 -0.00000 -0.00000 0.00060 136 6 C 1S 0.00011 -0.00000 -0.00210 0.00115 0.00000 137 2S 0.00016 -0.00000 -0.00321 0.00176 0.00000 138 2PX 0.00000 -0.00208 0.00000 0.00000 -0.00250 139 2PY 0.00105 0.00000 0.00548 -0.00170 -0.00000 140 2PZ -0.00193 0.00000 0.00156 -0.00270 0.00000 141 3S -0.00038 0.00000 0.00870 -0.00457 -0.00000 142 3PX 0.00000 -0.00322 0.00000 0.00000 -0.00380 143 3PY 0.00139 0.00000 0.00778 -0.00250 -0.00000 144 3PZ -0.00264 0.00000 0.00229 -0.00373 0.00000 145 4S -0.00050 0.00000 0.00270 -0.00283 -0.00000 146 4PX 0.00000 -0.00253 0.00000 0.00000 -0.00331 147 4PY 0.00047 0.00000 0.00341 -0.00152 -0.00000 148 4PZ -0.00164 0.00000 0.00095 -0.00227 0.00000 149 5S -0.00311 0.00000 -0.00488 -0.00413 0.00000 150 5PX 0.00000 -0.00079 -0.00000 -0.00000 -0.00073 151 5PY -0.00007 -0.00000 -0.00029 0.00012 -0.00000 152 5PZ 0.00061 0.00000 0.00141 0.00120 -0.00000 153 6D 0 0.00012 -0.00000 0.00016 0.00023 -0.00000 154 6D+1 -0.00000 -0.00003 0.00000 -0.00000 0.00012 155 6D-1 0.00006 0.00000 0.00047 -0.00011 -0.00000 156 6D+2 0.00007 -0.00000 -0.00011 0.00026 -0.00000 157 6D-2 -0.00000 -0.00012 -0.00000 0.00000 -0.00000 158 7D 0 0.00009 -0.00000 0.00025 0.00044 -0.00000 159 7D+1 -0.00000 -0.00018 -0.00000 -0.00000 0.00028 160 7D-1 -0.00002 0.00000 0.00039 0.00010 -0.00000 161 7D+2 0.00002 0.00000 0.00025 0.00031 -0.00000 162 7D-2 0.00000 -0.00028 -0.00000 -0.00000 0.00013 163 7 H 1S -0.00167 0.00000 -0.00219 -0.00105 0.00000 164 2S -0.00256 0.00000 -0.00355 -0.00144 0.00000 165 3S -0.00109 -0.00000 -0.00329 -0.00096 0.00000 166 4PX 0.00000 -0.00018 -0.00000 0.00000 -0.00022 167 4PY -0.00023 0.00000 0.00005 -0.00020 -0.00000 168 4PZ 0.00005 0.00000 0.00020 -0.00004 -0.00000 169 8 Mg 1S 0.00015 -0.00000 0.00000 0.00015 -0.00000 170 2S 0.00039 -0.00000 0.00000 0.00040 -0.00000 171 3S -0.00087 0.00000 -0.00000 -0.00105 0.00000 172 4S -0.00095 0.00000 -0.00000 -0.00147 0.00000 173 5S 0.00125 -0.00000 0.00000 0.00383 -0.00000 174 6S -0.00012 -0.00000 0.00000 0.00048 0.00000 175 7S -0.00002 -0.00000 -0.00000 0.00003 0.00000 176 7PX -0.00000 0.00003 0.00000 -0.00000 0.00000 177 7PY -0.00000 0.00000 0.00006 -0.00000 -0.00000 178 7PZ 0.00001 -0.00000 -0.00000 0.00003 -0.00000 179 8PX 0.00000 0.00040 0.00000 -0.00000 0.00000 180 8PY -0.00000 0.00000 0.00040 -0.00000 -0.00000 181 8PZ -0.00062 -0.00000 -0.00000 0.00039 0.00000 182 9PX 0.00000 0.00055 0.00000 -0.00000 0.00000 183 9PY -0.00000 0.00000 0.00055 -0.00000 -0.00000 184 9PZ -0.00085 -0.00000 -0.00000 0.00053 0.00000 185 10PX 0.00000 -0.00040 -0.00000 0.00000 -0.00000 186 10PY 0.00000 -0.00000 -0.00044 -0.00000 0.00000 187 10PZ 0.00008 0.00000 -0.00000 -0.00086 -0.00000 188 11PX 0.00000 -0.00064 -0.00000 0.00000 -0.00000 189 11PY -0.00000 -0.00000 0.00025 -0.00000 -0.00000 190 11PZ -0.00004 0.00000 -0.00000 -0.00107 0.00000 191 12PX 0.00000 -0.00038 0.00000 -0.00000 -0.00000 192 12PY -0.00000 0.00000 0.00043 0.00000 -0.00000 193 12PZ -0.00017 -0.00000 0.00000 0.00168 0.00000 194 13D 0 0.00006 -0.00000 -0.00000 0.00014 -0.00000 195 13D+1 -0.00000 0.00026 0.00000 -0.00000 0.00000 196 13D-1 -0.00000 0.00000 0.00035 -0.00000 -0.00000 197 13D+2 0.00003 -0.00000 -0.00000 0.00002 -0.00000 198 13D-2 -0.00000 0.00000 -0.00000 -0.00000 0.00003 199 14D 0 0.00011 -0.00000 0.00000 0.00060 -0.00000 200 14D+1 -0.00000 0.00045 0.00000 -0.00000 0.00000 201 14D-1 0.00000 0.00000 -0.00030 0.00000 0.00000 202 14D+2 0.00005 -0.00000 0.00000 0.00005 -0.00000 203 14D-2 -0.00000 0.00000 0.00000 -0.00000 0.00011 204 9 Br 1S -0.00001 -0.00000 -0.00000 0.00001 0.00000 205 2S -0.00003 -0.00000 -0.00000 0.00002 0.00000 206 3S 0.00007 0.00000 0.00000 -0.00006 -0.00000 207 4S 0.00008 0.00000 0.00000 -0.00008 -0.00000 208 5S -0.00015 -0.00000 -0.00000 0.00016 0.00000 209 6S -0.00023 -0.00000 -0.00000 0.00017 0.00000 210 7S 0.00063 -0.00000 0.00000 -0.00017 -0.00000 211 8S 0.00019 0.00000 -0.00000 -0.00059 -0.00000 212 9S 0.00022 0.00000 -0.00000 -0.00166 -0.00000 213 9PX 0.00000 0.00009 -0.00000 -0.00000 0.00000 214 9PY 0.00000 -0.00000 -0.00013 0.00000 0.00000 215 9PZ -0.00009 -0.00000 0.00000 0.00053 0.00000 216 10PX 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 217 10PY -0.00000 -0.00000 -0.00001 0.00000 0.00000 218 10PZ -0.00003 0.00000 -0.00000 0.00001 0.00000 219 11PX 0.00000 -0.00006 -0.00000 -0.00000 -0.00000 220 11PY -0.00000 -0.00000 -0.00005 0.00000 0.00000 221 11PZ -0.00027 0.00000 -0.00000 0.00009 0.00000 222 12PX -0.00000 0.00014 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00000 0.00012 -0.00000 -0.00000 224 12PZ 0.00048 -0.00000 0.00000 -0.00030 -0.00000 225 13PX -0.00000 0.00005 0.00000 0.00000 0.00000 226 13PY 0.00000 0.00000 0.00004 -0.00000 -0.00000 227 13PZ 0.00018 -0.00000 0.00000 -0.00010 -0.00000 228 14PX 0.00000 -0.00012 -0.00000 -0.00000 -0.00000 229 14PY -0.00000 -0.00000 -0.00009 0.00000 0.00000 230 14PZ -0.00041 0.00000 -0.00000 0.00023 0.00000 231 15PX 0.00000 -0.00024 -0.00000 -0.00000 -0.00000 232 15PY -0.00000 -0.00000 -0.00023 0.00000 0.00000 233 15PZ -0.00096 0.00000 -0.00000 0.00061 0.00000 234 16PX 0.00000 -0.00031 -0.00000 -0.00000 -0.00000 235 16PY -0.00000 -0.00000 -0.00007 0.00000 0.00000 236 16PZ -0.00050 -0.00000 -0.00000 0.00069 0.00000 237 17D 0 0.00006 0.00000 0.00000 -0.00004 0.00000 238 17D+1 0.00000 -0.00032 -0.00000 0.00000 -0.00000 239 17D-1 0.00000 -0.00000 0.00004 -0.00000 0.00000 240 17D+2 -0.00003 0.00000 -0.00000 0.00001 0.00000 241 17D-2 0.00000 -0.00000 0.00000 0.00000 -0.00009 242 18D 0 0.00001 0.00000 -0.00000 -0.00002 0.00000 243 18D+1 0.00000 -0.00010 -0.00000 0.00000 -0.00000 244 18D-1 -0.00000 -0.00000 0.00002 -0.00000 0.00000 245 18D+2 -0.00001 0.00000 -0.00000 0.00000 0.00000 246 18D-2 0.00000 -0.00000 0.00000 0.00000 -0.00003 247 19D 0 0.00005 -0.00000 0.00000 0.00002 -0.00000 248 19D+1 -0.00000 -0.00003 -0.00000 0.00000 -0.00000 249 19D-1 0.00000 -0.00000 -0.00000 0.00000 0.00000 250 19D+2 0.00000 0.00000 0.00000 0.00000 -0.00000 251 19D-2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 252 20D 0 0.00009 -0.00000 0.00000 0.00002 -0.00000 253 20D+1 -0.00000 0.00008 0.00000 -0.00000 0.00000 254 20D-1 0.00000 0.00000 0.00001 0.00000 -0.00000 255 20D+2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 256 20D-2 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 257 10 H 1S -0.00167 0.00000 0.00219 -0.00105 -0.00000 258 2S -0.00256 0.00000 0.00355 -0.00144 -0.00000 259 3S -0.00109 0.00000 0.00329 -0.00096 -0.00000 260 4PX 0.00000 -0.00018 -0.00000 0.00000 0.00022 261 4PY 0.00023 -0.00000 0.00005 0.00020 -0.00000 262 4PZ 0.00005 0.00000 -0.00020 -0.00004 -0.00000 263 11 H 1S -0.00034 0.00000 -0.00003 -0.00041 0.00000 264 2S -0.00058 0.00000 -0.00026 -0.00065 0.00000 265 3S -0.00044 0.00000 -0.00089 -0.00082 0.00000 266 4PX -0.00000 -0.00003 -0.00000 -0.00000 0.00022 267 4PY 0.00005 -0.00000 -0.00003 0.00002 0.00000 268 4PZ 0.00004 -0.00000 -0.00001 0.00008 -0.00000 269 12 H 1S 0.00036 -0.00000 0.00000 0.00020 -0.00000 270 2S 0.00059 -0.00000 0.00000 0.00050 -0.00000 271 3S 0.00073 -0.00000 0.00000 0.00062 -0.00000 272 4PX -0.00000 0.00004 0.00000 -0.00000 0.00000 273 4PY -0.00000 0.00000 0.00005 -0.00000 -0.00000 274 4PZ -0.00000 -0.00000 -0.00000 0.00002 0.00000 275 13 H 1S -0.00034 0.00000 0.00003 -0.00041 0.00000 276 2S -0.00058 0.00000 0.00026 -0.00065 0.00000 277 3S -0.00044 0.00000 0.00089 -0.00082 -0.00000 278 4PX 0.00000 -0.00003 0.00000 -0.00000 -0.00022 279 4PY -0.00005 0.00000 -0.00003 -0.00002 -0.00000 280 4PZ 0.00004 -0.00000 0.00001 0.00008 0.00000 131 132 133 134 135 131 7D 0 0.00294 132 7D+1 -0.00000 0.00016 133 7D-1 0.00000 0.00000 0.00063 134 7D+2 0.00153 -0.00000 0.00000 0.00105 135 7D-2 -0.00000 -0.00000 -0.00000 -0.00000 0.00202 136 6 C 1S 0.00104 -0.00000 -0.00406 0.00344 0.00000 137 2S 0.00120 -0.00000 -0.00442 0.00409 0.00000 138 2PX 0.00000 -0.00132 0.00000 0.00000 -0.00844 139 2PY 0.00252 -0.00000 0.00306 0.00145 -0.00000 140 2PZ -0.00590 0.00000 -0.00305 -0.00390 0.00000 141 3S -0.00208 0.00000 0.00621 -0.00710 -0.00000 142 3PX 0.00000 -0.00206 0.00000 0.00000 -0.01285 143 3PY 0.00316 -0.00000 0.00427 0.00174 -0.00000 144 3PZ -0.00804 0.00000 -0.00428 -0.00529 0.00000 145 4S -0.00182 0.00000 0.00260 -0.00392 -0.00000 146 4PX 0.00000 -0.00141 0.00000 0.00000 -0.01118 147 4PY 0.00006 0.00000 0.00199 0.00019 -0.00000 148 4PZ -0.00704 0.00000 -0.00248 -0.00469 0.00000 149 5S -0.00938 0.00000 -0.00416 -0.00805 0.00000 150 5PX -0.00000 -0.00026 0.00000 -0.00000 -0.00248 151 5PY 0.00379 -0.00000 -0.00185 0.00194 -0.00000 152 5PZ 0.00720 -0.00000 -0.00212 0.00436 -0.00000 153 6D 0 0.00073 -0.00000 0.00035 0.00038 -0.00000 154 6D+1 -0.00000 0.00007 -0.00000 -0.00000 0.00040 155 6D-1 0.00044 -0.00000 0.00021 0.00024 -0.00000 156 6D+2 0.00036 -0.00000 0.00005 0.00035 -0.00000 157 6D-2 -0.00000 -0.00005 -0.00000 -0.00000 -0.00001 158 7D 0 0.00225 -0.00000 0.00022 0.00128 -0.00000 159 7D+1 -0.00000 0.00015 -0.00000 -0.00000 0.00094 160 7D-1 0.00224 -0.00000 0.00017 0.00118 -0.00000 161 7D+2 0.00103 -0.00000 0.00019 0.00062 -0.00000 162 7D-2 -0.00000 -0.00008 -0.00000 -0.00000 0.00045 163 7 H 1S -0.00575 0.00000 -0.00247 -0.00480 0.00000 164 2S -0.00783 0.00000 -0.00380 -0.00661 0.00000 165 3S -0.00654 0.00000 -0.00273 -0.00398 0.00000 166 4PX 0.00000 -0.00010 0.00000 -0.00000 -0.00075 167 4PY -0.00054 0.00000 -0.00015 -0.00058 0.00000 168 4PZ 0.00006 -0.00000 0.00002 0.00015 0.00000 169 8 Mg 1S -0.00096 0.00000 -0.00000 -0.00048 0.00000 170 2S -0.00236 0.00000 -0.00000 -0.00133 0.00000 171 3S 0.00369 -0.00000 0.00000 0.00259 -0.00000 172 4S 0.00082 -0.00000 0.00000 0.00081 -0.00000 173 5S 0.01864 -0.00000 0.00000 0.01125 -0.00000 174 6S -0.00129 -0.00000 -0.00000 0.00120 0.00000 175 7S -0.00034 0.00000 -0.00000 -0.00017 0.00000 176 7PX -0.00000 0.00001 0.00000 -0.00000 0.00000 177 7PY 0.00000 0.00000 0.00006 0.00000 -0.00000 178 7PZ 0.00075 -0.00000 0.00000 0.00042 -0.00000 179 8PX -0.00000 -0.00018 0.00000 -0.00000 -0.00000 180 8PY 0.00000 0.00000 0.00026 0.00000 -0.00000 181 8PZ 0.00169 -0.00000 0.00000 0.00081 -0.00000 182 9PX -0.00000 -0.00025 0.00000 -0.00000 -0.00000 183 9PY 0.00000 0.00000 0.00035 0.00000 -0.00000 184 9PZ 0.00231 -0.00000 0.00000 0.00110 -0.00000 185 10PX 0.00000 0.00021 0.00000 0.00000 0.00000 186 10PY -0.00000 0.00000 0.00038 -0.00000 -0.00000 187 10PZ -0.00723 0.00000 -0.00000 -0.00344 0.00000 188 11PX 0.00000 0.00029 0.00000 0.00000 0.00000 189 11PY -0.00000 0.00000 0.00080 -0.00000 -0.00000 190 11PZ -0.00213 0.00000 -0.00000 -0.00167 0.00000 191 12PX 0.00000 -0.00020 0.00000 0.00000 -0.00000 192 12PY -0.00000 0.00000 0.00042 -0.00000 -0.00000 193 12PZ -0.00441 0.00000 -0.00000 -0.00162 0.00000 194 13D 0 0.00113 -0.00000 0.00000 0.00073 -0.00000 195 13D+1 -0.00000 0.00028 0.00000 -0.00000 0.00000 196 13D-1 0.00000 0.00000 0.00030 0.00000 -0.00000 197 13D+2 0.00010 -0.00000 -0.00000 0.00007 -0.00000 198 13D-2 -0.00000 0.00000 -0.00000 -0.00000 0.00011 199 14D 0 0.00177 -0.00000 0.00000 0.00143 -0.00000 200 14D+1 -0.00000 0.00045 0.00000 -0.00000 0.00000 201 14D-1 0.00000 0.00000 0.00012 0.00000 -0.00000 202 14D+2 0.00041 -0.00000 0.00000 0.00024 -0.00000 203 14D-2 -0.00000 0.00000 -0.00000 -0.00000 0.00036 204 9 Br 1S 0.00016 -0.00000 0.00000 0.00004 -0.00000 205 2S 0.00051 -0.00000 0.00000 0.00015 -0.00000 206 3S -0.00127 0.00000 -0.00000 -0.00036 0.00000 207 4S -0.00158 0.00000 -0.00000 -0.00046 0.00000 208 5S 0.00307 -0.00000 0.00000 0.00091 -0.00000 209 6S 0.00417 -0.00000 0.00000 0.00119 -0.00000 210 7S -0.01027 0.00000 -0.00000 -0.00301 0.00000 211 8S -0.00852 0.00000 -0.00000 -0.00355 0.00000 212 9S 0.00365 -0.00000 0.00000 0.00076 -0.00000 213 9PX 0.00000 0.00028 0.00000 0.00000 0.00000 214 9PY -0.00000 0.00000 0.00013 -0.00000 -0.00000 215 9PZ -0.00128 0.00000 -0.00000 -0.00032 0.00000 216 10PX -0.00000 0.00011 0.00000 -0.00000 0.00000 217 10PY 0.00000 0.00000 0.00014 -0.00000 -0.00000 218 10PZ 0.00029 -0.00000 0.00000 0.00009 -0.00000 219 11PX -0.00000 0.00094 0.00000 -0.00000 0.00000 220 11PY 0.00000 0.00000 0.00112 -0.00000 -0.00000 221 11PZ 0.00233 -0.00000 0.00000 0.00075 -0.00000 222 12PX 0.00000 -0.00242 -0.00000 0.00000 -0.00000 223 12PY 0.00000 -0.00000 -0.00287 0.00000 0.00000 224 12PZ -0.00414 0.00000 -0.00000 -0.00144 0.00000 225 13PX 0.00000 -0.00088 -0.00000 0.00000 -0.00000 226 13PY 0.00000 -0.00000 -0.00105 0.00000 0.00000 227 13PZ -0.00143 0.00000 -0.00000 -0.00048 0.00000 228 14PX -0.00000 0.00196 0.00000 -0.00000 0.00000 229 14PY -0.00000 0.00000 0.00236 -0.00000 -0.00000 230 14PZ 0.00343 -0.00000 0.00000 0.00115 -0.00000 231 15PX -0.00000 0.00458 0.00000 -0.00000 0.00000 232 15PY 0.00000 0.00000 0.00542 -0.00000 -0.00000 233 15PZ 0.00907 -0.00000 0.00000 0.00320 -0.00000 234 16PX -0.00000 0.00293 0.00000 -0.00000 0.00000 235 16PY 0.00000 0.00000 0.00364 -0.00000 -0.00000 236 16PZ 0.00734 -0.00000 0.00000 0.00306 -0.00000 237 17D 0 0.00026 -0.00000 0.00000 0.00018 -0.00000 238 17D+1 -0.00000 0.00135 -0.00000 -0.00000 0.00000 239 17D-1 0.00000 -0.00000 -0.00167 0.00000 0.00000 240 17D+2 0.00055 -0.00000 0.00000 -0.00017 -0.00000 241 17D-2 -0.00000 0.00000 0.00000 -0.00000 0.00046 242 18D 0 0.00009 -0.00000 0.00000 0.00005 -0.00000 243 18D+1 -0.00000 0.00047 -0.00000 -0.00000 0.00000 244 18D-1 0.00000 -0.00000 -0.00058 0.00000 0.00000 245 18D+2 0.00018 -0.00000 0.00000 -0.00006 -0.00000 246 18D-2 -0.00000 0.00000 0.00000 -0.00000 0.00015 247 19D 0 -0.00004 -0.00000 0.00000 0.00005 -0.00000 248 19D+1 -0.00000 0.00002 -0.00000 -0.00000 -0.00000 249 19D-1 0.00000 -0.00000 -0.00015 0.00000 0.00000 250 19D+2 0.00004 -0.00000 0.00000 -0.00000 -0.00000 251 19D-2 -0.00000 -0.00000 0.00000 -0.00000 0.00004 252 20D 0 -0.00070 0.00000 -0.00000 -0.00023 0.00000 253 20D+1 0.00000 -0.00020 -0.00000 0.00000 -0.00000 254 20D-1 -0.00000 -0.00000 -0.00036 -0.00000 0.00000 255 20D+2 -0.00001 0.00000 0.00000 -0.00002 0.00000 256 20D-2 0.00000 -0.00000 0.00000 0.00000 -0.00001 257 10 H 1S -0.00575 0.00000 0.00247 -0.00480 0.00000 258 2S -0.00783 0.00000 0.00380 -0.00661 0.00000 259 3S -0.00654 0.00000 0.00273 -0.00398 0.00000 260 4PX -0.00000 -0.00010 -0.00000 0.00000 0.00075 261 4PY 0.00054 -0.00000 -0.00015 0.00058 0.00000 262 4PZ 0.00006 -0.00000 -0.00002 0.00015 -0.00000 263 11 H 1S -0.00111 0.00000 0.00070 0.00038 0.00000 264 2S -0.00257 0.00000 0.00098 0.00018 0.00000 265 3S -0.00196 0.00000 0.00044 -0.00070 0.00000 266 4PX -0.00000 -0.00014 -0.00000 0.00000 0.00076 267 4PY 0.00025 -0.00000 -0.00007 -0.00001 0.00000 268 4PZ 0.00022 -0.00000 -0.00011 0.00018 -0.00000 269 12 H 1S 0.00163 -0.00000 0.00000 0.00099 -0.00000 270 2S 0.00346 -0.00000 0.00000 0.00208 -0.00000 271 3S 0.00293 -0.00000 0.00000 0.00167 -0.00000 272 4PX -0.00000 -0.00016 -0.00000 0.00000 -0.00000 273 4PY -0.00000 -0.00000 0.00008 -0.00000 -0.00000 274 4PZ 0.00010 0.00000 0.00000 0.00008 -0.00000 275 13 H 1S -0.00111 -0.00000 -0.00070 0.00038 0.00000 276 2S -0.00257 0.00000 -0.00098 0.00018 0.00000 277 3S -0.00196 0.00000 -0.00044 -0.00070 0.00000 278 4PX 0.00000 -0.00014 0.00000 0.00000 -0.00076 279 4PY -0.00025 -0.00000 -0.00007 0.00001 -0.00000 280 4PZ 0.00022 -0.00000 0.00011 0.00018 0.00000 136 137 138 139 140 136 6 C 1S 0.65861 137 2S 0.56035 0.48981 138 2PX -0.00000 -0.00000 0.06688 139 2PY -0.00110 -0.00187 0.00000 0.09022 140 2PZ 0.00042 0.00063 -0.00000 0.00147 0.09123 141 3S -0.07978 -0.14263 0.00000 0.00854 -0.00288 142 3PX -0.00000 -0.00000 0.10254 0.00000 -0.00000 143 3PY -0.00246 -0.00484 0.00000 0.12463 0.00445 144 3PZ -0.00024 0.00083 -0.00000 0.00469 0.12740 145 4S -0.06079 -0.08525 -0.00000 -0.00552 0.00682 146 4PX -0.00000 0.00000 0.08491 0.00000 -0.00000 147 4PY -0.00616 -0.00384 0.00000 0.06204 0.00631 148 4PZ -0.00229 -0.00506 -0.00000 -0.00572 0.06984 149 5S 0.02184 0.01857 -0.00000 -0.05715 0.09822 150 5PX 0.00000 0.00000 0.02224 0.00000 -0.00000 151 5PY 0.01366 0.01610 -0.00000 -0.00414 0.01638 152 5PZ 0.00163 0.00068 -0.00000 -0.00311 0.01111 153 6D 0 -0.00072 -0.00155 0.00000 0.00009 -0.00647 154 6D+1 -0.00000 -0.00000 -0.00125 0.00000 0.00000 155 6D-1 -0.00045 -0.00069 0.00000 0.00615 0.00072 156 6D+2 0.00093 0.00217 0.00000 -0.00038 -0.00335 157 6D-2 0.00000 0.00000 0.00180 -0.00000 0.00000 158 7D 0 0.00075 0.00079 0.00000 -0.00132 -0.00386 159 7D+1 -0.00000 -0.00000 -0.00138 0.00000 0.00000 160 7D-1 0.00004 -0.00024 -0.00000 0.00145 0.00027 161 7D+2 0.00027 0.00027 0.00000 -0.00111 -0.00215 162 7D-2 -0.00000 -0.00000 0.00228 0.00000 0.00000 163 7 H 1S -0.02001 -0.03131 -0.00000 -0.06624 0.03662 164 2S -0.03163 -0.04581 -0.00000 -0.10057 0.05576 165 3S 0.00094 0.00107 -0.00000 -0.04089 0.02791 166 4PX -0.00000 -0.00000 0.00581 -0.00000 -0.00000 167 4PY -0.00563 -0.00748 -0.00000 -0.00637 0.00564 168 4PZ 0.00289 0.00381 -0.00000 0.00535 0.00122 169 8 Mg 1S 0.00039 0.00064 0.00000 -0.00079 -0.00098 170 2S 0.00104 0.00173 0.00000 -0.00213 -0.00266 171 3S -0.00265 -0.00447 -0.00000 0.00553 0.00711 172 4S -0.00418 -0.00672 -0.00000 0.00825 0.01037 173 5S 0.01303 0.01941 0.00000 -0.02381 -0.02986 174 6S 0.01424 0.01479 -0.00000 -0.01249 0.00846 175 7S 0.00098 0.00111 -0.00000 0.00013 0.00017 176 7PX -0.00000 -0.00000 -0.00052 0.00000 0.00000 177 7PY -0.00053 -0.00071 -0.00000 0.00003 0.00038 178 7PZ -0.00016 0.00002 0.00000 -0.00035 -0.00007 179 8PX -0.00000 -0.00000 -0.00331 0.00000 0.00000 180 8PY -0.00053 -0.00087 -0.00000 0.00107 0.00193 181 8PZ 0.00128 0.00213 0.00000 -0.00269 -0.00226 182 9PX -0.00000 -0.00000 -0.00459 0.00000 0.00000 183 9PY -0.00088 -0.00133 -0.00000 0.00152 0.00261 184 9PZ 0.00178 0.00295 0.00000 -0.00369 -0.00301 185 10PX 0.00000 0.00000 0.00580 -0.00000 -0.00000 186 10PY 0.00135 0.00171 0.00000 -0.00255 -0.00256 187 10PZ -0.00332 -0.00519 -0.00000 0.00677 0.00564 188 11PX 0.00000 0.00000 0.00876 -0.00000 -0.00000 189 11PY -0.00103 -0.00111 0.00000 0.00316 -0.00328 190 11PZ -0.00556 -0.00648 -0.00000 0.01016 0.00607 191 12PX -0.00000 -0.00000 0.00574 0.00000 0.00000 192 12PY -0.00240 -0.00299 0.00000 0.00318 -0.00275 193 12PZ 0.01374 0.01564 -0.00000 -0.00978 -0.00890 194 13D 0 0.00101 0.00156 0.00000 -0.00130 -0.00013 195 13D+1 -0.00000 -0.00000 -0.00424 -0.00000 0.00000 196 13D-1 -0.00117 -0.00152 -0.00000 0.00197 0.00215 197 13D+2 0.00002 0.00008 0.00000 0.00029 -0.00049 198 13D-2 0.00000 0.00000 -0.00045 -0.00000 -0.00000 199 14D 0 0.00302 0.00409 0.00000 -0.00482 -0.00322 200 14D+1 -0.00000 -0.00000 -0.00721 -0.00000 0.00000 201 14D-1 0.00059 0.00074 -0.00000 -0.00270 0.00154 202 14D+2 0.00021 0.00033 0.00000 0.00052 -0.00088 203 14D-2 -0.00000 -0.00000 -0.00150 0.00000 0.00000 204 9 Br 1S 0.00002 0.00002 0.00000 -0.00003 -0.00006 205 2S 0.00005 0.00008 0.00000 -0.00010 -0.00019 206 3S -0.00013 -0.00021 -0.00000 0.00028 0.00052 207 4S -0.00017 -0.00028 -0.00000 0.00036 0.00066 208 5S 0.00034 0.00058 0.00000 -0.00072 -0.00133 209 6S 0.00037 0.00059 0.00000 -0.00082 -0.00159 210 7S -0.00055 -0.00082 -0.00000 0.00137 0.00301 211 8S -0.00230 -0.00377 -0.00000 0.00347 0.00495 212 9S -0.01671 -0.01895 0.00000 0.01268 0.00495 213 9PX -0.00000 -0.00000 -0.00173 0.00000 0.00000 214 9PY 0.00074 0.00096 -0.00000 -0.00067 0.00053 215 9PZ 0.00531 0.00589 0.00000 -0.00433 -0.00163 216 10PX -0.00000 -0.00000 -0.00007 0.00000 0.00000 217 10PY -0.00001 -0.00002 -0.00000 -0.00000 0.00004 218 10PZ 0.00004 0.00006 0.00000 -0.00013 -0.00012 219 11PX -0.00000 -0.00000 -0.00059 0.00000 0.00000 220 11PY -0.00011 -0.00015 -0.00000 -0.00004 0.00035 221 11PZ 0.00032 0.00052 0.00000 -0.00105 -0.00097 222 12PX 0.00000 0.00000 0.00156 -0.00000 -0.00000 223 12PY 0.00027 0.00039 0.00000 0.00009 -0.00089 224 12PZ -0.00084 -0.00138 -0.00000 0.00278 0.00257 225 13PX 0.00000 0.00000 0.00053 -0.00000 -0.00000 226 13PY 0.00014 0.00019 0.00000 0.00000 -0.00034 227 13PZ -0.00033 -0.00049 -0.00000 0.00098 0.00091 228 14PX -0.00000 -0.00000 -0.00118 0.00000 0.00000 229 14PY -0.00030 -0.00040 -0.00000 -0.00001 0.00077 230 14PZ 0.00075 0.00112 0.00000 -0.00222 -0.00212 231 15PX -0.00000 -0.00000 -0.00338 0.00000 0.00000 232 15PY -0.00045 -0.00066 -0.00000 -0.00024 0.00170 233 15PZ 0.00162 0.00279 0.00000 -0.00558 -0.00546 234 16PX -0.00000 -0.00000 0.00017 0.00000 0.00000 235 16PY -0.00049 -0.00069 -0.00000 0.00054 0.00098 236 16PZ 0.00255 0.00405 0.00000 -0.00501 -0.00546 237 17D 0 -0.00006 -0.00012 -0.00000 0.00009 0.00027 238 17D+1 0.00000 0.00000 0.00008 -0.00000 -0.00000 239 17D-1 -0.00000 0.00002 0.00000 -0.00015 -0.00006 240 17D+2 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 241 17D-2 0.00000 0.00000 -0.00001 0.00000 -0.00000 242 18D 0 -0.00002 -0.00006 -0.00000 0.00003 0.00012 243 18D+1 -0.00000 0.00000 -0.00014 -0.00000 0.00000 244 18D-1 -0.00003 -0.00003 -0.00000 -0.00005 0.00001 245 18D+2 -0.00000 -0.00001 0.00000 -0.00002 0.00002 246 18D-2 0.00000 0.00000 0.00002 0.00000 -0.00000 247 19D 0 0.00004 0.00010 0.00000 -0.00005 -0.00020 248 19D+1 0.00000 -0.00000 0.00025 0.00000 -0.00000 249 19D-1 0.00006 0.00007 0.00000 -0.00002 -0.00006 250 19D+2 0.00000 0.00001 -0.00000 0.00003 -0.00003 251 19D-2 -0.00000 -0.00000 -0.00006 0.00000 0.00000 252 20D 0 -0.00000 -0.00009 0.00000 -0.00004 -0.00028 253 20D+1 -0.00000 0.00000 -0.00100 -0.00000 0.00000 254 20D-1 -0.00006 -0.00006 -0.00000 -0.00010 0.00008 255 20D+2 -0.00001 -0.00002 0.00000 -0.00007 0.00004 256 20D-2 0.00000 0.00000 0.00010 0.00000 0.00000 257 10 H 1S -0.00306 -0.00493 -0.00000 0.00866 0.00514 258 2S -0.00552 -0.00732 -0.00000 0.01377 0.00959 259 3S -0.00606 -0.00967 -0.00000 0.01963 0.01324 260 4PX 0.00000 0.00000 -0.00044 0.00000 0.00000 261 4PY 0.00032 0.00011 0.00000 0.00049 -0.00035 262 4PZ -0.00005 0.00003 0.00000 -0.00060 -0.00017 263 11 H 1S -0.00058 -0.00092 0.00000 0.00075 -0.00034 264 2S -0.00031 -0.00071 -0.00000 -0.00117 0.00091 265 3S 0.00078 0.00079 -0.00000 -0.00256 0.00174 266 4PX 0.00000 -0.00000 -0.00265 -0.00000 0.00000 267 4PY 0.00007 0.00003 -0.00000 0.00018 -0.00043 268 4PZ -0.00004 0.00003 0.00000 -0.00044 -0.00029 269 12 H 1S -0.00255 -0.00416 0.00000 0.00026 -0.00927 270 2S -0.00481 -0.00647 0.00000 -0.00026 -0.01559 271 3S -0.00363 -0.00522 0.00000 0.00164 -0.01752 272 4PX 0.00000 0.00000 -0.00050 0.00000 0.00000 273 4PY 0.00038 0.00021 0.00000 0.00040 -0.00052 274 4PZ -0.00032 -0.00025 0.00000 -0.00036 -0.00014 275 13 H 1S 0.00385 0.00658 -0.00000 0.00501 0.01197 276 2S 0.00646 0.01110 -0.00000 0.00966 0.02042 277 3S 0.00651 0.00767 -0.00000 0.01228 0.02204 278 4PX 0.00000 0.00000 0.00365 0.00000 -0.00000 279 4PY 0.00060 0.00101 0.00000 0.00015 0.00109 280 4PZ -0.00122 -0.00126 -0.00000 -0.00011 -0.00260 141 142 143 144 145 141 3S 0.43815 142 3PX 0.00000 0.15722 143 3PY 0.02022 0.00000 0.17247 144 3PZ -0.00757 -0.00000 0.00978 0.17810 145 4S 0.19840 -0.00000 -0.00358 0.00729 0.10532 146 4PX -0.00000 0.13006 0.00000 -0.00000 -0.00000 147 4PY -0.00541 0.00000 0.08569 0.01069 -0.00568 148 4PZ 0.01721 -0.00000 -0.00558 0.09727 0.01124 149 5S -0.00620 -0.00000 -0.07537 0.13395 0.04458 150 5PX -0.00000 0.03404 0.00000 -0.00000 0.00000 151 5PY -0.02835 -0.00000 -0.00589 0.02304 -0.01086 152 5PZ 0.00297 -0.00000 -0.00396 0.01586 -0.00739 153 6D 0 0.00553 0.00000 0.00003 -0.00905 0.00159 154 6D+1 0.00000 -0.00192 0.00000 0.00000 0.00000 155 6D-1 0.00199 0.00000 0.00851 0.00123 0.00026 156 6D+2 -0.00796 0.00000 -0.00079 -0.00461 -0.00415 157 6D-2 -0.00000 0.00278 -0.00000 0.00000 -0.00000 158 7D 0 -0.00124 0.00000 -0.00208 -0.00540 -0.00058 159 7D+1 0.00000 -0.00213 0.00000 0.00000 0.00000 160 7D-1 0.00133 -0.00000 0.00189 0.00055 0.00079 161 7D+2 -0.00017 0.00000 -0.00162 -0.00304 -0.00072 162 7D-2 -0.00000 0.00354 0.00000 -0.00000 -0.00000 163 7 H 1S 0.08150 -0.00000 -0.08867 0.04829 0.04857 164 2S 0.10786 -0.00000 -0.13487 0.07362 0.06737 165 3S -0.00352 -0.00000 -0.05537 0.03742 0.00777 166 4PX 0.00000 0.00890 -0.00000 -0.00000 0.00000 167 4PY 0.01581 -0.00000 -0.00831 0.00754 0.00849 168 4PZ -0.00793 -0.00000 0.00726 0.00195 -0.00422 169 8 Mg 1S -0.00210 0.00000 -0.00134 -0.00148 -0.00369 170 2S -0.00566 0.00000 -0.00363 -0.00399 -0.01047 171 3S 0.01450 -0.00000 0.00930 0.01045 0.02491 172 4S 0.02037 -0.00000 0.01332 0.01502 0.02348 173 5S -0.05243 0.00000 -0.03588 -0.04213 -0.00652 174 6S -0.01822 -0.00000 -0.01701 0.01075 0.02095 175 7S -0.00158 -0.00000 0.00017 0.00029 -0.00219 176 7PX 0.00000 -0.00080 0.00000 0.00000 -0.00000 177 7PY 0.00156 -0.00000 0.00008 0.00050 0.00129 178 7PZ -0.00108 0.00000 -0.00055 -0.00012 0.00085 179 8PX 0.00000 -0.00524 0.00000 0.00000 -0.00000 180 8PY 0.00302 -0.00000 0.00177 0.00261 -0.00289 181 8PZ -0.00698 0.00000 -0.00453 -0.00359 0.00781 182 9PX 0.00000 -0.00728 0.00000 0.00000 -0.00000 183 9PY 0.00417 -0.00000 0.00249 0.00353 -0.00398 184 9PZ -0.00952 0.00000 -0.00619 -0.00481 0.01053 185 10PX -0.00000 0.00892 -0.00000 -0.00000 -0.00000 186 10PY -0.00358 0.00000 -0.00370 -0.00384 0.00234 187 10PZ 0.01457 -0.00000 0.01026 0.00757 0.01467 188 11PX -0.00000 0.01349 -0.00000 -0.00000 -0.00000 189 11PY 0.00151 0.00000 0.00421 -0.00466 0.00350 190 11PZ 0.01101 -0.00000 0.01451 0.00872 0.00223 191 12PX 0.00000 0.00888 0.00000 0.00000 0.00000 192 12PY 0.00601 0.00000 0.00443 -0.00376 0.00001 193 12PZ -0.02225 -0.00000 -0.01383 -0.01197 -0.03160 194 13D 0 -0.00454 0.00000 -0.00199 -0.00027 0.00076 195 13D+1 0.00000 -0.00650 -0.00000 0.00000 0.00000 196 13D-1 0.00313 -0.00000 0.00277 0.00298 0.00340 197 13D+2 -0.00034 0.00000 0.00038 -0.00067 -0.00029 198 13D-2 0.00000 -0.00069 -0.00000 -0.00000 -0.00000 199 14D 0 -0.00945 0.00000 -0.00697 -0.00463 0.00028 200 14D+1 0.00000 -0.01107 -0.00000 0.00000 0.00000 201 14D-1 -0.00179 -0.00000 -0.00378 0.00193 0.00525 202 14D+2 -0.00092 0.00000 0.00066 -0.00120 -0.00045 203 14D-2 0.00000 -0.00229 0.00000 0.00000 -0.00000 204 9 Br 1S -0.00006 0.00000 -0.00004 -0.00004 -0.00038 205 2S -0.00019 0.00000 -0.00013 -0.00013 -0.00124 206 3S 0.00052 -0.00000 0.00034 0.00034 0.00329 207 4S 0.00072 -0.00000 0.00044 0.00045 0.00397 208 5S -0.00152 0.00000 -0.00090 -0.00095 -0.00752 209 6S -0.00131 0.00000 -0.00106 -0.00124 -0.00942 210 7S 0.00109 -0.00000 0.00206 0.00327 0.01605 211 8S 0.01069 -0.00000 0.00532 0.00640 0.00912 212 9S 0.02773 0.00000 0.01779 0.00677 0.02302 213 9PX 0.00000 -0.00266 0.00000 0.00000 0.00000 214 9PY -0.00218 -0.00000 -0.00101 0.00065 0.00177 215 9PZ -0.00806 0.00000 -0.00606 -0.00223 -0.00739 216 10PX 0.00000 -0.00010 0.00000 0.00000 0.00000 217 10PY -0.00002 -0.00000 -0.00003 0.00000 0.00129 218 10PZ -0.00015 0.00000 -0.00020 -0.00014 -0.00099 219 11PX 0.00000 -0.00084 0.00000 0.00000 0.00000 220 11PY -0.00015 -0.00000 -0.00025 0.00003 0.01068 221 11PZ -0.00126 0.00000 -0.00165 -0.00116 -0.00800 222 12PX -0.00000 0.00217 -0.00000 -0.00000 -0.00000 223 12PY 0.00034 0.00000 0.00070 -0.00017 -0.02794 224 12PZ 0.00373 -0.00000 0.00432 0.00302 0.01747 225 13PX -0.00000 0.00073 -0.00000 -0.00000 -0.00000 226 13PY 0.00006 0.00000 0.00021 -0.00009 -0.01012 227 13PZ 0.00114 -0.00000 0.00151 0.00107 0.00641 228 14PX 0.00000 -0.00164 0.00000 0.00000 0.00000 229 14PY -0.00015 -0.00000 -0.00049 0.00019 0.02250 230 14PZ -0.00264 0.00000 -0.00343 -0.00249 -0.01438 231 15PX 0.00000 -0.00478 0.00000 0.00000 0.00000 232 15PY -0.00077 -0.00000 -0.00143 0.00032 0.05235 233 15PZ -0.00784 0.00000 -0.00869 -0.00654 -0.03404 234 16PX 0.00000 0.00055 0.00000 0.00000 0.00000 235 16PY 0.00009 0.00000 0.00001 0.00004 0.03361 236 16PZ -0.01111 0.00000 -0.00779 -0.00694 -0.02182 237 17D 0 0.00069 -0.00000 0.00006 -0.00007 -0.00974 238 17D+1 -0.00000 0.00030 0.00000 -0.00000 0.00000 239 17D-1 -0.00122 0.00000 0.00120 -0.00021 0.04983 240 17D+2 0.00018 -0.00000 0.00011 -0.00018 0.00150 241 17D-2 0.00000 0.00012 -0.00000 0.00000 -0.00000 242 18D 0 0.00037 0.00000 0.00003 0.00002 -0.00358 243 18D+1 -0.00000 -0.00016 0.00000 0.00000 0.00000 244 18D-1 -0.00037 0.00000 0.00043 -0.00003 0.01737 245 18D+2 0.00008 0.00000 0.00001 -0.00004 0.00053 246 18D-2 0.00000 0.00009 -0.00000 -0.00000 -0.00000 247 19D 0 -0.00041 0.00000 -0.00008 -0.00034 0.00035 248 19D+1 0.00000 0.00040 0.00000 -0.00000 0.00000 249 19D-1 -0.00015 0.00000 0.00005 -0.00007 0.00205 250 19D+2 -0.00002 -0.00000 0.00005 -0.00005 0.00007 251 19D-2 0.00000 -0.00008 -0.00000 0.00000 -0.00000 252 20D 0 0.00050 0.00000 -0.00001 -0.00048 0.00163 253 20D+1 -0.00000 -0.00156 -0.00000 0.00000 -0.00000 254 20D-1 0.00014 -0.00000 -0.00003 0.00022 -0.00137 255 20D+2 0.00007 0.00000 -0.00009 0.00006 0.00005 256 20D-2 -0.00000 0.00015 0.00000 -0.00000 0.00000 257 10 H 1S 0.01459 0.00000 0.01197 0.00704 0.00363 258 2S 0.01701 -0.00000 0.01901 0.01328 0.00286 259 3S 0.02795 -0.00000 0.02794 0.01851 0.01032 260 4PX 0.00000 -0.00061 0.00000 0.00000 -0.00000 261 4PY 0.00094 0.00000 0.00075 -0.00043 0.00015 262 4PZ -0.00046 0.00000 -0.00079 -0.00029 0.00048 263 11 H 1S 0.00298 0.00000 0.00207 -0.00122 0.00844 264 2S 0.00324 0.00000 0.00010 0.00001 0.01252 265 3S -0.00097 -0.00000 -0.00262 0.00170 0.00479 266 4PX 0.00000 -0.00398 -0.00000 0.00000 -0.00000 267 4PY 0.00006 -0.00000 0.00015 -0.00051 -0.00087 268 4PZ -0.00030 0.00000 -0.00056 -0.00041 0.00014 269 12 H 1S 0.01238 0.00000 0.00049 -0.01220 0.00336 270 2S 0.01526 0.00000 -0.00028 -0.02065 0.00343 271 3S 0.01349 0.00000 0.00213 -0.02400 0.00308 272 4PX 0.00000 -0.00072 0.00000 0.00000 0.00000 273 4PY 0.00070 0.00000 0.00050 -0.00070 0.00024 274 4PZ -0.00008 0.00000 -0.00049 -0.00010 -0.00021 275 13 H 1S -0.02145 -0.00000 0.00650 0.01798 -0.00701 276 2S -0.03561 -0.00000 0.01275 0.03044 -0.01276 277 3S -0.01321 -0.00000 0.01696 0.03168 -0.00601 278 4PX -0.00000 0.00561 0.00000 -0.00000 -0.00000 279 4PY -0.00324 0.00000 0.00017 0.00165 -0.00114 280 4PZ 0.00130 -0.00000 -0.00024 -0.00356 0.00047 146 147 148 149 150 146 4PX 0.10856 147 4PY 0.00000 0.04545 148 4PZ -0.00000 0.00052 0.05985 149 5S -0.00000 -0.03233 0.06438 0.70615 150 5PX 0.02878 0.00000 -0.00000 0.00000 0.00848 151 5PY 0.00000 -0.00605 0.00164 0.08588 -0.00000 152 5PZ -0.00000 -0.01081 -0.00220 -0.00651 -0.00000 153 6D 0 0.00000 -0.00070 -0.00518 -0.00922 -0.00000 154 6D+1 -0.00147 0.00000 0.00000 0.00000 -0.00003 155 6D-1 -0.00000 0.00427 -0.00022 -0.00589 -0.00000 156 6D+2 0.00000 -0.00038 -0.00311 -0.00431 -0.00000 157 6D-2 0.00224 -0.00000 0.00000 0.00000 0.00074 158 7D 0 0.00000 -0.00230 -0.00570 -0.00591 -0.00000 159 7D+1 -0.00139 0.00000 0.00000 0.00000 0.00075 160 7D-1 -0.00000 0.00040 -0.00253 -0.00741 -0.00000 161 7D+2 0.00000 -0.00166 -0.00301 -0.00119 -0.00000 162 7D-2 0.00279 0.00000 0.00000 0.00000 0.00134 163 7 H 1S -0.00000 -0.04523 0.03848 0.09038 -0.00000 164 2S -0.00000 -0.06857 0.05636 0.14223 -0.00000 165 3S -0.00000 -0.02448 0.02898 0.06777 0.00000 166 4PX 0.00742 -0.00000 -0.00000 0.00000 0.00197 167 4PY -0.00000 -0.00451 0.00538 0.01059 0.00000 168 4PZ -0.00000 0.00397 0.00024 -0.00296 -0.00000 169 8 Mg 1S 0.00000 -0.00003 -0.00044 -0.01142 -0.00000 170 2S 0.00000 -0.00007 -0.00109 -0.02942 -0.00000 171 3S -0.00000 0.00109 0.00455 0.06170 0.00000 172 4S -0.00000 0.00462 0.01214 0.05903 0.00000 173 5S 0.00000 -0.02663 -0.05994 -0.02305 -0.00000 174 6S 0.00000 -0.00615 -0.01267 0.06091 -0.00000 175 7S -0.00000 0.00028 0.00127 -0.00182 0.00000 176 7PX -0.00068 0.00000 0.00000 0.00000 -0.00024 177 7PY -0.00000 0.00005 0.00019 0.00212 0.00000 178 7PZ 0.00000 -0.00046 -0.00174 0.00071 -0.00000 179 8PX -0.00400 -0.00000 0.00000 0.00000 -0.00501 180 8PY 0.00000 -0.00327 -0.00573 0.28023 -0.00000 181 8PZ 0.00000 0.00331 -0.01117 0.08872 0.00000 182 9PX -0.00555 -0.00000 0.00000 0.00000 -0.00687 183 9PY 0.00000 -0.00443 -0.00781 0.38152 -0.00000 184 9PZ 0.00000 0.00445 -0.01509 0.12034 0.00000 185 10PX 0.00743 -0.00000 -0.00000 0.00000 0.00215 186 10PY 0.00000 -0.00154 -0.00355 0.05304 0.00000 187 10PZ -0.00000 0.00939 0.00768 0.02773 0.00000 188 11PX 0.01129 0.00000 -0.00000 0.00000 0.00418 189 11PY 0.00000 0.00287 -0.00296 -0.00574 0.00000 190 11PZ -0.00000 0.00898 0.01001 -0.00857 0.00000 191 12PX 0.00685 0.00000 -0.00000 0.00000 0.00192 192 12PY 0.00000 0.00179 -0.00159 -0.01716 -0.00000 193 12PZ -0.00000 -0.00578 0.00882 -0.02597 0.00000 194 13D 0 0.00000 -0.00121 -0.00392 0.00163 -0.00000 195 13D+1 -0.00545 -0.00000 0.00000 0.00000 -0.00212 196 13D-1 -0.00000 0.00154 0.00099 0.01193 0.00000 197 13D+2 0.00000 0.00014 -0.00044 -0.00086 0.00000 198 13D-2 -0.00060 -0.00000 0.00000 -0.00000 -0.00013 199 14D 0 0.00000 -0.00418 -0.00797 0.00113 -0.00000 200 14D+1 -0.00914 -0.00000 0.00000 0.00000 -0.00332 201 14D-1 -0.00000 -0.00105 -0.00003 0.02961 0.00000 202 14D+2 0.00000 0.00015 -0.00115 -0.00118 0.00000 203 14D-2 -0.00199 0.00000 0.00000 -0.00000 -0.00043 204 9 Br 1S -0.00000 0.00010 0.00019 -0.00134 0.00000 205 2S -0.00000 0.00030 0.00062 -0.00437 0.00000 206 3S 0.00000 -0.00098 -0.00169 0.01157 -0.00000 207 4S 0.00000 -0.00117 -0.00196 0.01441 -0.00000 208 5S -0.00000 0.00217 0.00356 -0.02887 0.00000 209 6S -0.00000 0.00162 0.00452 -0.03796 0.00000 210 7S 0.00000 0.00340 -0.00619 0.08064 0.00000 211 8S -0.00000 0.00467 0.00582 0.04425 0.00000 212 9S 0.00000 0.00707 -0.00374 0.00755 -0.00000 213 9PX -0.00205 0.00000 0.00000 0.00000 -0.00069 214 9PY -0.00000 -0.00005 -0.00019 0.01458 0.00000 215 9PZ -0.00000 -0.00254 0.00155 -0.00127 0.00000 216 10PX -0.00010 0.00000 -0.00000 0.00000 -0.00014 217 10PY 0.00000 0.00019 -0.00019 0.00689 0.00000 218 10PZ -0.00000 -0.00033 0.00028 0.00046 0.00000 219 11PX -0.00083 0.00000 -0.00000 0.00000 -0.00110 220 11PY 0.00000 0.00153 -0.00162 0.05645 0.00000 221 11PZ -0.00000 -0.00265 0.00224 0.00268 0.00000 222 12PX 0.00242 -0.00000 0.00000 -0.00000 0.00233 223 12PY -0.00000 -0.00368 0.00586 -0.13912 -0.00000 224 12PZ 0.00000 0.00498 -0.00437 0.01528 -0.00000 225 13PX 0.00083 -0.00000 0.00000 -0.00000 0.00085 226 13PY -0.00000 -0.00135 0.00207 -0.05065 -0.00000 227 13PZ 0.00000 0.00178 -0.00183 0.00510 -0.00000 228 14PX -0.00184 0.00000 -0.00000 0.00000 -0.00195 229 14PY 0.00000 0.00301 -0.00447 0.11372 0.00000 230 14PZ -0.00000 -0.00410 0.00393 -0.00984 0.00000 231 15PX -0.00504 0.00000 -0.00000 0.00000 -0.00470 232 15PY 0.00000 0.00692 -0.01054 0.26355 0.00000 233 15PZ -0.00000 -0.01033 0.00747 -0.02474 0.00000 234 16PX -0.00036 0.00000 -0.00000 0.00000 -0.00219 235 16PY 0.00000 0.00484 -0.00683 0.17065 0.00000 236 16PZ -0.00000 -0.00786 -0.00060 -0.01744 0.00000 237 17D 0 -0.00000 -0.01110 0.00220 0.01956 0.00000 238 17D+1 -0.00213 0.00000 -0.00000 0.00000 0.00186 239 17D-1 0.00000 0.01031 -0.01380 0.07252 0.00000 240 17D+2 0.00000 -0.00459 -0.00678 -0.04390 0.00000 241 17D-2 0.00018 -0.00000 0.00000 -0.00000 -0.00279 242 18D 0 -0.00000 -0.00389 0.00099 0.00646 0.00000 243 18D+1 -0.00095 0.00000 -0.00000 0.00000 0.00057 244 18D-1 0.00000 0.00359 -0.00478 0.02536 0.00000 245 18D+2 0.00000 -0.00160 -0.00233 -0.01517 0.00000 246 18D-2 0.00010 -0.00000 0.00000 -0.00000 -0.00096 247 19D 0 0.00000 -0.00054 -0.00088 0.00214 -0.00000 248 19D+1 0.00020 0.00000 0.00000 0.00000 0.00023 249 19D-1 0.00000 0.00047 -0.00064 0.00082 0.00000 250 19D+2 0.00000 -0.00024 -0.00041 -0.00248 0.00000 251 19D-2 -0.00007 -0.00000 0.00000 -0.00000 -0.00017 252 20D 0 0.00000 -0.00007 -0.00079 0.00220 -0.00000 253 20D+1 -0.00127 -0.00000 0.00000 -0.00000 -0.00020 254 20D-1 -0.00000 -0.00017 0.00033 -0.01213 -0.00000 255 20D+2 0.00000 -0.00014 -0.00008 -0.00087 0.00000 256 20D-2 0.00014 0.00000 0.00000 0.00000 -0.00003 257 10 H 1S -0.00000 0.00980 0.00791 0.02132 0.00000 258 2S -0.00000 0.01511 0.01180 0.02762 0.00000 259 3S -0.00000 0.01717 0.01429 -0.00370 0.00000 260 4PX -0.00085 -0.00000 0.00000 -0.00000 0.00014 261 4PY -0.00000 -0.00029 -0.00061 -0.00598 -0.00000 262 4PZ 0.00000 -0.00037 -0.00022 -0.00131 -0.00000 263 11 H 1S 0.00000 0.00307 -0.00237 -0.02264 -0.00000 264 2S 0.00000 0.00355 -0.00152 -0.02742 -0.00000 265 3S -0.00000 0.00066 0.00170 0.01653 0.00000 266 4PX -0.00390 -0.00000 0.00000 0.00000 -0.00117 267 4PY -0.00000 -0.00026 -0.00020 0.00607 0.00000 268 4PZ 0.00000 -0.00039 -0.00052 -0.00080 -0.00000 269 12 H 1S 0.00000 -0.00253 -0.01020 0.06243 0.00000 270 2S 0.00000 -0.00469 -0.01792 0.09396 0.00000 271 3S 0.00000 -0.00153 -0.01556 0.02049 0.00000 272 4PX -0.00112 0.00000 0.00000 -0.00000 -0.00086 273 4PY -0.00000 0.00033 -0.00035 -0.00370 -0.00000 274 4PZ 0.00000 -0.00058 -0.00063 0.00954 0.00000 275 13 H 1S -0.00000 0.01056 0.01005 -0.05669 -0.00000 276 2S -0.00000 0.01782 0.01755 -0.08507 0.00000 277 3S -0.00000 0.01303 0.01787 -0.02303 0.00000 278 4PX 0.00445 0.00000 -0.00000 0.00000 0.00068 279 4PY 0.00000 0.00098 0.00105 -0.00647 -0.00000 280 4PZ -0.00000 0.00015 -0.00189 -0.00830 -0.00000 151 152 153 154 155 151 5PY 0.05681 152 5PZ 0.06928 0.12659 153 6D 0 -0.00046 0.00130 0.00068 154 6D+1 -0.00000 -0.00000 -0.00000 0.00019 155 6D-1 -0.00015 0.00044 0.00006 0.00000 0.00064 156 6D+2 0.00030 0.00029 0.00022 -0.00000 -0.00003 157 6D-2 0.00000 -0.00000 -0.00000 0.00004 -0.00000 158 7D 0 0.00466 0.00803 0.00081 -0.00000 0.00025 159 7D+1 -0.00000 -0.00000 -0.00000 0.00053 0.00000 160 7D-1 0.00332 0.00586 0.00047 0.00000 0.00085 161 7D+2 0.00239 0.00385 0.00044 -0.00000 0.00007 162 7D-2 -0.00000 -0.00000 -0.00000 0.00025 -0.00000 163 7 H 1S 0.00293 0.00452 -0.00202 0.00000 -0.00449 164 2S 0.00789 0.00946 -0.00314 0.00000 -0.00680 165 3S 0.00151 -0.00528 -0.00314 0.00000 -0.00393 166 4PX 0.00000 -0.00000 -0.00000 -0.00010 -0.00000 167 4PY 0.00063 0.00156 -0.00018 0.00000 -0.00033 168 4PZ 0.00052 0.00007 -0.00017 0.00000 0.00034 169 8 Mg 1S -0.00304 -0.00160 0.00026 -0.00000 0.00009 170 2S -0.00826 -0.00469 0.00073 -0.00000 0.00023 171 3S 0.01440 0.00601 -0.00192 0.00000 -0.00059 172 4S -0.00013 -0.01250 -0.00257 0.00000 -0.00070 173 5S 0.09795 0.13319 0.00621 -0.00000 0.00120 174 6S 0.06568 0.06950 -0.00020 -0.00000 -0.00021 175 7S -0.00366 -0.00442 -0.00010 0.00000 -0.00007 176 7PX -0.00000 -0.00000 -0.00000 -0.00003 -0.00000 177 7PY -0.00059 -0.00111 0.00000 0.00000 0.00001 178 7PZ 0.00443 0.00557 0.00016 -0.00000 0.00012 179 8PX 0.00000 0.00000 -0.00000 -0.00018 -0.00000 180 8PY 0.08348 0.11277 -0.00004 0.00000 0.00015 181 8PZ 0.01322 -0.01284 0.00095 -0.00000 0.00037 182 9PX 0.00000 0.00000 -0.00000 -0.00024 -0.00000 183 9PY 0.11381 0.15386 -0.00005 0.00000 0.00021 184 9PZ 0.01781 -0.01757 0.00129 -0.00000 0.00050 185 10PX 0.00000 0.00000 0.00000 0.00027 0.00000 186 10PY 0.00592 0.00183 0.00003 -0.00000 -0.00029 187 10PZ -0.00112 -0.00969 -0.00167 0.00000 -0.00048 188 11PX 0.00000 0.00000 0.00000 0.00046 -0.00000 189 11PY -0.00907 -0.01675 0.00028 0.00000 0.00022 190 11PZ -0.01474 -0.01724 -0.00105 0.00000 0.00026 191 12PX 0.00000 0.00000 0.00000 0.00004 0.00000 192 12PY -0.00077 0.00208 0.00034 -0.00000 0.00030 193 12PZ -0.05056 -0.05949 -0.00041 -0.00000 -0.00139 194 13D 0 0.01023 0.01268 0.00035 -0.00000 0.00019 195 13D+1 -0.00000 -0.00000 0.00000 -0.00018 0.00000 196 13D-1 -0.00184 -0.00495 -0.00005 0.00000 0.00020 197 13D+2 -0.00013 0.00001 0.00003 0.00000 0.00002 198 13D-2 -0.00000 -0.00000 -0.00000 0.00002 -0.00000 199 14D 0 0.01559 0.01999 0.00065 -0.00000 0.00002 200 14D+1 -0.00000 -0.00000 -0.00000 -0.00024 0.00000 201 14D-1 -0.00304 -0.01058 -0.00020 -0.00000 -0.00023 202 14D+2 0.00098 0.00155 0.00010 0.00000 0.00007 203 14D-2 -0.00000 -0.00000 -0.00000 0.00007 0.00000 204 9 Br 1S -0.00071 -0.00066 0.00001 -0.00000 -0.00000 205 2S -0.00229 -0.00212 0.00004 -0.00000 -0.00000 206 3S 0.00629 0.00610 -0.00010 0.00000 0.00000 207 4S 0.00743 0.00699 -0.00012 0.00000 -0.00000 208 5S -0.01380 -0.01230 0.00025 -0.00000 0.00001 209 6S -0.01689 -0.01290 0.00027 -0.00000 -0.00001 210 7S 0.02266 0.00153 -0.00041 0.00000 0.00007 211 8S -0.00418 -0.01992 -0.00109 0.00000 -0.00028 212 9S 0.02439 0.03034 0.00036 0.00000 0.00122 213 9PX 0.00000 0.00000 0.00000 0.00001 0.00000 214 9PY -0.00194 -0.00647 -0.00009 0.00000 -0.00008 215 9PZ -0.00891 -0.01143 -0.00012 -0.00000 -0.00042 216 10PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 217 10PY -0.00154 -0.00402 -0.00001 0.00000 -0.00001 218 10PZ -0.00146 -0.00197 0.00003 -0.00000 0.00001 219 11PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 220 11PY -0.01235 -0.03242 -0.00007 0.00000 -0.00005 221 11PZ -0.01199 -0.01598 0.00027 -0.00000 0.00008 222 12PX -0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.02456 0.07023 0.00018 -0.00000 0.00012 224 12PZ 0.03097 0.03652 -0.00071 0.00000 -0.00021 225 13PX -0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00906 0.02575 0.00006 -0.00000 0.00004 227 13PZ 0.01168 0.01393 -0.00023 0.00000 -0.00006 228 14PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 229 14PY -0.02087 -0.05868 -0.00014 0.00000 -0.00009 230 14PZ -0.02546 -0.03061 0.00054 -0.00000 0.00014 231 15PX 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 232 15PY -0.04826 -0.13588 -0.00034 0.00000 -0.00023 233 15PZ -0.05683 -0.06749 0.00147 -0.00000 0.00043 234 16PX 0.00000 -0.00000 -0.00000 0.00004 -0.00000 235 16PY -0.03150 -0.08844 -0.00019 0.00000 -0.00010 236 16PZ -0.02603 -0.02974 0.00140 -0.00000 0.00044 237 17D 0 -0.00780 -0.00795 -0.00011 0.00000 -0.00001 238 17D+1 0.00000 0.00000 -0.00000 -0.00001 -0.00000 239 17D-1 -0.01217 -0.03690 -0.00007 -0.00000 -0.00007 240 17D+2 -0.02649 -0.03121 -0.00002 0.00000 0.00003 241 17D-2 0.00000 0.00000 0.00000 0.00003 0.00000 242 18D 0 -0.00333 -0.00343 -0.00005 0.00000 -0.00001 243 18D+1 0.00000 0.00000 -0.00000 -0.00001 -0.00000 244 18D-1 -0.00420 -0.01279 -0.00003 -0.00000 -0.00002 245 18D+2 -0.00918 -0.01082 -0.00001 0.00000 0.00001 246 18D-2 0.00000 0.00000 0.00000 0.00001 0.00000 247 19D 0 0.00229 0.00270 0.00004 -0.00000 0.00001 248 19D+1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 249 19D-1 -0.00020 -0.00063 0.00000 -0.00000 -0.00000 250 19D+2 -0.00145 -0.00169 0.00000 -0.00000 0.00000 251 19D-2 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 252 20D 0 0.00311 0.00367 -0.00005 0.00000 -0.00006 253 20D+1 0.00000 0.00000 0.00000 -0.00004 0.00000 254 20D-1 0.00234 0.00651 0.00001 -0.00000 0.00001 255 20D+2 -0.00063 -0.00076 -0.00000 0.00000 -0.00001 256 20D-2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 257 10 H 1S -0.00385 -0.02774 0.00034 0.00000 0.00058 258 2S -0.00363 -0.03799 0.00057 0.00000 0.00121 259 3S -0.01047 -0.02043 -0.00048 0.00000 0.00126 260 4PX 0.00000 0.00000 -0.00000 0.00020 0.00000 261 4PY -0.00019 0.00384 0.00001 0.00000 0.00003 262 4PZ -0.00048 0.00055 -0.00008 -0.00000 -0.00010 263 11 H 1S -0.00650 0.00581 -0.00025 0.00000 -0.00041 264 2S -0.01134 0.00573 -0.00066 0.00000 -0.00093 265 3S -0.00444 -0.00527 -0.00075 0.00000 -0.00113 266 4PX -0.00000 -0.00000 0.00000 0.00001 0.00000 267 4PY 0.00138 -0.00063 0.00006 -0.00000 0.00002 268 4PZ 0.00026 0.00162 0.00004 -0.00000 -0.00003 269 12 H 1S 0.00659 -0.01238 0.00032 0.00000 0.00072 270 2S 0.01211 -0.01571 0.00071 -0.00000 0.00119 271 3S 0.00109 -0.00574 0.00115 -0.00000 0.00077 272 4PX -0.00000 0.00000 0.00000 -0.00023 -0.00000 273 4PY -0.00091 -0.00090 0.00004 -0.00000 0.00012 274 4PZ 0.00158 -0.00119 -0.00003 0.00000 0.00003 275 13 H 1S -0.01058 -0.00515 -0.00071 0.00000 0.00308 276 2S -0.01774 -0.01086 -0.00140 0.00000 0.00469 277 3S -0.00794 -0.00855 -0.00175 0.00000 0.00243 278 4PX 0.00000 -0.00000 -0.00000 -0.00029 -0.00000 279 4PY -0.00101 -0.00013 -0.00005 0.00000 0.00026 280 4PZ -0.00149 -0.00058 0.00026 0.00000 0.00024 156 157 158 159 160 156 6D+2 0.00032 157 6D-2 -0.00000 0.00010 158 7D 0 0.00043 -0.00000 0.00281 159 7D+1 -0.00000 0.00021 -0.00000 0.00162 160 7D-1 0.00018 -0.00000 0.00239 0.00000 0.00357 161 7D+2 0.00026 -0.00000 0.00139 -0.00000 0.00114 162 7D-2 -0.00000 0.00025 -0.00000 0.00089 -0.00000 163 7 H 1S -0.00295 0.00000 -0.00228 0.00000 -0.00273 164 2S -0.00413 0.00000 -0.00254 0.00000 -0.00327 165 3S -0.00155 0.00000 -0.00525 0.00000 -0.00651 166 4PX -0.00000 0.00016 0.00000 -0.00009 -0.00000 167 4PY -0.00047 0.00000 -0.00006 -0.00000 0.00010 168 4PZ 0.00009 -0.00000 -0.00014 0.00000 0.00000 169 8 Mg 1S 0.00019 -0.00000 -0.00019 0.00000 -0.00045 170 2S 0.00052 -0.00000 -0.00060 0.00000 -0.00115 171 3S -0.00133 0.00000 0.00053 0.00000 0.00147 172 4S -0.00178 0.00000 -0.00293 0.00000 -0.00151 173 5S 0.00425 -0.00000 0.02510 -0.00000 0.02095 174 6S 0.00038 0.00000 0.00500 -0.00000 0.00398 175 7S 0.00000 0.00000 -0.00053 0.00000 -0.00053 176 7PX -0.00000 -0.00003 -0.00000 -0.00011 -0.00000 177 7PY -0.00004 -0.00000 0.00009 -0.00000 0.00006 178 7PZ 0.00009 -0.00000 0.00097 -0.00000 0.00100 179 8PX -0.00000 -0.00020 -0.00000 -0.00042 -0.00000 180 8PY -0.00012 -0.00000 0.00005 -0.00000 0.00000 181 8PZ 0.00062 -0.00000 0.00303 -0.00000 0.00299 182 9PX -0.00000 -0.00028 -0.00000 -0.00059 -0.00000 183 9PY -0.00016 -0.00000 0.00007 -0.00000 0.00000 184 9PZ 0.00084 -0.00000 0.00413 -0.00000 0.00407 185 10PX 0.00000 0.00037 0.00000 0.00107 0.00000 186 10PY 0.00010 0.00000 0.00028 0.00000 -0.00015 187 10PZ -0.00115 0.00000 -0.00700 0.00000 -0.00696 188 11PX 0.00000 0.00057 0.00000 0.00172 0.00000 189 11PY 0.00013 0.00000 0.00044 0.00000 0.00031 190 11PZ -0.00089 -0.00000 -0.00407 0.00000 -0.00300 191 12PX -0.00000 0.00031 0.00000 0.00035 0.00000 192 12PY 0.00004 -0.00000 -0.00002 0.00000 0.00027 193 12PZ 0.00079 0.00000 -0.00585 0.00000 -0.00635 194 13D 0 0.00025 -0.00000 0.00197 -0.00000 0.00179 195 13D+1 -0.00000 -0.00026 -0.00000 -0.00074 -0.00000 196 13D-1 -0.00009 -0.00000 0.00035 -0.00000 0.00030 197 13D+2 0.00002 0.00000 0.00004 0.00000 0.00003 198 13D-2 -0.00000 -0.00000 -0.00000 0.00005 -0.00000 199 14D 0 0.00057 -0.00000 0.00318 -0.00000 0.00251 200 14D+1 -0.00000 -0.00043 -0.00000 -0.00107 -0.00000 201 14D-1 -0.00006 0.00000 0.00044 -0.00000 0.00005 202 14D+2 0.00006 0.00000 0.00033 0.00000 0.00031 203 14D-2 -0.00000 -0.00000 -0.00000 0.00017 -0.00000 204 9 Br 1S 0.00001 -0.00000 0.00001 0.00000 0.00008 205 2S 0.00003 -0.00000 0.00004 0.00000 0.00026 206 3S -0.00008 0.00000 -0.00005 -0.00000 -0.00065 207 4S -0.00010 0.00000 -0.00010 -0.00000 -0.00082 208 5S 0.00021 -0.00000 0.00026 0.00000 0.00161 209 6S 0.00022 -0.00000 0.00044 0.00000 0.00198 210 7S -0.00024 0.00000 -0.00251 0.00000 -0.00431 211 8S -0.00077 0.00000 -0.00546 0.00000 -0.00599 212 9S -0.00091 -0.00000 0.00310 0.00000 0.00373 213 9PX -0.00000 -0.00008 0.00000 -0.00006 0.00000 214 9PY 0.00001 0.00000 0.00022 -0.00000 0.00001 215 9PZ 0.00027 0.00000 -0.00111 0.00000 -0.00132 216 10PX -0.00000 -0.00000 -0.00000 -0.00002 -0.00000 217 10PY -0.00000 0.00000 0.00014 -0.00000 0.00006 218 10PZ 0.00002 -0.00000 0.00013 -0.00000 0.00018 219 11PX -0.00000 -0.00002 -0.00000 -0.00015 -0.00000 220 11PY -0.00001 0.00000 0.00112 -0.00000 0.00046 221 11PZ 0.00017 -0.00000 0.00101 -0.00000 0.00144 222 12PX 0.00000 0.00004 0.00000 0.00037 0.00000 223 12PY 0.00002 -0.00000 -0.00293 0.00000 -0.00102 224 12PZ -0.00047 0.00000 -0.00208 0.00000 -0.00299 225 13PX 0.00000 0.00001 -0.00000 0.00014 0.00000 226 13PY 0.00001 -0.00000 -0.00106 0.00000 -0.00038 227 13PZ -0.00016 0.00000 -0.00063 0.00000 -0.00097 228 14PX -0.00000 -0.00003 0.00000 -0.00031 -0.00000 229 14PY -0.00002 0.00000 0.00237 -0.00000 0.00085 230 14PZ 0.00036 -0.00000 0.00153 -0.00000 0.00230 231 15PX -0.00000 -0.00011 -0.00000 -0.00076 -0.00000 232 15PY -0.00004 0.00000 0.00551 -0.00000 0.00195 233 15PZ 0.00097 -0.00000 0.00469 -0.00000 0.00647 234 16PX -0.00000 0.00006 -0.00000 -0.00026 -0.00000 235 16PY -0.00002 0.00000 0.00358 -0.00000 0.00130 236 16PZ 0.00098 -0.00000 0.00514 -0.00000 0.00600 237 17D 0 -0.00013 -0.00000 0.00120 -0.00000 0.00048 238 17D+1 0.00000 0.00018 0.00000 0.00006 0.00000 239 17D-1 -0.00001 0.00000 0.00295 -0.00000 0.00121 240 17D+2 -0.00005 -0.00000 0.00089 -0.00000 0.00002 241 17D-2 0.00000 0.00001 -0.00000 -0.00003 -0.00000 242 18D 0 -0.00005 0.00000 0.00036 -0.00000 0.00013 243 18D+1 0.00000 0.00005 0.00000 -0.00000 0.00000 244 18D-1 -0.00001 0.00000 0.00103 -0.00000 0.00042 245 18D+2 -0.00002 -0.00000 0.00030 -0.00000 0.00000 246 18D-2 0.00000 0.00000 -0.00000 -0.00001 -0.00000 247 19D 0 0.00002 -0.00000 0.00024 -0.00000 0.00011 248 19D+1 -0.00000 0.00002 -0.00000 0.00003 -0.00000 249 19D-1 0.00000 0.00000 0.00010 -0.00000 0.00004 250 19D+2 -0.00000 -0.00000 0.00006 -0.00000 0.00001 251 19D-2 -0.00000 0.00000 -0.00000 0.00001 -0.00000 252 20D 0 -0.00003 0.00000 -0.00029 0.00000 -0.00052 253 20D+1 0.00000 -0.00006 0.00000 -0.00013 0.00000 254 20D-1 -0.00001 -0.00000 -0.00022 0.00000 -0.00007 255 20D+2 -0.00000 0.00000 0.00001 0.00000 -0.00001 256 20D-2 0.00000 0.00000 0.00000 -0.00001 0.00000 257 10 H 1S 0.00017 -0.00000 -0.00175 0.00000 -0.00108 258 2S 0.00041 -0.00000 -0.00159 0.00000 -0.00009 259 3S -0.00069 -0.00000 -0.00343 0.00000 -0.00213 260 4PX -0.00000 0.00015 -0.00000 0.00061 0.00000 261 4PY -0.00004 0.00000 0.00019 0.00000 0.00003 262 4PZ -0.00006 0.00000 -0.00013 -0.00000 -0.00012 263 11 H 1S -0.00023 0.00000 -0.00042 -0.00000 -0.00064 264 2S -0.00045 0.00000 -0.00143 -0.00000 -0.00187 265 3S -0.00044 0.00000 -0.00181 0.00000 -0.00269 266 4PX -0.00000 -0.00001 -0.00000 -0.00005 -0.00000 267 4PY 0.00003 -0.00000 0.00010 -0.00000 -0.00000 268 4PZ 0.00003 0.00000 0.00019 -0.00000 0.00008 269 12 H 1S 0.00014 -0.00000 0.00021 -0.00000 0.00146 270 2S 0.00043 -0.00000 0.00129 -0.00000 0.00326 271 3S 0.00045 -0.00000 0.00103 -0.00000 0.00199 272 4PX 0.00000 -0.00008 0.00000 -0.00073 -0.00000 273 4PY 0.00001 -0.00000 -0.00003 -0.00000 0.00026 274 4PZ 0.00002 0.00000 0.00007 0.00000 0.00011 275 13 H 1S -0.00016 -0.00000 0.00053 0.00000 0.00596 276 2S -0.00028 -0.00000 -0.00009 0.00000 0.00835 277 3S -0.00066 -0.00000 -0.00179 0.00000 0.00321 278 4PX 0.00000 -0.00000 0.00000 -0.00076 -0.00000 279 4PY 0.00001 -0.00000 0.00011 -0.00000 0.00043 280 4PZ 0.00009 -0.00000 0.00032 0.00000 0.00067 161 162 163 164 165 161 7D+2 0.00092 162 7D-2 -0.00000 0.00077 163 7 H 1S -0.00091 0.00000 0.08396 164 2S -0.00080 0.00000 0.12403 0.18442 165 3S -0.00288 0.00000 0.04650 0.06933 0.04075 166 4PX 0.00000 0.00020 0.00000 0.00000 0.00000 167 4PY 0.00004 0.00000 0.01038 0.01529 0.00449 168 4PZ -0.00012 -0.00000 -0.00517 -0.00760 -0.00201 169 8 Mg 1S -0.00021 0.00000 -0.00076 -0.00171 -0.00057 170 2S -0.00051 0.00000 -0.00206 -0.00451 -0.00158 171 3S 0.00048 -0.00000 0.00538 0.01045 0.00516 172 4S -0.00122 0.00000 0.00712 0.01149 0.00939 173 5S 0.01220 -0.00000 -0.01691 -0.01549 -0.03508 174 6S 0.00215 -0.00000 0.00729 0.01399 0.00572 175 7S -0.00019 0.00000 -0.00017 -0.00041 0.00049 176 7PX -0.00000 -0.00009 0.00000 0.00000 0.00000 177 7PY 0.00003 -0.00000 0.00043 0.00063 -0.00007 178 7PZ 0.00043 -0.00000 -0.00042 -0.00018 -0.00120 179 8PX -0.00000 -0.00067 0.00000 0.00000 0.00000 180 8PY 0.00058 -0.00000 0.00025 0.00176 -0.00360 181 8PZ 0.00123 -0.00000 -0.00250 -0.00182 -0.00367 182 9PX -0.00000 -0.00092 0.00000 0.00000 0.00000 183 9PY 0.00079 -0.00000 0.00030 0.00233 -0.00494 184 9PZ 0.00168 -0.00000 -0.00336 -0.00241 -0.00498 185 10PX 0.00000 0.00099 -0.00000 -0.00000 -0.00000 186 10PY 0.00006 0.00000 0.00045 0.00118 0.00036 187 10PZ -0.00384 0.00000 0.00403 0.00298 0.01269 188 11PX 0.00000 0.00155 -0.00000 -0.00000 -0.00000 189 11PY 0.00015 0.00000 -0.00362 -0.00545 -0.00310 190 11PZ -0.00231 0.00000 -0.00071 -0.00262 0.00410 191 12PX 0.00000 0.00072 -0.00000 -0.00000 -0.00000 192 12PY 0.00012 0.00000 -0.00265 -0.00428 -0.00277 193 12PZ -0.00125 0.00000 -0.00005 -0.00215 0.00406 194 13D 0 0.00085 -0.00000 -0.00095 -0.00056 -0.00211 195 13D+1 0.00000 -0.00067 0.00000 0.00000 0.00000 196 13D-1 0.00013 -0.00000 -0.00018 -0.00030 -0.00130 197 13D+2 0.00002 0.00000 -0.00051 -0.00076 -0.00036 198 13D-2 -0.00000 0.00002 0.00000 0.00000 0.00000 199 14D 0 0.00158 -0.00000 -0.00110 -0.00027 -0.00308 200 14D+1 0.00000 -0.00110 0.00000 0.00000 0.00000 201 14D-1 0.00001 -0.00000 0.00252 0.00412 0.00137 202 14D+2 0.00015 0.00000 -0.00109 -0.00150 -0.00099 203 14D-2 -0.00000 0.00008 -0.00000 -0.00000 0.00000 204 9 Br 1S 0.00002 -0.00000 -0.00003 0.00002 -0.00005 205 2S 0.00008 -0.00000 -0.00009 0.00006 -0.00017 206 3S -0.00016 0.00000 0.00025 -0.00013 0.00037 207 4S -0.00022 0.00000 0.00034 -0.00014 0.00051 208 5S 0.00045 -0.00000 -0.00070 0.00021 -0.00107 209 6S 0.00074 -0.00000 -0.00067 0.00056 -0.00152 210 7S -0.00280 0.00000 0.00084 -0.00206 0.00483 211 8S -0.00340 0.00000 0.00376 0.00203 0.00823 212 9S 0.00015 -0.00000 -0.00165 -0.00197 -0.00449 213 9PX 0.00000 -0.00018 -0.00000 -0.00000 -0.00000 214 9PY 0.00001 -0.00000 0.00038 0.00074 0.00029 215 9PZ -0.00009 0.00000 0.00092 0.00112 0.00158 216 10PX -0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00003 -0.00000 0.00002 0.00010 -0.00020 218 10PZ 0.00011 -0.00000 -0.00007 -0.00002 -0.00046 219 11PX -0.00000 0.00002 0.00000 0.00000 0.00000 220 11PY 0.00024 -0.00000 0.00020 0.00082 -0.00164 221 11PZ 0.00087 -0.00000 -0.00058 -0.00022 -0.00369 222 12PX 0.00000 0.00002 -0.00000 -0.00000 -0.00000 223 12PY -0.00062 0.00000 -0.00053 -0.00200 0.00365 224 12PZ -0.00159 0.00000 0.00159 0.00137 0.00823 225 13PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 226 13PY -0.00023 0.00000 -0.00019 -0.00072 0.00136 227 13PZ -0.00053 0.00000 0.00049 0.00041 0.00283 228 14PX -0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00050 -0.00000 0.00042 0.00161 -0.00307 230 14PZ 0.00128 -0.00000 -0.00114 -0.00089 -0.00647 231 15PX -0.00000 -0.00009 0.00000 0.00000 0.00000 232 15PY 0.00115 -0.00000 0.00103 0.00384 -0.00697 233 15PZ 0.00352 -0.00000 -0.00341 -0.00269 -0.01679 234 16PX -0.00000 0.00029 0.00000 0.00000 0.00000 235 16PY 0.00078 -0.00000 0.00016 0.00168 -0.00500 236 16PZ 0.00324 -0.00000 -0.00416 -0.00369 -0.01351 237 17D 0 0.00093 -0.00000 0.00028 -0.00026 -0.00480 238 17D+1 -0.00000 -0.00074 -0.00000 0.00000 0.00000 239 17D-1 0.00023 -0.00000 -0.00013 0.00264 -0.00269 240 17D+2 0.00077 0.00000 -0.00006 0.00104 -0.00205 241 17D-2 -0.00000 0.00007 -0.00000 -0.00000 0.00000 242 18D 0 0.00031 -0.00000 0.00016 -0.00002 -0.00163 243 18D+1 -0.00000 -0.00028 -0.00000 0.00000 0.00000 244 18D-1 0.00008 -0.00000 -0.00003 0.00095 -0.00094 245 18D+2 0.00026 0.00000 0.00001 0.00040 -0.00069 246 18D-2 -0.00000 0.00002 -0.00000 -0.00000 0.00000 247 19D 0 0.00009 -0.00000 -0.00018 -0.00027 -0.00030 248 19D+1 -0.00000 -0.00001 0.00000 0.00000 0.00000 249 19D-1 -0.00000 -0.00000 -0.00004 0.00007 -0.00006 250 19D+2 0.00005 -0.00000 -0.00005 -0.00001 -0.00015 251 19D-2 -0.00000 0.00001 0.00000 0.00000 0.00000 252 20D 0 -0.00020 0.00000 0.00024 0.00009 0.00085 253 20D+1 0.00000 -0.00020 -0.00000 -0.00000 -0.00000 254 20D-1 -0.00006 0.00000 0.00012 0.00014 0.00040 255 20D+2 0.00001 0.00000 0.00009 0.00015 0.00001 256 20D-2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 257 10 H 1S 0.00014 0.00000 -0.00289 -0.00604 -0.00406 258 2S 0.00082 0.00000 -0.00604 -0.01090 -0.00857 259 3S -0.00109 0.00000 -0.00406 -0.00857 -0.00359 260 4PX -0.00000 0.00054 -0.00000 -0.00000 -0.00000 261 4PY 0.00002 0.00000 -0.00025 -0.00036 -0.00036 262 4PZ -0.00016 -0.00000 0.00061 0.00104 0.00107 263 11 H 1S 0.00024 0.00000 0.00143 0.00431 0.00562 264 2S -0.00001 0.00000 0.00478 0.01036 0.01165 265 3S -0.00074 0.00000 0.00555 0.01000 0.01121 266 4PX -0.00000 0.00008 -0.00000 -0.00000 -0.00000 267 4PY 0.00001 -0.00000 -0.00035 -0.00069 -0.00063 268 4PZ 0.00014 -0.00000 0.00013 0.00035 0.00003 269 12 H 1S 0.00144 -0.00000 -0.00316 -0.00479 -0.00892 270 2S 0.00279 -0.00000 -0.00622 -0.00876 -0.01561 271 3S 0.00141 -0.00000 -0.00751 -0.01134 -0.01177 272 4PX 0.00000 -0.00030 -0.00000 -0.00000 0.00000 273 4PY -0.00000 -0.00000 -0.00059 -0.00099 -0.00088 274 4PZ 0.00021 0.00000 0.00003 0.00011 -0.00062 275 13 H 1S -0.00225 -0.00000 -0.00769 -0.01347 -0.00572 276 2S -0.00364 -0.00000 -0.01268 -0.02201 -0.00821 277 3S -0.00178 -0.00000 -0.00544 -0.00937 -0.00351 278 4PX 0.00000 -0.00026 0.00000 0.00000 0.00000 279 4PY -0.00030 -0.00000 -0.00068 -0.00125 -0.00004 280 4PZ 0.00000 -0.00000 -0.00124 -0.00208 -0.00177 166 167 168 169 170 166 4PX 0.00051 167 4PY 0.00000 0.00147 168 4PZ -0.00000 -0.00064 0.00051 169 8 Mg 1S -0.00000 -0.00018 0.00008 0.36844 170 2S -0.00000 -0.00047 0.00023 0.60325 1.01189 171 3S 0.00000 0.00102 -0.00048 -0.12771 -0.33740 172 4S 0.00000 0.00102 -0.00032 -0.12363 -0.31785 173 5S 0.00000 -0.00075 -0.00086 0.00232 0.00579 174 6S 0.00000 0.00118 -0.00014 -0.01999 -0.05584 175 7S -0.00000 -0.00009 0.00004 0.00090 0.00247 176 7PX -0.00005 -0.00000 0.00000 0.00000 0.00000 177 7PY 0.00000 0.00008 -0.00003 -0.00000 -0.00000 178 7PZ 0.00000 0.00005 -0.00001 -0.00073 -0.00205 179 8PX -0.00034 0.00000 0.00000 -0.00000 -0.00000 180 8PY -0.00000 0.00023 0.00005 0.00000 0.00000 181 8PZ 0.00000 -0.00009 0.00003 0.00081 0.00216 182 9PX -0.00047 -0.00000 0.00000 -0.00000 -0.00000 183 9PY -0.00000 0.00032 0.00008 0.00000 0.00000 184 9PZ 0.00000 -0.00012 0.00004 0.00081 0.00228 185 10PX 0.00053 0.00000 -0.00000 0.00000 0.00000 186 10PY 0.00000 -0.00011 -0.00018 -0.00000 -0.00000 187 10PZ -0.00000 0.00001 0.00041 -0.00161 -0.00418 188 11PX 0.00081 0.00000 -0.00000 -0.00000 -0.00000 189 11PY 0.00000 -0.00038 0.00008 0.00000 0.00000 190 11PZ -0.00000 -0.00017 0.00048 0.00514 0.01409 191 12PX 0.00048 0.00000 -0.00000 -0.00000 -0.00000 192 12PY 0.00000 -0.00017 0.00007 0.00000 0.00000 193 12PZ -0.00000 -0.00110 -0.00029 0.01010 0.02756 194 13D 0 0.00000 0.00003 0.00002 0.00176 0.00449 195 13D+1 -0.00037 -0.00000 0.00000 -0.00000 -0.00000 196 13D-1 -0.00000 0.00011 0.00005 0.00000 0.00000 197 13D+2 0.00000 -0.00007 0.00002 0.00010 0.00026 198 13D-2 -0.00004 -0.00000 -0.00000 -0.00000 -0.00000 199 14D 0 0.00000 -0.00002 -0.00016 -0.00465 -0.01335 200 14D+1 -0.00062 -0.00000 0.00000 0.00000 0.00000 201 14D-1 0.00000 0.00022 -0.00019 -0.00000 -0.00000 202 14D+2 0.00000 -0.00011 0.00003 -0.00004 -0.00012 203 14D-2 -0.00013 -0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 0.00000 -0.00001 -0.00004 -0.00012 205 2S 0.00000 0.00001 -0.00002 -0.00014 -0.00037 206 3S -0.00000 -0.00003 0.00006 0.00038 0.00099 207 4S -0.00000 -0.00004 0.00007 0.00047 0.00130 208 5S 0.00000 0.00007 -0.00014 -0.00095 -0.00264 209 6S 0.00000 0.00011 -0.00021 -0.00094 -0.00241 210 7S -0.00000 -0.00030 0.00057 0.00089 0.00195 211 8S -0.00000 -0.00000 0.00035 0.00359 0.01057 212 9S 0.00000 0.00063 0.00029 -0.00329 -0.00845 213 9PX -0.00013 0.00000 0.00000 -0.00000 -0.00000 214 9PY -0.00000 -0.00001 -0.00003 0.00000 0.00000 215 9PZ 0.00000 -0.00016 -0.00013 0.00077 0.00194 216 10PX -0.00000 -0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 -0.00002 -0.00000 -0.00000 218 10PZ 0.00000 0.00001 -0.00003 -0.00024 -0.00065 219 11PX -0.00001 -0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00002 -0.00017 -0.00000 -0.00000 221 11PZ 0.00000 0.00004 -0.00020 -0.00198 -0.00533 222 12PX 0.00003 0.00000 -0.00000 -0.00000 -0.00000 223 12PY -0.00000 -0.00002 0.00041 0.00000 0.00000 224 12PZ -0.00000 -0.00000 0.00039 0.00514 0.01396 225 13PX 0.00001 0.00000 -0.00000 -0.00000 -0.00000 226 13PY -0.00000 -0.00001 0.00015 0.00000 0.00000 227 13PZ -0.00000 -0.00000 0.00015 0.00194 0.00510 228 14PX -0.00002 -0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 0.00002 -0.00034 -0.00000 -0.00000 230 14PZ 0.00000 0.00001 -0.00034 -0.00418 -0.01105 231 15PX -0.00009 -0.00000 0.00000 0.00000 0.00000 232 15PY 0.00000 0.00005 -0.00079 -0.00000 -0.00000 233 15PZ 0.00000 0.00003 -0.00081 -0.00980 -0.02675 234 16PX 0.00015 0.00000 0.00000 0.00000 0.00000 235 16PY 0.00000 -0.00001 -0.00048 -0.00000 -0.00000 236 16PZ 0.00000 -0.00010 -0.00051 -0.00655 -0.01811 237 17D 0 0.00000 0.00003 -0.00009 -0.00021 -0.00060 238 17D+1 0.00001 -0.00000 -0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00013 -0.00022 -0.00000 -0.00000 240 17D+2 0.00000 0.00011 0.00000 -0.00000 0.00000 241 17D-2 0.00001 -0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 0.00001 -0.00004 -0.00015 -0.00042 243 18D+1 -0.00001 -0.00000 -0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00005 -0.00008 -0.00000 -0.00000 245 18D+2 0.00000 0.00004 0.00000 -0.00000 0.00000 246 18D-2 0.00001 -0.00000 0.00000 0.00000 0.00000 247 19D 0 -0.00000 -0.00002 0.00001 0.00041 0.00108 248 19D+1 0.00002 0.00000 -0.00000 -0.00000 -0.00000 249 19D-1 0.00000 0.00000 -0.00000 0.00000 0.00000 250 19D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 251 19D-2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 252 20D 0 0.00000 -0.00002 0.00003 0.00081 0.00236 253 20D+1 -0.00010 -0.00000 0.00000 -0.00000 -0.00000 254 20D-1 -0.00000 0.00003 0.00003 0.00000 0.00000 255 20D+2 0.00000 0.00001 -0.00000 0.00000 0.00000 256 20D-2 0.00001 0.00000 -0.00000 -0.00000 -0.00000 257 10 H 1S -0.00000 0.00025 0.00061 -0.00076 -0.00206 258 2S -0.00000 0.00036 0.00104 -0.00171 -0.00451 259 3S -0.00000 0.00036 0.00107 -0.00057 -0.00158 260 4PX -0.00005 -0.00000 0.00000 0.00000 0.00000 261 4PY -0.00000 -0.00003 -0.00002 0.00018 0.00047 262 4PZ 0.00000 0.00002 -0.00005 0.00008 0.00023 263 11 H 1S 0.00000 0.00027 -0.00019 -0.00036 -0.00097 264 2S 0.00000 0.00059 -0.00039 -0.00029 -0.00081 265 3S 0.00000 0.00040 -0.00025 -0.00022 -0.00048 266 4PX -0.00026 -0.00000 0.00000 -0.00000 -0.00000 267 4PY -0.00000 -0.00005 0.00002 -0.00001 -0.00002 268 4PZ 0.00000 0.00002 -0.00004 0.00006 0.00017 269 12 H 1S 0.00000 -0.00014 -0.00063 0.00016 0.00044 270 2S 0.00000 -0.00031 -0.00100 0.00002 0.00003 271 3S 0.00000 -0.00069 -0.00059 0.00041 0.00110 272 4PX -0.00008 -0.00000 0.00000 -0.00000 -0.00000 273 4PY -0.00000 -0.00004 0.00001 0.00000 0.00000 274 4PZ 0.00000 0.00002 -0.00006 0.00001 0.00002 275 13 H 1S -0.00000 -0.00086 0.00105 -0.00036 -0.00097 276 2S -0.00000 -0.00143 0.00181 -0.00029 -0.00081 277 3S -0.00000 -0.00026 0.00135 -0.00022 -0.00048 278 4PX 0.00030 0.00000 -0.00000 -0.00000 -0.00000 279 4PY 0.00000 -0.00012 0.00012 0.00001 0.00002 280 4PZ -0.00000 -0.00013 -0.00005 0.00006 0.00017 171 172 173 174 175 171 3S 0.72547 172 4S 0.65805 0.60463 173 5S -0.02837 -0.08179 0.41837 174 6S 0.11983 0.07541 0.24451 0.28400 175 7S -0.00506 -0.00263 -0.01440 -0.01366 0.00086 176 7PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 177 7PY 0.00000 0.00000 0.00000 0.00000 -0.00000 178 7PZ 0.00401 0.00130 0.01729 0.01191 -0.00067 179 8PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 180 8PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 181 8PZ -0.00577 -0.00589 0.01336 0.02800 -0.00055 182 9PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 183 9PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 184 9PZ -0.00678 -0.00696 0.01755 0.03742 -0.00072 185 10PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 186 10PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 187 10PZ 0.00946 0.01059 -0.01299 0.06044 -0.00194 188 11PX 0.00000 0.00000 0.00000 0.00000 -0.00000 189 11PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 190 11PZ -0.02937 -0.01837 -0.06014 -0.04686 0.00278 191 12PX 0.00000 0.00000 0.00000 0.00000 -0.00000 192 12PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 193 12PZ -0.05452 -0.02515 -0.17974 -0.16760 0.01013 194 13D 0 -0.01085 -0.01534 0.04123 0.02844 -0.00160 195 13D+1 0.00000 0.00000 -0.00000 -0.00000 0.00000 196 13D-1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 197 13D+2 -0.00058 -0.00052 -0.00001 -0.00060 0.00002 198 13D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 199 14D 0 0.02950 0.01795 0.06400 0.05319 -0.00269 200 14D+1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 201 14D-1 0.00000 0.00000 0.00000 0.00000 -0.00000 202 14D+2 0.00011 -0.00043 0.00393 0.00109 -0.00010 203 14D-2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 204 9 Br 1S 0.00028 0.00032 -0.00062 -0.00297 0.00010 205 2S 0.00091 0.00104 -0.00201 -0.00959 0.00033 206 3S -0.00241 -0.00269 0.00540 0.02611 -0.00091 207 4S -0.00328 -0.00348 0.00593 0.03132 -0.00113 208 5S 0.00664 0.00679 -0.01040 -0.05935 0.00228 209 6S 0.00566 0.00705 -0.01675 -0.07309 0.00298 210 7S -0.00386 -0.00915 0.02777 0.10859 -0.00553 211 8S -0.02395 -0.01570 -0.05023 0.01767 -0.00085 212 9S 0.01388 0.00146 0.08263 0.06755 -0.00531 213 9PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 214 9PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 215 9PZ -0.00254 0.00194 -0.03178 -0.02555 0.00185 216 10PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 217 10PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 218 10PZ 0.00166 0.00239 -0.00631 -0.00780 0.00039 219 11PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 220 11PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 221 11PZ 0.01372 0.01967 -0.05195 -0.06441 0.00322 222 12PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 223 12PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 224 12PZ -0.03630 -0.04998 0.13362 0.16944 -0.00777 225 13PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 226 13PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 227 13PZ -0.01282 -0.01810 0.05027 0.06233 -0.00290 228 14PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 229 14PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 230 14PZ 0.02795 0.03964 -0.10987 -0.13695 0.00644 231 15PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 232 15PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 233 15PZ 0.06943 0.09481 -0.24558 -0.31691 0.01466 234 16PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 235 16PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 236 16PZ 0.04559 0.05597 -0.11426 -0.17437 0.00814 237 17D 0 0.00175 0.00310 -0.01627 0.01532 -0.01119 238 17D+1 -0.00000 -0.00000 0.00000 -0.00000 0.00000 239 17D-1 0.00000 0.00000 -0.00000 0.00000 -0.00000 240 17D+2 -0.00003 0.00012 -0.00525 -0.00310 -0.00053 241 17D-2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 242 18D 0 0.00117 0.00190 -0.00802 0.00309 -0.00379 243 18D+1 -0.00000 -0.00000 0.00000 -0.00000 0.00000 244 18D-1 0.00000 0.00000 -0.00000 0.00000 -0.00000 245 18D+2 -0.00001 0.00005 -0.00187 -0.00109 -0.00018 246 18D-2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 247 19D 0 -0.00277 -0.00388 0.01014 0.01180 -0.00114 248 19D+1 0.00000 0.00000 -0.00000 -0.00000 0.00000 249 19D-1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 250 19D+2 -0.00000 -0.00001 -0.00020 -0.00015 -0.00003 251 19D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 252 20D 0 -0.00633 -0.00761 0.01421 0.02015 -0.00126 253 20D+1 0.00000 0.00000 -0.00000 -0.00000 0.00000 254 20D-1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 255 20D+2 0.00000 0.00004 -0.00035 -0.00020 -0.00000 256 20D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 257 10 H 1S 0.00538 0.00712 -0.01691 0.00729 -0.00017 258 2S 0.01045 0.01149 -0.01549 0.01399 -0.00041 259 3S 0.00516 0.00939 -0.03508 0.00572 0.00049 260 4PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 261 4PY -0.00102 -0.00102 0.00075 -0.00118 0.00009 262 4PZ -0.00048 -0.00032 -0.00086 -0.00014 0.00004 263 11 H 1S 0.00261 0.00368 -0.01070 0.00412 -0.00031 264 2S 0.00286 0.00558 -0.02360 0.00562 -0.00025 265 3S 0.00169 0.00476 -0.02433 -0.00438 0.00042 266 4PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 267 4PY -0.00001 -0.00021 0.00161 -0.00046 0.00002 268 4PZ -0.00043 -0.00057 0.00134 0.00016 -0.00006 269 12 H 1S -0.00116 -0.00170 0.00505 0.00132 0.00012 270 2S -0.00067 -0.00307 0.01851 0.00529 -0.00006 271 3S -0.00285 -0.00412 0.01173 0.00049 -0.00020 272 4PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 273 4PY -0.00000 -0.00000 0.00000 0.00000 0.00000 274 4PZ -0.00008 -0.00023 0.00119 0.00043 0.00003 275 13 H 1S 0.00261 0.00368 -0.01070 0.00412 -0.00031 276 2S 0.00286 0.00558 -0.02360 0.00562 -0.00025 277 3S 0.00169 0.00476 -0.02433 -0.00438 0.00042 278 4PX 0.00000 0.00000 -0.00000 0.00000 0.00000 279 4PY 0.00001 0.00021 -0.00161 0.00046 -0.00002 280 4PZ -0.00043 -0.00057 0.00134 0.00016 -0.00006 176 177 178 179 180 176 7PX 0.00003 177 7PY 0.00000 0.00007 178 7PZ -0.00000 0.00000 0.00083 179 8PX -0.00229 -0.00000 0.00000 0.44494 180 8PY -0.00000 -0.00073 0.00000 0.00000 0.44446 181 8PZ 0.00000 0.00000 0.00030 -0.00000 0.00000 182 9PX -0.00312 -0.00000 0.00000 0.60666 0.00000 183 9PY -0.00000 -0.00100 0.00000 0.00000 0.60580 184 9PZ 0.00000 0.00000 0.00039 -0.00000 0.00000 185 10PX -0.00034 -0.00000 0.00000 0.04712 0.00000 186 10PY -0.00000 0.00027 -0.00000 0.00000 0.05046 187 10PZ 0.00000 -0.00000 -0.00015 -0.00000 -0.00000 188 11PX -0.00005 0.00000 0.00000 -0.01871 -0.00000 189 11PY 0.00000 0.00037 -0.00000 -0.00000 -0.02601 190 11PZ 0.00000 -0.00000 -0.00239 0.00000 -0.00000 191 12PX -0.00012 -0.00000 0.00000 0.00731 0.00000 192 12PY -0.00000 -0.00016 -0.00000 0.00000 -0.00164 193 12PZ 0.00000 -0.00000 -0.00910 -0.00000 0.00000 194 13D 0 -0.00000 0.00000 0.00178 -0.00000 0.00000 195 13D+1 0.00013 0.00000 -0.00000 0.00103 0.00000 196 13D-1 0.00000 0.00030 0.00000 0.00000 0.00001 197 13D+2 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 198 13D-2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 199 14D 0 -0.00000 0.00000 0.00294 0.00000 -0.00000 200 14D+1 0.00021 0.00000 -0.00000 -0.00086 0.00000 201 14D-1 0.00000 0.00054 0.00000 0.00000 0.00130 202 14D+2 -0.00000 -0.00000 0.00015 0.00000 -0.00000 203 14D-2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 204 9 Br 1S 0.00000 -0.00000 -0.00010 -0.00000 0.00000 205 2S 0.00000 -0.00000 -0.00033 -0.00000 0.00000 206 3S -0.00000 0.00000 0.00090 0.00000 -0.00000 207 4S -0.00000 0.00000 0.00104 0.00000 -0.00000 208 5S 0.00000 -0.00000 -0.00184 -0.00000 0.00000 209 6S 0.00000 -0.00000 -0.00229 -0.00000 0.00000 210 7S -0.00000 0.00000 0.00287 0.00000 -0.00000 211 8S 0.00000 -0.00000 -0.00153 0.00000 -0.00000 212 9S -0.00000 0.00000 0.00424 0.00000 -0.00000 213 9PX 0.00006 0.00000 0.00000 -0.00167 -0.00000 214 9PY 0.00000 0.00026 -0.00000 -0.00000 -0.00097 215 9PZ 0.00000 -0.00000 -0.00160 -0.00000 0.00000 216 10PX 0.00006 0.00000 0.00000 -0.00050 -0.00000 217 10PY 0.00000 0.00018 -0.00000 -0.00000 -0.00051 218 10PZ 0.00000 -0.00000 -0.00025 -0.00000 0.00000 219 11PX 0.00043 0.00000 0.00000 -0.00410 -0.00000 220 11PY 0.00000 0.00145 -0.00000 -0.00000 -0.00417 221 11PZ 0.00000 -0.00000 -0.00207 -0.00000 0.00000 222 12PX -0.00042 -0.00000 -0.00000 0.01074 0.00000 223 12PY -0.00000 -0.00286 0.00000 0.00000 0.01094 224 12PZ -0.00000 0.00000 0.00600 0.00000 -0.00000 225 13PX -0.00017 -0.00000 -0.00000 0.00381 0.00000 226 13PY -0.00000 -0.00106 0.00000 0.00000 0.00389 227 13PZ -0.00000 0.00000 0.00224 0.00000 -0.00000 228 14PX 0.00042 0.00000 0.00000 -0.00864 -0.00000 229 14PY 0.00000 0.00242 -0.00000 -0.00000 -0.00883 230 14PZ 0.00000 -0.00000 -0.00484 -0.00000 0.00000 231 15PX 0.00097 0.00000 0.00000 -0.02038 -0.00000 232 15PY 0.00000 0.00561 -0.00000 -0.00000 -0.02073 233 15PZ 0.00000 -0.00000 -0.01087 -0.00000 0.00000 234 16PX 0.00059 0.00000 0.00000 -0.01297 -0.00000 235 16PY 0.00000 0.00363 -0.00000 -0.00000 -0.01341 236 16PZ 0.00000 -0.00000 -0.00497 -0.00000 0.00000 237 17D 0 0.00000 -0.00000 -0.00517 0.00000 -0.00000 238 17D+1 0.00080 0.00000 0.00000 0.00010 0.00000 239 17D-1 0.00000 0.00305 -0.00000 0.00000 0.00012 240 17D+2 -0.00000 -0.00000 0.00098 -0.00000 -0.00000 241 17D-2 0.00000 -0.00000 0.00000 0.00000 -0.00000 242 18D 0 0.00000 -0.00000 -0.00191 0.00000 -0.00000 243 18D+1 0.00028 0.00000 0.00000 0.00017 0.00000 244 18D-1 0.00000 0.00106 -0.00000 0.00000 0.00021 245 18D+2 -0.00000 -0.00000 0.00034 -0.00000 -0.00000 246 18D-2 0.00000 -0.00000 0.00000 0.00000 -0.00000 247 19D 0 -0.00000 0.00000 0.00021 -0.00000 0.00000 248 19D+1 0.00003 0.00000 -0.00000 -0.00009 -0.00000 249 19D-1 0.00000 0.00010 0.00000 -0.00000 -0.00016 250 19D+2 -0.00000 -0.00000 0.00006 0.00000 0.00000 251 19D-2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 252 20D 0 -0.00000 0.00000 0.00046 0.00000 -0.00000 253 20D+1 -0.00001 -0.00000 -0.00000 0.00111 0.00000 254 20D-1 -0.00000 -0.00022 0.00000 0.00000 0.00119 255 20D+2 -0.00000 0.00000 0.00001 -0.00000 -0.00000 256 20D-2 -0.00000 0.00000 -0.00000 0.00000 -0.00000 257 10 H 1S 0.00000 -0.00043 -0.00042 0.00000 -0.00025 258 2S -0.00000 -0.00063 -0.00018 0.00000 -0.00176 259 3S 0.00000 0.00007 -0.00120 0.00000 0.00360 260 4PX -0.00005 -0.00000 0.00000 -0.00034 -0.00000 261 4PY 0.00000 0.00008 -0.00005 -0.00000 0.00023 262 4PZ 0.00000 0.00003 -0.00001 0.00000 -0.00005 263 11 H 1S -0.00000 -0.00006 0.00032 0.00000 -0.00042 264 2S -0.00000 -0.00006 0.00015 0.00000 -0.00053 265 3S 0.00000 -0.00003 -0.00049 0.00000 -0.00185 266 4PX 0.00002 0.00000 -0.00000 0.00010 0.00000 267 4PY 0.00000 0.00000 -0.00001 -0.00000 -0.00001 268 4PZ -0.00000 -0.00000 0.00007 -0.00000 0.00001 269 12 H 1S -0.00000 0.00000 0.00015 -0.00000 0.00000 270 2S -0.00000 0.00000 0.00066 -0.00000 0.00000 271 3S -0.00000 0.00000 0.00028 -0.00000 0.00000 272 4PX 0.00005 0.00000 -0.00000 0.00028 0.00000 273 4PY 0.00000 -0.00000 0.00000 0.00000 -0.00003 274 4PZ -0.00000 0.00000 0.00004 -0.00000 0.00000 275 13 H 1S -0.00000 0.00006 0.00032 0.00000 0.00042 276 2S -0.00000 0.00006 0.00015 0.00000 0.00053 277 3S 0.00000 0.00003 -0.00049 0.00000 0.00185 278 4PX 0.00002 0.00000 -0.00000 0.00010 0.00000 279 4PY 0.00000 0.00000 0.00001 0.00000 -0.00001 280 4PZ -0.00000 0.00000 0.00007 -0.00000 -0.00001 181 182 183 184 185 181 8PZ 0.45735 182 9PX -0.00000 0.82715 183 9PY 0.00000 0.00000 0.82571 184 9PZ 0.62043 -0.00000 0.00000 0.84168 185 10PX -0.00000 0.06419 0.00000 -0.00000 0.00954 186 10PY -0.00000 0.00000 0.06872 -0.00000 0.00000 187 10PZ 0.03310 -0.00000 -0.00000 0.04467 -0.00000 188 11PX 0.00000 -0.02559 -0.00000 0.00000 0.00373 189 11PY -0.00000 -0.00000 -0.03548 -0.00000 0.00000 190 11PZ -0.02473 0.00000 -0.00000 -0.03350 -0.00000 191 12PX -0.00000 0.00995 0.00000 -0.00000 0.00256 192 12PY 0.00000 0.00000 -0.00221 0.00000 0.00000 193 12PZ -0.00031 -0.00000 0.00000 -0.00002 0.00000 194 13D 0 0.00261 -0.00000 0.00000 0.00345 -0.00000 195 13D+1 -0.00000 0.00138 0.00000 -0.00000 0.00095 196 13D-1 0.00000 0.00000 -0.00002 0.00000 0.00000 197 13D+2 0.00019 -0.00000 0.00000 0.00026 -0.00000 198 13D-2 -0.00000 0.00000 0.00000 -0.00000 0.00000 199 14D 0 -0.00090 0.00000 -0.00000 -0.00129 -0.00000 200 14D+1 0.00000 -0.00119 0.00000 0.00000 0.00060 201 14D-1 -0.00000 0.00000 0.00171 -0.00000 0.00000 202 14D+2 0.00011 0.00000 -0.00000 0.00015 0.00000 203 14D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 204 9 Br 1S 0.00046 -0.00000 0.00000 0.00065 0.00000 205 2S 0.00149 -0.00000 0.00000 0.00210 0.00000 206 3S -0.00400 0.00000 -0.00000 -0.00565 -0.00000 207 4S -0.00502 0.00000 -0.00000 -0.00708 -0.00000 208 5S 0.00997 -0.00000 0.00000 0.01405 0.00000 209 6S 0.01188 -0.00000 0.00000 0.01669 0.00000 210 7S -0.02040 0.00000 -0.00000 -0.02831 -0.00000 211 8S -0.01333 0.00000 -0.00000 -0.01839 -0.00000 212 9S -0.00562 0.00000 -0.00000 -0.00783 -0.00000 213 9PX -0.00000 -0.00230 -0.00000 -0.00000 0.00125 214 9PY 0.00000 -0.00000 -0.00136 0.00000 0.00000 215 9PZ 0.00331 -0.00000 0.00000 0.00457 0.00000 216 10PX -0.00000 -0.00070 -0.00000 -0.00000 0.00097 217 10PY 0.00000 -0.00000 -0.00071 0.00000 0.00000 218 10PZ 0.00126 -0.00000 0.00000 0.00175 0.00000 219 11PX -0.00000 -0.00574 -0.00000 -0.00000 0.00799 220 11PY 0.00000 -0.00000 -0.00585 0.00000 0.00000 221 11PZ 0.01040 -0.00000 0.00000 0.01443 0.00000 222 12PX 0.00000 0.01498 0.00000 0.00000 -0.02077 223 12PY -0.00000 0.00000 0.01528 -0.00000 -0.00000 224 12PZ -0.02741 0.00000 -0.00000 -0.03770 -0.00000 225 13PX 0.00000 0.00532 0.00000 0.00000 -0.00756 226 13PY -0.00000 0.00000 0.00544 -0.00000 -0.00000 227 13PZ -0.00900 0.00000 -0.00000 -0.01241 -0.00000 228 14PX -0.00000 -0.01206 -0.00000 -0.00000 0.01695 229 14PY 0.00000 -0.00000 -0.01234 0.00000 0.00000 230 14PZ 0.02068 -0.00000 0.00000 0.02855 0.00000 231 15PX -0.00000 -0.02843 -0.00000 -0.00000 0.03900 232 15PY 0.00000 -0.00000 -0.02897 0.00000 0.00000 233 15PZ 0.05431 -0.00000 0.00000 0.07483 0.00000 234 16PX -0.00000 -0.01811 -0.00000 -0.00000 0.02639 235 16PY 0.00000 -0.00000 -0.01874 0.00000 0.00000 236 16PZ 0.03581 -0.00000 0.00000 0.04926 0.00000 237 17D 0 -0.00065 0.00000 -0.00000 -0.00100 0.00000 238 17D+1 0.00000 0.00020 0.00000 0.00000 -0.00018 239 17D-1 -0.00000 0.00000 0.00001 -0.00000 0.00000 240 17D+2 0.00000 -0.00000 -0.00000 -0.00006 -0.00000 241 17D-2 0.00000 0.00000 -0.00000 0.00000 -0.00000 242 18D 0 -0.00076 0.00000 -0.00000 -0.00106 0.00000 243 18D+1 0.00000 0.00025 0.00000 0.00000 -0.00011 244 18D-1 -0.00000 0.00000 0.00023 -0.00000 0.00000 245 18D+2 0.00000 -0.00000 -0.00000 -0.00002 -0.00000 246 18D-2 0.00000 0.00000 -0.00000 0.00000 -0.00000 247 19D 0 0.00045 -0.00000 0.00000 0.00057 -0.00000 248 19D+1 -0.00000 -0.00012 -0.00000 -0.00000 -0.00038 249 19D-1 0.00000 -0.00000 -0.00021 0.00000 -0.00000 250 19D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 251 19D-2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 252 20D 0 -0.00510 0.00000 -0.00000 -0.00701 -0.00000 253 20D+1 0.00000 0.00155 0.00000 0.00000 -0.00254 254 20D-1 -0.00000 0.00000 0.00166 -0.00000 -0.00000 255 20D+2 0.00002 -0.00000 -0.00000 0.00003 0.00000 256 20D-2 0.00000 0.00000 -0.00000 0.00000 -0.00000 257 10 H 1S -0.00250 0.00000 -0.00030 -0.00336 -0.00000 258 2S -0.00182 0.00000 -0.00233 -0.00241 -0.00000 259 3S -0.00367 0.00000 0.00494 -0.00498 -0.00000 260 4PX 0.00000 -0.00047 -0.00000 0.00000 0.00053 261 4PY 0.00009 -0.00000 0.00032 0.00012 0.00000 262 4PZ 0.00003 0.00000 -0.00008 0.00004 -0.00000 263 11 H 1S -0.00107 0.00000 -0.00059 -0.00143 -0.00000 264 2S -0.00332 0.00000 -0.00075 -0.00446 -0.00000 265 3S -0.00213 0.00000 -0.00254 -0.00286 -0.00000 266 4PX -0.00000 0.00013 0.00000 -0.00000 -0.00019 267 4PY 0.00020 -0.00000 -0.00001 0.00027 0.00000 268 4PZ 0.00015 -0.00000 0.00001 0.00020 0.00000 269 12 H 1S 0.00026 -0.00000 0.00000 0.00035 0.00000 270 2S 0.00216 -0.00000 0.00000 0.00293 0.00000 271 3S 0.00096 -0.00000 0.00000 0.00128 0.00000 272 4PX -0.00000 0.00039 0.00000 -0.00000 -0.00051 273 4PY 0.00000 0.00000 -0.00004 0.00000 -0.00000 274 4PZ 0.00017 -0.00000 0.00000 0.00023 0.00000 275 13 H 1S -0.00107 0.00000 0.00059 -0.00143 -0.00000 276 2S -0.00332 0.00000 0.00075 -0.00446 -0.00000 277 3S -0.00213 0.00000 0.00254 -0.00286 -0.00000 278 4PX -0.00000 0.00013 0.00000 -0.00000 -0.00019 279 4PY -0.00020 0.00000 -0.00001 -0.00027 -0.00000 280 4PZ 0.00015 -0.00000 -0.00001 0.00020 0.00000 186 187 188 189 190 186 10PY 0.00925 187 10PZ 0.00000 0.04522 188 11PX 0.00000 -0.00000 0.00812 189 11PY -0.00020 0.00000 0.00000 0.00440 190 11PZ 0.00000 0.00012 -0.00000 0.00000 0.01732 191 12PX 0.00000 0.00000 0.00196 0.00000 -0.00000 192 12PY -0.00140 -0.00000 0.00000 -0.00036 0.00000 193 12PZ -0.00000 -0.02494 -0.00000 0.00000 0.02650 194 13D 0 -0.00000 0.00146 0.00000 -0.00000 -0.00582 195 13D+1 0.00000 -0.00000 0.00059 0.00000 0.00000 196 13D-1 0.00174 0.00000 0.00000 0.00174 -0.00000 197 13D+2 -0.00000 -0.00018 -0.00000 -0.00000 0.00004 198 13D-2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 199 14D 0 -0.00000 0.00342 0.00000 -0.00000 -0.01119 200 14D+1 0.00000 -0.00000 0.00041 0.00000 0.00000 201 14D-1 0.00389 0.00000 0.00000 0.00276 -0.00000 202 14D+2 -0.00000 -0.00073 0.00000 -0.00000 -0.00049 203 14D-2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 204 9 Br 1S -0.00000 -0.00067 -0.00000 0.00000 0.00178 205 2S -0.00000 -0.00215 -0.00000 0.00000 0.00572 206 3S 0.00000 0.00583 0.00000 -0.00000 -0.01599 207 4S 0.00000 0.00714 0.00000 -0.00000 -0.01930 208 5S -0.00000 -0.01386 -0.00000 0.00000 0.03656 209 6S -0.00000 -0.01686 -0.00000 0.00000 0.04087 210 7S 0.00000 0.02599 0.00000 -0.00000 -0.04566 211 8S 0.00000 0.01730 0.00000 -0.00000 -0.01584 212 9S 0.00000 0.00729 0.00000 -0.00000 -0.01127 213 9PX 0.00000 0.00000 0.00164 0.00000 -0.00000 214 9PY 0.00202 -0.00000 0.00000 0.00178 0.00000 215 9PZ -0.00000 -0.00319 -0.00000 0.00000 0.00339 216 10PX 0.00000 0.00000 0.00116 0.00000 -0.00000 217 10PY 0.00101 -0.00000 0.00000 0.00093 -0.00000 218 10PZ -0.00000 -0.00271 -0.00000 -0.00000 0.00056 219 11PX 0.00000 0.00000 0.00957 0.00000 -0.00000 220 11PY 0.00836 -0.00000 0.00000 0.00772 -0.00000 221 11PZ -0.00000 -0.02232 -0.00000 -0.00000 0.00466 222 12PX -0.00000 -0.00000 -0.02550 -0.00000 0.00000 223 12PY -0.02181 0.00000 -0.00000 -0.02072 0.00000 224 12PZ 0.00000 0.05804 0.00000 0.00000 -0.01212 225 13PX -0.00000 -0.00000 -0.00925 -0.00000 0.00000 226 13PY -0.00793 0.00000 -0.00000 -0.00752 0.00000 227 13PZ 0.00000 0.02088 0.00000 0.00000 -0.00470 228 14PX 0.00000 0.00000 0.02070 0.00000 -0.00000 229 14PY 0.01775 -0.00000 0.00000 0.01683 -0.00000 230 14PZ -0.00000 -0.04603 -0.00000 -0.00000 0.01036 231 15PX 0.00000 0.00000 0.04774 0.00000 -0.00000 232 15PY 0.04105 -0.00000 0.00000 0.03894 -0.00000 233 15PZ -0.00000 -0.11023 -0.00000 -0.00000 0.02236 234 16PX 0.00000 0.00000 0.03222 0.00000 -0.00000 235 16PY 0.02683 -0.00000 0.00000 0.02555 -0.00000 236 16PZ -0.00000 -0.06937 -0.00000 -0.00000 0.01037 237 17D 0 -0.00000 -0.00820 0.00000 -0.00000 -0.05385 238 17D+1 0.00000 0.00000 0.00725 0.00000 0.00000 239 17D-1 0.00149 -0.00000 0.00000 -0.00101 -0.00000 240 17D+2 -0.00000 0.00060 -0.00000 0.00000 -0.00007 241 17D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 -0.00000 -0.00337 0.00000 -0.00000 -0.01840 243 18D+1 0.00000 0.00000 0.00244 0.00000 0.00000 244 18D-1 0.00054 -0.00000 0.00000 -0.00036 -0.00000 245 18D+2 -0.00000 0.00021 -0.00000 0.00000 -0.00002 246 18D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00228 0.00000 -0.00000 -0.00440 248 19D+1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 249 19D-1 -0.00040 0.00000 -0.00000 -0.00044 -0.00000 250 19D+2 0.00000 0.00002 0.00000 0.00000 -0.00001 251 19D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 252 20D 0 0.00000 0.00661 0.00000 -0.00000 -0.00364 253 20D+1 -0.00000 -0.00000 -0.00296 -0.00000 0.00000 254 20D-1 -0.00220 0.00000 -0.00000 -0.00218 -0.00000 255 20D+2 0.00000 0.00001 0.00000 0.00000 0.00002 256 20D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 257 10 H 1S -0.00045 0.00403 0.00000 0.00362 -0.00071 258 2S -0.00118 0.00298 0.00000 0.00545 -0.00262 259 3S -0.00036 0.01269 -0.00000 0.00310 0.00410 260 4PX 0.00000 -0.00000 0.00081 0.00000 -0.00000 261 4PY -0.00011 -0.00001 0.00000 -0.00038 0.00017 262 4PZ 0.00018 0.00041 -0.00000 -0.00008 0.00048 263 11 H 1S 0.00104 0.00200 -0.00000 -0.00017 0.00197 264 2S 0.00179 0.00534 -0.00000 -0.00031 0.00391 265 3S 0.00122 0.00313 -0.00000 -0.00005 0.00437 266 4PX -0.00000 0.00000 -0.00034 -0.00000 0.00000 267 4PY -0.00011 -0.00038 0.00000 -0.00001 -0.00026 268 4PZ 0.00002 -0.00039 0.00000 -0.00015 -0.00029 269 12 H 1S -0.00000 -0.00049 0.00000 -0.00000 -0.00169 270 2S -0.00000 -0.00322 0.00000 -0.00000 -0.00445 271 3S -0.00000 -0.00155 0.00000 -0.00000 -0.00280 272 4PX -0.00000 0.00000 -0.00086 -0.00000 0.00000 273 4PY 0.00000 -0.00000 -0.00000 0.00015 -0.00000 274 4PZ -0.00000 -0.00029 0.00000 -0.00000 -0.00026 275 13 H 1S -0.00104 0.00200 -0.00000 0.00017 0.00197 276 2S -0.00179 0.00534 -0.00000 0.00031 0.00391 277 3S -0.00122 0.00313 -0.00000 0.00005 0.00437 278 4PX -0.00000 0.00000 -0.00034 -0.00000 0.00000 279 4PY -0.00011 0.00038 -0.00000 -0.00001 0.00026 280 4PZ -0.00002 -0.00039 0.00000 0.00015 -0.00029 191 192 193 194 195 191 12PX 0.00138 192 12PY 0.00000 0.00121 193 12PZ -0.00000 0.00000 0.13544 194 13D 0 0.00000 -0.00000 -0.02095 0.00473 195 13D+1 -0.00025 -0.00000 0.00000 -0.00000 0.00196 196 13D-1 -0.00000 -0.00064 -0.00000 0.00000 0.00000 197 13D+2 -0.00000 0.00000 0.00033 -0.00003 -0.00000 198 13D-2 -0.00000 0.00000 0.00000 -0.00000 0.00000 199 14D 0 0.00000 -0.00000 -0.03253 0.00647 -0.00000 200 14D+1 -0.00075 -0.00000 0.00000 -0.00000 0.00273 201 14D-1 -0.00000 -0.00199 -0.00000 0.00000 0.00000 202 14D+2 0.00000 0.00000 -0.00134 0.00033 -0.00000 203 14D-2 -0.00000 0.00000 0.00000 -0.00000 0.00000 204 9 Br 1S -0.00000 0.00000 0.00219 -0.00040 0.00000 205 2S -0.00000 0.00000 0.00702 -0.00131 0.00000 206 3S 0.00000 -0.00000 -0.01950 0.00348 -0.00000 207 4S 0.00000 -0.00000 -0.02335 0.00420 -0.00000 208 5S -0.00000 0.00000 0.04409 -0.00807 0.00000 209 6S -0.00000 0.00000 0.05161 -0.01067 0.00000 210 7S 0.00000 -0.00000 -0.06252 0.02052 -0.00000 211 8S 0.00000 -0.00000 -0.00553 0.00433 -0.00000 212 9S 0.00000 -0.00000 -0.07212 0.00999 -0.00000 213 9PX 0.00007 -0.00000 -0.00000 0.00000 0.00130 214 9PY -0.00000 -0.00089 0.00000 -0.00000 0.00000 215 9PZ -0.00000 0.00000 0.02572 -0.00370 0.00000 216 10PX 0.00025 -0.00000 -0.00000 0.00000 0.00069 217 10PY -0.00000 -0.00037 0.00000 -0.00000 0.00000 218 10PZ -0.00000 0.00000 0.00504 -0.00086 -0.00000 219 11PX 0.00206 -0.00000 -0.00000 0.00000 0.00570 220 11PY -0.00000 -0.00310 0.00000 -0.00000 0.00000 221 11PZ -0.00000 0.00000 0.04128 -0.00698 -0.00000 222 12PX -0.00493 0.00000 0.00000 -0.00000 -0.01472 223 12PY 0.00000 0.00820 -0.00000 0.00000 -0.00000 224 12PZ 0.00000 -0.00000 -0.10187 0.01650 0.00000 225 13PX -0.00181 0.00000 0.00000 -0.00000 -0.00535 226 13PY 0.00000 0.00296 -0.00000 0.00000 -0.00000 227 13PZ 0.00000 -0.00000 -0.03788 0.00618 0.00000 228 14PX 0.00411 -0.00000 -0.00000 0.00000 0.01200 229 14PY -0.00000 -0.00656 0.00000 -0.00000 0.00000 230 14PZ -0.00000 0.00000 0.08361 -0.01366 -0.00000 231 15PX 0.00932 -0.00000 -0.00000 0.00000 0.02781 232 15PY -0.00000 -0.01534 0.00000 -0.00000 0.00000 233 15PZ -0.00000 0.00000 0.19120 -0.03117 -0.00000 234 16PX 0.00667 -0.00000 -0.00000 0.00000 0.01806 235 16PY -0.00000 -0.00970 0.00000 -0.00000 0.00000 236 16PZ -0.00000 0.00000 0.10369 -0.01557 -0.00000 237 17D 0 0.00000 -0.00000 -0.04337 -0.00233 0.00000 238 17D+1 -0.00405 -0.00000 0.00000 0.00000 0.00120 239 17D-1 -0.00000 -0.01767 -0.00000 -0.00000 0.00000 240 17D+2 0.00000 0.00000 -0.00852 -0.00021 -0.00000 241 17D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 -0.00000 -0.01365 -0.00112 0.00000 243 18D+1 -0.00144 -0.00000 0.00000 0.00000 0.00043 244 18D-1 -0.00000 -0.00615 -0.00000 -0.00000 0.00000 245 18D+2 0.00000 0.00000 -0.00293 -0.00008 -0.00000 246 18D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 -0.00000 -0.00930 0.00127 -0.00000 248 19D+1 -0.00027 -0.00000 0.00000 -0.00000 -0.00024 249 19D-1 -0.00000 -0.00077 -0.00000 0.00000 -0.00000 250 19D+2 0.00000 0.00000 -0.00051 -0.00000 0.00000 251 19D-2 -0.00000 0.00000 0.00000 -0.00000 -0.00000 252 20D 0 0.00000 -0.00000 -0.01287 0.00198 -0.00000 253 20D+1 -0.00086 -0.00000 0.00000 -0.00000 -0.00137 254 20D-1 -0.00000 0.00032 -0.00000 0.00000 -0.00000 255 20D+2 0.00000 -0.00000 -0.00005 -0.00003 0.00000 256 20D-2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 257 10 H 1S 0.00000 0.00265 -0.00005 -0.00095 0.00000 258 2S 0.00000 0.00428 -0.00215 -0.00056 0.00000 259 3S -0.00000 0.00277 0.00406 -0.00211 0.00000 260 4PX 0.00048 0.00000 0.00000 0.00000 -0.00037 261 4PY -0.00000 -0.00017 0.00110 -0.00003 -0.00000 262 4PZ -0.00000 -0.00007 -0.00029 0.00002 0.00000 263 11 H 1S 0.00000 -0.00039 -0.00194 0.00015 -0.00000 264 2S -0.00000 -0.00078 -0.00007 -0.00034 -0.00000 265 3S -0.00000 -0.00066 0.00367 -0.00135 0.00000 266 4PX 0.00014 0.00000 -0.00000 -0.00000 0.00011 267 4PY 0.00000 -0.00000 0.00006 -0.00000 0.00000 268 4PZ -0.00000 -0.00020 -0.00004 0.00010 -0.00000 269 12 H 1S -0.00000 0.00000 0.00606 -0.00013 -0.00000 270 2S -0.00000 0.00000 0.00679 0.00067 -0.00000 271 3S -0.00000 0.00000 0.00431 0.00016 -0.00000 272 4PX -0.00001 0.00000 -0.00000 -0.00000 0.00034 273 4PY 0.00000 0.00016 0.00000 0.00000 0.00000 274 4PZ -0.00000 0.00000 0.00054 0.00006 -0.00000 275 13 H 1S 0.00000 0.00039 -0.00194 0.00015 0.00000 276 2S 0.00000 0.00078 -0.00007 -0.00034 0.00000 277 3S -0.00000 0.00066 0.00367 -0.00135 0.00000 278 4PX 0.00014 -0.00000 -0.00000 -0.00000 0.00011 279 4PY 0.00000 -0.00000 -0.00006 0.00000 0.00000 280 4PZ 0.00000 0.00020 -0.00004 0.00010 -0.00000 196 197 198 199 200 196 13D-1 0.00149 197 13D+2 -0.00000 0.00001 198 13D-2 -0.00000 0.00000 0.00001 199 14D 0 0.00000 -0.00006 -0.00000 0.01271 200 14D+1 0.00000 -0.00000 0.00000 -0.00000 0.00406 201 14D-1 0.00229 -0.00000 -0.00000 0.00000 0.00000 202 14D+2 -0.00000 0.00001 -0.00000 0.00047 -0.00000 203 14D-2 -0.00000 0.00000 0.00002 -0.00000 0.00000 204 9 Br 1S -0.00000 0.00001 0.00000 0.00001 0.00000 205 2S -0.00000 0.00002 0.00000 -0.00002 0.00000 206 3S 0.00000 -0.00007 -0.00000 -0.00036 -0.00000 207 4S 0.00000 -0.00009 -0.00000 -0.00042 -0.00000 208 5S -0.00000 0.00016 0.00000 0.00049 0.00000 209 6S -0.00000 0.00016 0.00000 -0.00324 0.00000 210 7S 0.00000 -0.00004 -0.00000 0.02342 -0.00000 211 8S 0.00000 -0.00002 -0.00000 0.00013 0.00000 212 9S 0.00000 -0.00013 -0.00000 0.01273 -0.00000 213 9PX 0.00000 -0.00000 0.00000 0.00000 0.00174 214 9PY 0.00131 -0.00000 -0.00000 -0.00000 0.00000 215 9PZ -0.00000 0.00004 0.00000 -0.00488 0.00000 216 10PX 0.00000 -0.00000 0.00000 0.00000 0.00082 217 10PY 0.00069 -0.00000 -0.00000 -0.00000 0.00000 218 10PZ -0.00000 0.00001 0.00000 -0.00142 -0.00000 219 11PX 0.00000 -0.00000 0.00000 0.00000 0.00685 220 11PY 0.00571 -0.00000 -0.00000 -0.00000 0.00000 221 11PZ -0.00000 0.00012 0.00000 -0.01149 -0.00000 222 12PX -0.00000 0.00000 -0.00000 -0.00000 -0.01889 223 12PY -0.01470 0.00000 0.00000 0.00000 -0.00000 224 12PZ 0.00000 -0.00033 -0.00000 0.02566 0.00000 225 13PX -0.00000 0.00000 -0.00000 -0.00000 -0.00682 226 13PY -0.00535 0.00000 0.00000 0.00000 -0.00000 227 13PZ 0.00000 -0.00012 -0.00000 0.00964 0.00000 228 14PX 0.00000 -0.00000 0.00000 0.00000 0.01518 229 14PY 0.01200 -0.00000 -0.00000 -0.00000 0.00000 230 14PZ -0.00000 0.00026 0.00000 -0.02139 -0.00000 231 15PX 0.00000 -0.00000 0.00000 0.00000 0.03536 232 15PY 0.02774 -0.00000 -0.00000 -0.00000 0.00000 233 15PZ -0.00000 0.00062 0.00000 -0.04865 -0.00000 234 16PX 0.00000 -0.00000 0.00000 0.00000 0.02264 235 16PY 0.01817 -0.00000 -0.00000 -0.00000 0.00000 236 16PZ -0.00000 0.00039 0.00000 -0.02372 -0.00000 237 17D 0 -0.00000 -0.00004 0.00000 -0.00987 -0.00000 238 17D+1 0.00000 -0.00000 0.00000 -0.00000 0.01702 239 17D-1 0.00085 -0.00000 -0.00000 -0.00000 0.00000 240 17D+2 -0.00000 0.00073 0.00000 0.00352 -0.00000 241 17D-2 -0.00000 0.00000 0.00042 0.00000 0.00000 242 18D 0 -0.00000 -0.00001 0.00000 -0.00388 -0.00000 243 18D+1 0.00000 -0.00000 0.00000 -0.00000 0.00595 244 18D-1 0.00030 -0.00000 -0.00000 -0.00000 0.00000 245 18D+2 -0.00000 0.00025 0.00000 0.00121 -0.00000 246 18D-2 -0.00000 -0.00000 0.00015 0.00000 0.00000 247 19D 0 0.00000 -0.00001 -0.00000 0.00151 -0.00000 248 19D+1 -0.00000 0.00000 -0.00000 -0.00000 0.00052 249 19D-1 -0.00025 0.00000 0.00000 0.00000 0.00000 250 19D+2 0.00000 0.00004 0.00000 0.00020 -0.00000 251 19D-2 0.00000 0.00000 0.00002 -0.00000 0.00000 252 20D 0 0.00000 -0.00003 -0.00000 0.00272 -0.00000 253 20D+1 -0.00000 0.00000 -0.00000 -0.00000 -0.00127 254 20D-1 -0.00149 0.00000 0.00000 0.00000 -0.00000 255 20D+2 0.00000 0.00001 0.00000 0.00004 0.00000 256 20D-2 0.00000 0.00000 0.00001 -0.00000 -0.00000 257 10 H 1S 0.00018 -0.00051 0.00000 -0.00110 0.00000 258 2S 0.00030 -0.00076 0.00000 -0.00027 -0.00000 259 3S 0.00130 -0.00036 0.00000 -0.00308 0.00000 260 4PX -0.00000 0.00000 0.00004 0.00000 -0.00062 261 4PY 0.00011 0.00007 -0.00000 0.00002 -0.00000 262 4PZ -0.00005 0.00002 -0.00000 -0.00016 0.00000 263 11 H 1S -0.00064 0.00000 0.00000 0.00031 0.00000 264 2S -0.00098 -0.00001 0.00000 -0.00035 0.00000 265 3S -0.00080 -0.00006 0.00000 -0.00281 0.00000 266 4PX 0.00000 -0.00000 0.00004 -0.00000 0.00010 267 4PY 0.00004 0.00000 -0.00000 -0.00004 0.00000 268 4PZ 0.00000 0.00002 -0.00000 0.00026 -0.00000 269 12 H 1S -0.00000 0.00018 0.00000 0.00050 -0.00000 270 2S 0.00000 0.00030 -0.00000 0.00224 -0.00000 271 3S 0.00000 0.00025 -0.00000 0.00129 -0.00000 272 4PX 0.00000 -0.00000 0.00000 -0.00000 0.00045 273 4PY 0.00002 -0.00000 -0.00000 0.00000 0.00000 274 4PZ 0.00000 0.00001 -0.00000 0.00014 -0.00000 275 13 H 1S 0.00064 0.00000 -0.00000 0.00031 -0.00000 276 2S 0.00098 -0.00001 -0.00000 -0.00035 0.00000 277 3S 0.00080 -0.00006 0.00000 -0.00281 0.00000 278 4PX 0.00000 -0.00000 -0.00004 -0.00000 0.00010 279 4PY 0.00004 -0.00000 -0.00000 0.00004 0.00000 280 4PZ -0.00000 0.00002 -0.00000 0.00026 -0.00000 201 202 203 204 205 201 14D-1 0.00508 202 14D+2 -0.00000 0.00009 203 14D-2 -0.00000 -0.00000 0.00007 204 9 Br 1S -0.00000 -0.00002 -0.00000 0.34319 205 2S -0.00000 -0.00007 0.00000 0.64167 1.25312 206 3S -0.00000 0.00022 0.00000 -0.20321 -0.61610 207 4S -0.00000 0.00025 0.00000 -0.18290 -0.54758 208 5S 0.00000 -0.00045 -0.00000 0.06811 0.22045 209 6S -0.00000 -0.00046 0.00000 0.08140 0.26098 210 7S 0.00000 0.00007 -0.00000 -0.02341 -0.07586 211 8S -0.00000 -0.00058 -0.00000 -0.01536 -0.04957 212 9S 0.00000 0.00080 -0.00000 -0.00134 -0.00431 213 9PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 214 9PY 0.00252 -0.00000 -0.00000 0.00000 0.00000 215 9PZ -0.00000 -0.00029 0.00000 0.00014 0.00043 216 10PX 0.00000 -0.00000 0.00000 0.00000 0.00000 217 10PY 0.00120 -0.00000 -0.00000 -0.00000 -0.00000 218 10PZ -0.00000 -0.00001 0.00000 -0.00003 -0.00011 219 11PX 0.00000 -0.00000 0.00000 0.00000 0.00000 220 11PY 0.00995 -0.00000 -0.00000 -0.00000 -0.00000 221 11PZ -0.00000 -0.00008 0.00000 -0.00025 -0.00081 222 12PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 223 12PY -0.02692 0.00000 0.00000 0.00000 0.00000 224 12PZ 0.00000 0.00026 -0.00000 0.00067 0.00215 225 13PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 226 13PY -0.00973 0.00000 0.00000 0.00000 0.00000 227 13PZ 0.00000 0.00011 -0.00000 0.00023 0.00075 228 14PX 0.00000 -0.00000 0.00000 0.00000 0.00000 229 14PY 0.02166 -0.00000 -0.00000 -0.00000 -0.00000 230 14PZ -0.00000 -0.00023 0.00000 -0.00063 -0.00204 231 15PX 0.00000 -0.00000 0.00000 0.00000 0.00000 232 15PY 0.05038 -0.00000 -0.00000 -0.00000 -0.00000 233 15PZ -0.00000 -0.00038 0.00000 -0.00114 -0.00368 234 16PX 0.00000 -0.00000 0.00000 0.00000 0.00000 235 16PY 0.03247 -0.00000 -0.00000 -0.00000 -0.00000 236 16PZ -0.00000 0.00011 0.00000 -0.00008 -0.00028 237 17D 0 -0.00000 0.00003 0.00000 0.00008 0.00027 238 17D+1 0.00000 -0.00000 0.00000 -0.00000 -0.00000 239 17D-1 0.02969 -0.00000 -0.00000 0.00000 0.00000 240 17D+2 -0.00000 -0.00541 -0.00000 -0.00000 -0.00000 241 17D-2 -0.00000 -0.00000 -0.00327 -0.00000 -0.00000 242 18D 0 -0.00000 -0.00000 0.00000 0.00007 0.00025 243 18D+1 0.00000 -0.00000 0.00000 -0.00000 -0.00000 244 18D-1 0.01034 -0.00000 -0.00000 0.00000 0.00000 245 18D+2 -0.00000 -0.00187 -0.00000 0.00000 0.00000 246 18D-2 -0.00000 -0.00000 -0.00113 -0.00000 -0.00000 247 19D 0 0.00000 0.00006 -0.00000 -0.00012 -0.00038 248 19D+1 0.00000 -0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00104 -0.00000 -0.00000 -0.00000 -0.00000 250 19D+2 -0.00000 -0.00030 -0.00000 -0.00000 -0.00000 251 19D-2 -0.00000 -0.00000 -0.00018 0.00000 0.00000 252 20D 0 0.00000 0.00002 -0.00000 -0.00042 -0.00134 253 20D+1 -0.00000 0.00000 -0.00000 0.00000 0.00000 254 20D-1 -0.00190 0.00000 0.00000 -0.00000 -0.00000 255 20D+2 0.00000 -0.00012 -0.00000 0.00001 0.00002 256 20D-2 0.00000 -0.00000 -0.00007 0.00000 0.00000 257 10 H 1S -0.00252 -0.00109 0.00000 -0.00003 -0.00009 258 2S -0.00412 -0.00150 0.00000 0.00002 0.00006 259 3S -0.00137 -0.00099 0.00000 -0.00005 -0.00017 260 4PX -0.00000 0.00000 0.00013 0.00000 0.00000 261 4PY 0.00022 0.00011 -0.00000 -0.00000 -0.00001 262 4PZ 0.00019 0.00003 -0.00000 -0.00001 -0.00002 263 11 H 1S 0.00008 -0.00021 -0.00000 -0.00002 -0.00007 264 2S 0.00038 -0.00044 -0.00000 -0.00004 -0.00014 265 3S 0.00048 -0.00032 0.00000 0.00005 0.00015 266 4PX -0.00000 -0.00000 0.00013 -0.00000 -0.00000 267 4PY -0.00002 0.00004 0.00000 0.00001 0.00002 268 4PZ 0.00008 0.00002 -0.00000 0.00000 0.00001 269 12 H 1S 0.00000 0.00031 -0.00000 0.00001 0.00004 270 2S 0.00000 0.00062 -0.00000 0.00003 0.00010 271 3S 0.00000 0.00045 -0.00000 0.00001 0.00003 272 4PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 273 4PY -0.00004 0.00000 0.00000 0.00000 0.00000 274 4PZ 0.00000 0.00003 -0.00000 0.00001 0.00002 275 13 H 1S -0.00008 -0.00021 -0.00000 -0.00002 -0.00007 276 2S -0.00038 -0.00044 0.00000 -0.00004 -0.00014 277 3S -0.00048 -0.00032 0.00000 0.00005 0.00015 278 4PX 0.00000 -0.00000 -0.00013 -0.00000 -0.00000 279 4PY -0.00002 -0.00004 -0.00000 -0.00001 -0.00002 280 4PZ -0.00008 0.00002 0.00000 0.00000 0.00001 206 207 208 209 210 206 3S 1.18775 207 4S 1.06167 0.97449 208 5S -0.59722 -0.67807 1.12142 209 6S -0.66953 -0.73901 1.13660 1.17559 210 7S 0.20421 0.25480 -0.51186 -0.65580 1.31172 211 8S 0.13459 0.16512 -0.32139 -0.38986 0.65927 212 9S 0.01214 0.01477 -0.02852 -0.03253 0.03833 213 9PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 214 9PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 215 9PZ -0.00126 -0.00150 0.00282 0.00312 -0.00153 216 10PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 217 10PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 218 10PZ 0.00027 0.00036 -0.00074 -0.00074 0.00179 219 11PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 220 11PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 221 11PZ 0.00217 0.00288 -0.00607 -0.00614 0.01485 222 12PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 223 12PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 224 12PZ -0.00578 -0.00739 0.01536 0.01692 -0.04067 225 13PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 226 13PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 227 13PZ -0.00208 -0.00274 0.00599 0.00685 -0.01662 228 14PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 229 14PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 230 14PZ 0.00555 0.00712 -0.01469 -0.01782 0.03970 231 15PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 232 15PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 233 15PZ 0.00990 0.01264 -0.02571 -0.03067 0.07148 234 16PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 235 16PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 236 16PZ 0.00029 0.00082 -0.00303 -0.00764 0.04718 237 17D 0 -0.00091 -0.00008 -0.00086 0.00692 -0.01879 238 17D+1 0.00000 0.00000 0.00000 -0.00000 0.00000 239 17D-1 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 240 17D+2 0.00001 -0.00001 0.00005 -0.00014 0.00049 241 17D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 242 18D 0 -0.00066 -0.00041 0.00029 0.00336 -0.00928 243 18D+1 0.00000 0.00000 -0.00000 -0.00000 0.00000 244 18D-1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 245 18D+2 0.00000 -0.00001 0.00003 -0.00004 0.00017 246 18D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 247 19D 0 0.00093 0.00118 -0.00230 -0.00294 0.00705 248 19D+1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 249 19D-1 0.00000 0.00000 -0.00000 -0.00000 0.00000 250 19D+2 0.00000 0.00000 -0.00000 -0.00001 -0.00001 251 19D-2 -0.00000 -0.00000 0.00000 0.00000 -0.00000 252 20D 0 0.00374 0.00458 -0.00886 -0.00988 0.01146 253 20D+1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 254 20D-1 0.00000 0.00000 -0.00000 -0.00000 0.00000 255 20D+2 -0.00005 -0.00006 0.00011 0.00013 -0.00015 256 20D-2 -0.00000 -0.00000 0.00000 0.00000 -0.00000 257 10 H 1S 0.00025 0.00034 -0.00070 -0.00067 0.00084 258 2S -0.00013 -0.00014 0.00021 0.00056 -0.00206 259 3S 0.00037 0.00051 -0.00107 -0.00152 0.00483 260 4PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 261 4PY 0.00003 0.00004 -0.00007 -0.00011 0.00030 262 4PZ 0.00006 0.00007 -0.00014 -0.00021 0.00057 263 11 H 1S 0.00019 0.00023 -0.00046 -0.00061 0.00132 264 2S 0.00034 0.00044 -0.00090 -0.00130 0.00378 265 3S -0.00037 -0.00042 0.00075 0.00124 -0.00309 266 4PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 267 4PY -0.00004 -0.00005 0.00010 0.00015 -0.00046 268 4PZ -0.00003 -0.00004 0.00008 0.00007 0.00001 269 12 H 1S -0.00012 -0.00015 0.00029 0.00036 -0.00075 270 2S -0.00026 -0.00035 0.00072 0.00080 -0.00151 271 3S -0.00009 -0.00011 0.00024 0.00024 -0.00038 272 4PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 273 4PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 274 4PZ -0.00005 -0.00007 0.00014 0.00014 -0.00012 275 13 H 1S 0.00019 0.00023 -0.00046 -0.00061 0.00132 276 2S 0.00034 0.00044 -0.00090 -0.00130 0.00378 277 3S -0.00037 -0.00042 0.00075 0.00124 -0.00309 278 4PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 279 4PY 0.00004 0.00005 -0.00010 -0.00015 0.00046 280 4PZ -0.00003 -0.00004 0.00008 0.00007 0.00001 211 212 213 214 215 211 8S 0.34820 212 9S 0.00935 0.04598 213 9PX -0.00000 0.00000 0.00110 214 9PY 0.00000 -0.00000 0.00000 0.00143 215 9PZ 0.00351 -0.01556 -0.00000 0.00000 0.00552 216 10PX -0.00000 0.00000 0.00050 0.00000 -0.00000 217 10PY 0.00000 -0.00000 0.00000 0.00060 0.00000 218 10PZ 0.00191 -0.00227 -0.00000 0.00000 0.00084 219 11PX -0.00000 0.00000 0.00423 0.00000 -0.00000 220 11PY 0.00000 -0.00000 0.00000 0.00508 0.00000 221 11PZ 0.01550 -0.01838 -0.00000 0.00000 0.00695 222 12PX 0.00000 -0.00000 -0.01333 -0.00000 0.00000 223 12PY -0.00000 0.00000 -0.00000 -0.01563 -0.00000 224 12PZ -0.03518 0.04168 0.00000 -0.00000 -0.01817 225 13PX 0.00000 -0.00000 -0.00480 -0.00000 0.00000 226 13PY -0.00000 0.00000 -0.00000 -0.00563 -0.00000 227 13PZ -0.01413 0.01568 0.00000 -0.00000 -0.00675 228 14PX -0.00000 0.00000 0.01060 0.00000 -0.00000 229 14PY 0.00000 -0.00000 0.00000 0.01245 0.00000 230 14PZ 0.03315 -0.03495 -0.00000 0.00000 0.01489 231 15PX -0.00000 0.00000 0.02458 0.00000 -0.00000 232 15PY 0.00000 -0.00000 0.00000 0.02887 0.00000 233 15PZ 0.06483 -0.07900 -0.00000 0.00000 0.03382 234 16PX -0.00000 0.00000 0.01615 0.00000 -0.00000 235 16PY 0.00000 -0.00000 0.00000 0.01885 0.00000 236 16PZ 0.03320 -0.04403 -0.00000 0.00000 0.01864 237 17D 0 0.03427 0.07026 0.00000 -0.00000 -0.01533 238 17D+1 -0.00000 -0.00000 -0.00050 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00204 -0.00000 240 17D+2 -0.00231 0.00643 0.00000 -0.00000 -0.00230 241 17D-2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 242 18D 0 0.01093 0.02383 0.00000 -0.00000 -0.00511 243 18D+1 -0.00000 -0.00000 -0.00018 0.00000 0.00000 244 18D-1 0.00000 0.00000 0.00000 0.00071 -0.00000 245 18D+2 -0.00079 0.00221 0.00000 -0.00000 -0.00079 246 18D-2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 247 19D 0 0.00434 0.00679 0.00000 -0.00000 -0.00198 248 19D+1 -0.00000 -0.00000 -0.00028 -0.00000 0.00000 249 19D-1 0.00000 0.00000 -0.00000 -0.00020 -0.00000 250 19D+2 -0.00016 0.00038 0.00000 0.00000 -0.00014 251 19D-2 -0.00000 -0.00000 -0.00000 0.00000 0.00000 252 20D 0 0.00591 0.00704 0.00000 -0.00000 -0.00239 253 20D+1 -0.00000 -0.00000 -0.00137 -0.00000 0.00000 254 20D-1 0.00000 0.00000 -0.00000 -0.00152 -0.00000 255 20D+2 -0.00010 0.00006 0.00000 0.00000 -0.00002 256 20D-2 -0.00000 -0.00000 -0.00000 0.00000 0.00000 257 10 H 1S 0.00376 -0.00165 -0.00000 -0.00038 0.00092 258 2S 0.00203 -0.00197 -0.00000 -0.00074 0.00112 259 3S 0.00823 -0.00449 -0.00000 -0.00029 0.00158 260 4PX -0.00000 -0.00000 -0.00013 -0.00000 0.00000 261 4PY 0.00000 -0.00063 -0.00000 -0.00001 0.00016 262 4PZ 0.00035 0.00029 0.00000 0.00003 -0.00013 263 11 H 1S 0.00087 0.00025 0.00000 0.00005 -0.00030 264 2S 0.00353 -0.00179 -0.00000 0.00017 0.00028 265 3S 0.00155 -0.00197 -0.00000 0.00018 0.00064 266 4PX 0.00000 0.00000 -0.00007 -0.00000 0.00000 267 4PY -0.00031 0.00010 -0.00000 -0.00001 -0.00001 268 4PZ -0.00026 -0.00004 0.00000 0.00005 0.00000 269 12 H 1S -0.00093 -0.00587 -0.00000 0.00000 0.00185 270 2S -0.00344 -0.00801 -0.00000 0.00000 0.00246 271 3S -0.00154 -0.00392 -0.00000 0.00000 0.00124 272 4PX 0.00000 0.00000 -0.00003 -0.00000 -0.00000 273 4PY -0.00000 -0.00000 -0.00000 -0.00002 0.00000 274 4PZ -0.00026 -0.00066 -0.00000 0.00000 0.00020 275 13 H 1S 0.00087 0.00025 0.00000 -0.00005 -0.00030 276 2S 0.00353 -0.00179 -0.00000 -0.00017 0.00028 277 3S 0.00155 -0.00197 -0.00000 -0.00018 0.00064 278 4PX 0.00000 -0.00000 -0.00007 -0.00000 0.00000 279 4PY 0.00031 -0.00010 -0.00000 -0.00001 0.00001 280 4PZ -0.00026 -0.00004 0.00000 -0.00005 0.00000 216 217 218 219 220 216 10PX 0.03800 217 10PY 0.00000 0.03800 218 10PZ -0.00000 0.00000 0.03796 219 11PX 0.28160 0.00000 -0.00000 2.08991 220 11PY 0.00000 0.28159 0.00000 0.00000 2.08987 221 11PZ -0.00000 0.00000 0.28130 -0.00000 0.00000 222 12PX -0.09189 -0.00000 0.00000 -0.74973 -0.00000 223 12PY -0.00000 -0.09187 -0.00000 -0.00000 -0.74962 224 12PZ 0.00000 -0.00000 -0.09110 0.00000 -0.00000 225 13PX -0.03251 -0.00000 0.00000 -0.26007 -0.00000 226 13PY -0.00000 -0.03251 -0.00000 -0.00000 -0.26004 227 13PZ 0.00000 -0.00000 -0.03233 0.00000 -0.00000 228 14PX 0.00531 0.00000 -0.00000 0.04218 0.00000 229 14PY 0.00000 0.00530 0.00000 0.00000 0.04209 230 14PZ -0.00000 0.00000 0.00472 -0.00000 0.00000 231 15PX 0.01391 0.00000 -0.00000 0.11555 0.00000 232 15PY 0.00000 0.01389 0.00000 0.00000 0.11539 233 15PZ -0.00000 0.00000 0.01245 -0.00000 0.00000 234 16PX 0.01009 0.00000 -0.00000 0.08293 0.00000 235 16PY 0.00000 0.00998 -0.00000 0.00000 0.08199 236 16PZ -0.00000 -0.00000 0.00799 -0.00000 -0.00000 237 17D 0 -0.00000 0.00000 0.00028 -0.00000 0.00000 238 17D+1 0.00017 0.00000 -0.00000 0.00142 0.00000 239 17D-1 0.00000 0.00017 0.00000 0.00000 0.00142 240 17D+2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 241 17D-2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 242 18D 0 -0.00000 0.00000 0.00020 -0.00000 0.00000 243 18D+1 0.00008 0.00000 -0.00000 0.00065 0.00000 244 18D-1 0.00000 0.00008 0.00000 0.00000 0.00070 245 18D+2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 246 18D-2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 247 19D 0 0.00000 -0.00000 -0.00037 0.00000 -0.00000 248 19D+1 -0.00014 -0.00000 0.00000 -0.00116 -0.00000 249 19D-1 -0.00000 -0.00015 -0.00000 -0.00000 -0.00127 250 19D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 251 19D-2 -0.00000 0.00000 0.00000 -0.00000 0.00000 252 20D 0 0.00000 0.00000 -0.00073 0.00000 0.00000 253 20D+1 -0.00086 -0.00000 0.00000 -0.00704 -0.00000 254 20D-1 -0.00000 -0.00082 -0.00000 -0.00000 -0.00671 255 20D+2 0.00000 0.00000 0.00000 0.00000 0.00000 256 20D-2 -0.00000 0.00000 0.00000 -0.00000 0.00000 257 10 H 1S 0.00000 -0.00002 -0.00007 0.00000 -0.00020 258 2S -0.00000 -0.00010 -0.00002 -0.00000 -0.00082 259 3S 0.00000 0.00020 -0.00046 0.00000 0.00164 260 4PX -0.00000 -0.00000 0.00000 -0.00001 -0.00000 261 4PY 0.00000 0.00000 -0.00001 0.00000 0.00002 262 4PZ 0.00000 0.00002 -0.00003 0.00000 0.00017 263 11 H 1S 0.00000 -0.00000 -0.00007 0.00000 -0.00001 264 2S 0.00000 0.00003 -0.00017 0.00000 0.00028 265 3S -0.00000 0.00004 0.00012 -0.00000 0.00034 266 4PX -0.00000 -0.00000 0.00000 -0.00001 -0.00000 267 4PY -0.00000 -0.00001 0.00002 -0.00000 -0.00005 268 4PZ -0.00000 0.00000 0.00001 -0.00000 0.00002 269 12 H 1S -0.00000 0.00000 0.00002 -0.00000 0.00000 270 2S -0.00000 0.00000 0.00004 -0.00000 0.00000 271 3S 0.00000 -0.00000 -0.00001 0.00000 -0.00000 272 4PX 0.00001 0.00000 -0.00000 0.00006 0.00000 273 4PY 0.00000 0.00001 -0.00000 0.00000 0.00006 274 4PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 275 13 H 1S 0.00000 0.00000 -0.00007 0.00000 0.00001 276 2S 0.00000 -0.00003 -0.00017 0.00000 -0.00028 277 3S -0.00000 -0.00004 0.00012 -0.00000 -0.00034 278 4PX -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 279 4PY 0.00000 -0.00001 -0.00002 0.00000 -0.00005 280 4PZ -0.00000 -0.00000 0.00001 -0.00000 -0.00002 221 222 223 224 225 221 11PZ 2.08747 222 12PX 0.00000 1.71737 223 12PY -0.00000 0.00000 1.71709 224 12PZ -0.74325 -0.00000 0.00000 1.70050 225 13PX 0.00000 0.49565 0.00000 -0.00000 0.14522 226 13PY -0.00000 0.00000 0.49554 0.00000 0.00000 227 13PZ -0.25857 -0.00000 0.00000 0.49030 -0.00000 228 14PX -0.00000 -0.08066 -0.00000 0.00000 -0.03442 229 14PY 0.00000 -0.00000 -0.08037 -0.00000 -0.00000 230 14PZ 0.03726 0.00000 -0.00000 -0.06577 0.00000 231 15PX -0.00000 -0.31737 -0.00000 0.00000 -0.11526 232 15PY 0.00000 -0.00000 -0.31705 -0.00000 -0.00000 233 15PZ 0.10352 0.00000 -0.00000 -0.28723 0.00000 234 16PX -0.00000 -0.21022 -0.00000 0.00000 -0.07650 235 16PY -0.00000 -0.00000 -0.20762 0.00000 -0.00000 236 16PZ 0.06567 0.00000 0.00000 -0.16671 0.00000 237 17D 0 0.00231 0.00000 -0.00000 -0.00617 0.00000 238 17D+1 -0.00000 -0.00381 -0.00000 0.00000 -0.00065 239 17D-1 0.00000 -0.00000 -0.00383 -0.00000 -0.00000 240 17D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 241 17D-2 -0.00000 -0.00000 0.00000 0.00000 -0.00000 242 18D 0 0.00164 0.00000 -0.00000 -0.00401 0.00000 243 18D+1 -0.00000 -0.00164 -0.00000 0.00000 -0.00030 244 18D-1 0.00000 -0.00000 -0.00180 -0.00000 -0.00000 245 18D+2 0.00000 0.00000 0.00000 -0.00001 0.00000 246 18D-2 -0.00000 -0.00000 0.00000 0.00000 -0.00000 247 19D 0 -0.00305 -0.00000 0.00000 0.00772 -0.00000 248 19D+1 0.00000 0.00316 0.00000 -0.00000 0.00116 249 19D-1 -0.00000 0.00000 0.00344 0.00000 0.00000 250 19D+2 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 251 19D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 252 20D 0 -0.00607 -0.00000 -0.00000 0.01674 -0.00000 253 20D+1 0.00000 0.01804 0.00000 -0.00000 0.00659 254 20D-1 -0.00000 0.00000 0.01717 0.00000 0.00000 255 20D+2 0.00003 -0.00000 -0.00000 -0.00008 -0.00000 256 20D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 257 10 H 1S -0.00058 -0.00000 0.00053 0.00159 -0.00000 258 2S -0.00022 0.00000 0.00200 0.00137 0.00000 259 3S -0.00369 -0.00000 -0.00365 0.00823 -0.00000 260 4PX 0.00000 0.00003 0.00000 -0.00000 0.00001 261 4PY -0.00004 0.00000 -0.00002 0.00000 -0.00000 262 4PZ -0.00020 -0.00000 -0.00041 0.00039 -0.00000 263 11 H 1S -0.00054 -0.00000 0.00004 0.00140 -0.00000 264 2S -0.00137 -0.00000 -0.00073 0.00315 -0.00000 265 3S 0.00092 0.00000 -0.00089 -0.00171 0.00000 266 4PX 0.00000 0.00001 0.00000 -0.00000 0.00000 267 4PY 0.00013 0.00000 0.00012 -0.00028 0.00000 268 4PZ 0.00005 0.00000 -0.00005 -0.00015 0.00000 269 12 H 1S 0.00018 0.00000 -0.00000 -0.00048 0.00000 270 2S 0.00036 0.00000 -0.00000 -0.00106 0.00000 271 3S -0.00005 0.00000 -0.00000 -0.00035 0.00000 272 4PX -0.00000 -0.00015 -0.00000 0.00000 -0.00006 273 4PY -0.00000 -0.00000 -0.00014 -0.00000 -0.00000 274 4PZ 0.00004 0.00000 -0.00000 -0.00015 0.00000 275 13 H 1S -0.00054 -0.00000 -0.00004 0.00140 -0.00000 276 2S -0.00137 -0.00000 0.00073 0.00315 -0.00000 277 3S 0.00092 0.00000 0.00089 -0.00171 0.00000 278 4PX -0.00000 0.00001 0.00000 0.00000 0.00000 279 4PY -0.00013 -0.00000 0.00012 0.00028 -0.00000 280 4PZ 0.00005 0.00000 0.00005 -0.00015 0.00000 226 227 228 229 230 226 13PY 0.14517 227 13PZ 0.00000 0.14352 228 14PX -0.00000 0.00000 0.11456 229 14PY -0.03430 -0.00000 0.00000 0.11427 230 14PZ -0.00000 -0.02931 -0.00000 0.00000 0.10174 231 15PX -0.00000 0.00000 0.25952 0.00000 -0.00000 232 15PY -0.11511 -0.00000 0.00000 0.25913 0.00000 233 15PZ -0.00000 -0.10473 -0.00000 0.00000 0.23178 234 16PX -0.00000 0.00000 0.17180 0.00000 -0.00000 235 16PY -0.07554 0.00000 0.00000 0.16963 -0.00000 236 16PZ 0.00000 -0.06079 -0.00000 -0.00000 0.13418 237 17D 0 -0.00000 -0.00155 -0.00000 0.00000 0.00275 238 17D+1 -0.00000 0.00000 0.00096 0.00000 -0.00000 239 17D-1 -0.00055 -0.00000 0.00000 0.00072 0.00000 240 17D+2 0.00000 0.00005 -0.00000 -0.00000 -0.00011 241 17D-2 0.00000 0.00000 0.00000 -0.00000 -0.00000 242 18D 0 -0.00000 -0.00119 -0.00000 0.00000 0.00209 243 18D+1 -0.00000 0.00000 0.00020 0.00000 -0.00000 244 18D-1 -0.00032 -0.00000 0.00000 0.00024 0.00000 245 18D+2 0.00000 0.00001 -0.00000 -0.00000 -0.00003 246 18D-2 0.00000 0.00000 0.00000 -0.00000 -0.00000 247 19D 0 0.00000 0.00286 0.00000 -0.00000 -0.00624 248 19D+1 0.00000 -0.00000 -0.00247 -0.00000 0.00000 249 19D-1 0.00127 0.00000 -0.00000 -0.00270 -0.00000 250 19D+2 -0.00000 0.00001 0.00000 0.00000 -0.00002 251 19D-2 -0.00000 -0.00000 -0.00000 0.00000 0.00000 252 20D 0 -0.00000 0.00608 0.00000 0.00000 -0.01335 253 20D+1 0.00000 -0.00000 -0.01484 -0.00000 0.00000 254 20D-1 0.00627 0.00000 -0.00000 -0.01415 -0.00000 255 20D+2 -0.00000 -0.00003 0.00000 0.00000 0.00006 256 20D-2 -0.00000 -0.00000 -0.00000 0.00000 0.00000 257 10 H 1S 0.00019 0.00049 0.00000 -0.00042 -0.00114 258 2S 0.00072 0.00041 -0.00000 -0.00161 -0.00089 259 3S -0.00136 0.00283 0.00000 0.00307 -0.00647 260 4PX 0.00000 -0.00000 -0.00002 -0.00000 0.00000 261 4PY -0.00001 0.00000 0.00000 0.00002 -0.00001 262 4PZ -0.00015 0.00015 0.00000 0.00034 -0.00034 263 11 H 1S 0.00002 0.00053 0.00000 -0.00005 -0.00120 264 2S -0.00025 0.00113 0.00000 0.00056 -0.00263 265 3S -0.00031 -0.00070 -0.00000 0.00068 0.00152 266 4PX 0.00000 -0.00000 -0.00001 -0.00000 0.00000 267 4PY 0.00004 -0.00010 -0.00000 -0.00009 0.00024 268 4PZ -0.00002 -0.00005 -0.00000 0.00004 0.00011 269 12 H 1S -0.00000 -0.00019 -0.00000 0.00000 0.00044 270 2S -0.00000 -0.00036 -0.00000 0.00000 0.00086 271 3S -0.00000 -0.00011 -0.00000 0.00000 0.00026 272 4PX -0.00000 0.00000 0.00013 0.00000 -0.00000 273 4PY -0.00005 -0.00000 0.00000 0.00012 0.00000 274 4PZ -0.00000 -0.00005 -0.00000 0.00000 0.00011 275 13 H 1S -0.00002 0.00053 0.00000 0.00005 -0.00120 276 2S 0.00025 0.00113 0.00000 -0.00056 -0.00263 277 3S 0.00031 -0.00070 -0.00000 -0.00068 0.00152 278 4PX 0.00000 0.00000 -0.00001 -0.00000 -0.00000 279 4PY 0.00004 0.00010 0.00000 -0.00009 -0.00024 280 4PZ 0.00002 -0.00005 -0.00000 -0.00004 0.00011 231 232 233 234 235 231 15PX 0.59976 232 15PY 0.00000 0.59948 233 15PZ -0.00000 0.00000 0.54136 234 16PX 0.39674 0.00000 -0.00000 0.26283 235 16PY 0.00000 0.39213 -0.00000 0.00000 0.25685 236 16PZ -0.00000 -0.00000 0.31393 -0.00000 -0.00000 237 17D 0 -0.00000 -0.00000 0.01918 0.00000 -0.00000 238 17D+1 0.01211 0.00000 -0.00000 -0.00731 -0.00000 239 17D-1 0.00000 0.01279 0.00000 -0.00000 -0.01169 240 17D+2 -0.00000 -0.00000 0.00016 0.00000 0.00000 241 17D-2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 242 18D 0 -0.00000 0.00000 0.00937 0.00000 -0.00000 243 18D+1 0.00394 0.00000 -0.00000 -0.00273 -0.00000 244 18D-1 0.00000 0.00446 0.00000 -0.00000 -0.00407 245 18D+2 -0.00000 -0.00000 0.00007 0.00000 0.00000 246 18D-2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 247 19D 0 0.00000 -0.00000 -0.01391 0.00000 -0.00000 248 19D+1 -0.00520 -0.00000 0.00000 -0.00424 -0.00000 249 19D-1 -0.00000 -0.00569 -0.00000 -0.00000 -0.00478 250 19D+2 0.00000 0.00000 -0.00001 0.00000 0.00000 251 19D-2 -0.00000 0.00000 0.00000 -0.00000 0.00000 252 20D 0 0.00000 0.00000 -0.03111 0.00000 0.00000 253 20D+1 -0.03399 -0.00000 0.00000 -0.02299 -0.00000 254 20D-1 -0.00000 -0.03240 -0.00000 -0.00000 -0.02176 255 20D+2 0.00000 0.00000 0.00015 0.00000 0.00000 256 20D-2 -0.00000 0.00000 0.00000 -0.00000 0.00000 257 10 H 1S 0.00000 -0.00103 -0.00341 0.00000 -0.00016 258 2S 0.00000 -0.00384 -0.00269 0.00000 -0.00168 259 3S 0.00000 0.00697 -0.01679 0.00000 0.00500 260 4PX -0.00009 -0.00000 0.00000 0.00015 -0.00000 261 4PY 0.00000 0.00005 -0.00003 -0.00000 -0.00001 262 4PZ 0.00000 0.00079 -0.00081 0.00000 0.00048 263 11 H 1S 0.00000 -0.00006 -0.00279 0.00000 -0.00011 264 2S 0.00000 0.00140 -0.00652 0.00000 0.00077 265 3S -0.00000 0.00166 0.00304 0.00000 0.00093 266 4PX -0.00003 -0.00000 0.00000 -0.00000 -0.00000 267 4PY -0.00000 -0.00022 0.00059 -0.00000 -0.00014 268 4PZ -0.00000 0.00010 0.00031 -0.00000 0.00005 269 12 H 1S -0.00000 0.00000 0.00095 -0.00000 0.00000 270 2S -0.00000 0.00000 0.00230 -0.00000 0.00000 271 3S -0.00000 0.00000 0.00072 -0.00000 0.00000 272 4PX 0.00030 0.00000 -0.00000 0.00012 0.00000 273 4PY 0.00000 0.00027 0.00000 0.00000 0.00018 274 4PZ -0.00000 0.00000 0.00029 -0.00000 0.00000 275 13 H 1S 0.00000 0.00006 -0.00279 0.00000 0.00011 276 2S 0.00000 -0.00140 -0.00652 0.00000 -0.00077 277 3S -0.00000 -0.00166 0.00304 -0.00000 -0.00093 278 4PX -0.00003 -0.00000 -0.00000 -0.00000 -0.00000 279 4PY 0.00000 -0.00022 -0.00059 0.00000 -0.00014 280 4PZ -0.00000 -0.00010 0.00031 -0.00000 -0.00005 236 237 238 239 240 236 16PZ 0.18641 237 17D 0 -0.03364 1.31247 238 17D+1 0.00000 -0.00000 1.31305 239 17D-1 -0.00000 0.00000 0.00000 1.31291 240 17D+2 0.00089 -0.00001 -0.00000 -0.00000 1.31436 241 17D-2 0.00000 -0.00000 0.00000 -0.00000 0.00000 242 18D 0 -0.01030 0.45807 -0.00000 0.00000 0.00000 243 18D+1 0.00000 -0.00000 0.45664 0.00000 -0.00000 244 18D-1 -0.00000 0.00000 0.00000 0.45709 -0.00000 245 18D+2 0.00032 0.00000 -0.00000 -0.00000 0.45499 246 18D-2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 247 19D 0 -0.01000 0.06778 -0.00000 0.00000 -0.00000 248 19D+1 0.00000 -0.00000 0.07032 0.00000 -0.00000 249 19D-1 -0.00000 0.00000 0.00000 0.06950 -0.00000 250 19D+2 0.00005 0.00000 -0.00000 -0.00000 0.07281 251 19D-2 0.00000 -0.00000 0.00000 -0.00000 0.00000 252 20D 0 -0.01956 0.04143 -0.00000 0.00000 -0.00005 253 20D+1 0.00000 -0.00000 0.03446 0.00000 -0.00000 254 20D-1 -0.00000 0.00000 0.00000 0.03648 -0.00000 255 20D+2 0.00009 0.00001 -0.00000 -0.00000 0.02824 256 20D-2 0.00000 -0.00000 0.00000 -0.00000 0.00000 257 10 H 1S -0.00416 0.00028 -0.00000 0.00013 -0.00006 258 2S -0.00369 -0.00026 -0.00000 -0.00264 0.00104 259 3S -0.01351 -0.00480 0.00000 0.00269 -0.00205 260 4PX 0.00000 0.00000 0.00001 -0.00000 -0.00000 261 4PY 0.00010 -0.00003 0.00000 0.00013 -0.00011 262 4PZ -0.00051 -0.00009 0.00000 0.00022 0.00000 263 11 H 1S -0.00215 0.00008 0.00000 0.00001 -0.00010 264 2S -0.00534 -0.00033 0.00000 0.00066 0.00050 265 3S 0.00001 0.00232 0.00000 0.00355 -0.00086 266 4PX -0.00000 0.00000 0.00001 0.00000 0.00000 267 4PY 0.00045 0.00009 -0.00000 -0.00009 0.00002 268 4PZ 0.00032 -0.00002 -0.00000 -0.00007 -0.00001 269 12 H 1S 0.00119 -0.00004 0.00000 -0.00000 -0.00004 270 2S 0.00335 -0.00038 -0.00000 0.00000 0.00081 271 3S 0.00144 -0.00030 -0.00000 -0.00000 0.00046 272 4PX -0.00000 0.00000 -0.00002 0.00000 -0.00000 273 4PY 0.00000 -0.00000 0.00000 0.00021 -0.00000 274 4PZ 0.00032 -0.00006 0.00000 -0.00000 0.00004 275 13 H 1S -0.00215 0.00008 0.00000 -0.00001 -0.00010 276 2S -0.00534 -0.00033 -0.00000 -0.00066 0.00050 277 3S 0.00001 0.00232 -0.00000 -0.00355 -0.00086 278 4PX -0.00000 -0.00000 0.00001 -0.00000 -0.00000 279 4PY -0.00045 -0.00009 0.00000 -0.00009 -0.00002 280 4PZ 0.00032 -0.00002 0.00000 0.00007 -0.00001 241 242 243 244 245 241 17D-2 1.31439 242 18D 0 -0.00000 0.15989 243 18D+1 0.00000 -0.00000 0.15881 244 18D-1 -0.00000 0.00000 0.00000 0.15914 245 18D+2 -0.00000 0.00000 -0.00000 -0.00000 0.15751 246 18D-2 0.45491 -0.00000 0.00000 -0.00000 -0.00000 247 19D 0 -0.00000 0.02354 -0.00000 0.00000 -0.00000 248 19D+1 0.00000 -0.00000 0.02446 0.00000 -0.00000 249 19D-1 -0.00000 0.00000 0.00000 0.02420 -0.00000 250 19D+2 0.00000 0.00000 -0.00000 -0.00000 0.02520 251 19D-2 0.07296 -0.00000 0.00000 -0.00000 0.00000 252 20D 0 -0.00000 0.01427 -0.00000 0.00000 -0.00002 253 20D+1 0.00000 -0.00000 0.01201 0.00000 -0.00000 254 20D-1 -0.00000 0.00000 0.00000 0.01270 -0.00000 255 20D+2 0.00000 0.00000 -0.00000 -0.00000 0.00977 256 20D-2 0.02794 -0.00000 0.00000 -0.00000 0.00000 257 10 H 1S -0.00000 0.00016 -0.00000 0.00003 0.00001 258 2S 0.00000 -0.00002 -0.00000 -0.00095 0.00040 259 3S 0.00000 -0.00163 0.00000 0.00094 -0.00069 260 4PX -0.00001 0.00000 -0.00001 -0.00000 -0.00000 261 4PY -0.00000 -0.00001 0.00000 0.00005 -0.00004 262 4PZ -0.00000 -0.00004 0.00000 0.00008 0.00000 263 11 H 1S -0.00000 0.00003 0.00000 -0.00000 -0.00003 264 2S -0.00000 -0.00009 0.00000 0.00022 0.00018 265 3S -0.00000 0.00089 0.00000 0.00123 -0.00029 266 4PX 0.00001 0.00000 0.00000 0.00000 0.00000 267 4PY 0.00000 0.00003 -0.00000 -0.00003 0.00001 268 4PZ 0.00000 -0.00001 -0.00000 -0.00002 -0.00000 269 12 H 1S 0.00000 -0.00002 0.00000 -0.00000 -0.00002 270 2S 0.00000 -0.00017 -0.00000 -0.00000 0.00027 271 3S 0.00000 -0.00013 -0.00000 -0.00000 0.00015 272 4PX -0.00000 0.00000 0.00000 0.00000 -0.00000 273 4PY -0.00000 -0.00000 0.00000 0.00007 -0.00000 274 4PZ 0.00000 -0.00002 -0.00000 -0.00000 0.00001 275 13 H 1S -0.00000 0.00003 0.00000 0.00000 -0.00003 276 2S 0.00000 -0.00009 -0.00000 -0.00022 0.00018 277 3S 0.00000 0.00089 -0.00000 -0.00123 -0.00029 278 4PX -0.00001 -0.00000 0.00000 -0.00000 -0.00000 279 4PY 0.00000 -0.00003 0.00000 -0.00003 -0.00001 280 4PZ -0.00000 -0.00001 0.00000 0.00002 -0.00000 246 247 248 249 250 246 18D-2 0.15744 247 19D 0 -0.00000 0.00404 248 19D+1 0.00000 -0.00000 0.00382 249 19D-1 -0.00000 0.00000 0.00000 0.00375 250 19D+2 0.00000 0.00000 -0.00000 -0.00000 0.00403 251 19D-2 0.02525 -0.00000 0.00000 -0.00000 0.00000 252 20D 0 -0.00000 0.00312 -0.00000 0.00000 -0.00000 253 20D+1 0.00000 -0.00000 0.00217 0.00000 -0.00000 254 20D-1 -0.00000 0.00000 0.00000 0.00228 -0.00000 255 20D+2 -0.00000 -0.00001 -0.00000 -0.00000 0.00156 256 20D-2 0.00967 -0.00000 0.00000 -0.00000 -0.00000 257 10 H 1S -0.00000 -0.00018 0.00000 0.00004 -0.00005 258 2S 0.00000 -0.00027 0.00000 -0.00007 -0.00001 259 3S 0.00000 -0.00030 0.00000 0.00006 -0.00015 260 4PX -0.00001 -0.00000 0.00002 0.00000 -0.00000 261 4PY -0.00000 0.00002 0.00000 0.00000 -0.00000 262 4PZ -0.00000 0.00001 -0.00000 0.00000 0.00000 263 11 H 1S -0.00000 -0.00005 0.00000 0.00001 -0.00001 264 2S -0.00000 -0.00013 0.00000 0.00003 0.00002 265 3S -0.00000 -0.00026 0.00000 0.00018 -0.00005 266 4PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 267 4PY 0.00000 0.00001 -0.00000 -0.00000 0.00000 268 4PZ 0.00000 0.00001 -0.00000 -0.00000 0.00000 269 12 H 1S 0.00000 0.00004 -0.00000 0.00000 0.00001 270 2S 0.00000 0.00016 -0.00000 0.00000 0.00007 271 3S 0.00000 0.00012 -0.00000 0.00000 0.00004 272 4PX 0.00000 0.00000 -0.00001 0.00000 0.00000 273 4PY -0.00000 -0.00000 0.00000 0.00001 -0.00000 274 4PZ 0.00000 0.00001 0.00000 0.00000 0.00000 275 13 H 1S -0.00000 -0.00005 0.00000 -0.00001 -0.00001 276 2S 0.00000 -0.00013 0.00000 -0.00003 0.00002 277 3S 0.00000 -0.00026 0.00000 -0.00018 -0.00005 278 4PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 279 4PY 0.00000 -0.00001 0.00000 -0.00000 -0.00000 280 4PZ -0.00000 0.00001 -0.00000 0.00000 0.00000 251 252 253 254 255 251 19D-2 0.00405 252 20D 0 -0.00000 0.00342 253 20D+1 0.00000 -0.00000 0.00292 254 20D-1 -0.00000 0.00000 0.00000 0.00280 255 20D+2 0.00000 -0.00001 -0.00000 -0.00000 0.00061 256 20D-2 0.00155 -0.00000 0.00000 -0.00000 0.00000 257 10 H 1S 0.00000 0.00024 -0.00000 -0.00012 0.00009 258 2S 0.00000 0.00009 -0.00000 -0.00014 0.00015 259 3S 0.00000 0.00085 -0.00000 -0.00040 0.00001 260 4PX 0.00000 0.00000 -0.00010 -0.00000 0.00000 261 4PY -0.00000 0.00002 -0.00000 0.00003 -0.00001 262 4PZ -0.00000 0.00003 0.00000 -0.00003 -0.00000 263 11 H 1S 0.00000 -0.00008 0.00000 -0.00002 0.00001 264 2S 0.00000 0.00005 -0.00000 -0.00008 0.00003 265 3S 0.00000 -0.00036 0.00000 -0.00001 -0.00001 266 4PX 0.00001 0.00000 0.00002 0.00000 -0.00000 267 4PY 0.00000 -0.00001 0.00000 0.00001 -0.00000 268 4PZ -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 269 12 H 1S -0.00000 0.00010 -0.00000 0.00000 -0.00002 270 2S -0.00000 0.00008 -0.00000 0.00000 -0.00001 271 3S -0.00000 0.00019 -0.00000 0.00000 -0.00002 272 4PX -0.00000 -0.00000 0.00006 0.00000 -0.00000 273 4PY -0.00000 0.00000 0.00000 -0.00001 0.00000 274 4PZ -0.00000 -0.00001 -0.00000 -0.00000 0.00000 275 13 H 1S 0.00000 -0.00008 0.00000 0.00002 0.00001 276 2S 0.00000 0.00005 -0.00000 0.00008 0.00003 277 3S 0.00000 -0.00036 0.00000 0.00001 -0.00001 278 4PX -0.00001 0.00000 0.00002 0.00000 -0.00000 279 4PY 0.00000 0.00001 0.00000 0.00001 0.00000 280 4PZ -0.00000 -0.00001 -0.00000 0.00000 -0.00000 256 257 258 259 260 256 20D-2 0.00059 257 10 H 1S -0.00000 0.08396 258 2S 0.00000 0.12403 0.18442 259 3S -0.00000 0.04650 0.06933 0.04075 260 4PX -0.00001 -0.00000 -0.00000 -0.00000 0.00051 261 4PY -0.00000 -0.01038 -0.01529 -0.00449 0.00000 262 4PZ 0.00000 -0.00517 -0.00760 -0.00201 -0.00000 263 11 H 1S 0.00000 -0.00769 -0.01347 -0.00572 -0.00000 264 2S 0.00000 -0.01268 -0.02201 -0.00821 -0.00000 265 3S 0.00000 -0.00544 -0.00937 -0.00351 -0.00000 266 4PX -0.00001 0.00000 0.00000 0.00000 0.00030 267 4PY -0.00000 0.00068 0.00125 0.00004 0.00000 268 4PZ 0.00000 -0.00124 -0.00208 -0.00177 -0.00000 269 12 H 1S -0.00000 -0.00316 -0.00479 -0.00892 0.00000 270 2S -0.00000 -0.00622 -0.00876 -0.01561 0.00000 271 3S -0.00000 -0.00751 -0.01134 -0.01177 0.00000 272 4PX 0.00000 0.00000 0.00000 0.00000 -0.00008 273 4PY 0.00000 0.00059 0.00099 0.00088 -0.00000 274 4PZ 0.00000 0.00003 0.00011 -0.00062 0.00000 275 13 H 1S 0.00000 0.00143 0.00431 0.00562 0.00000 276 2S -0.00000 0.00478 0.01036 0.01165 0.00000 277 3S 0.00000 0.00555 0.01000 0.01121 0.00000 278 4PX 0.00001 0.00000 0.00000 0.00000 -0.00026 279 4PY -0.00000 0.00035 0.00069 0.00063 -0.00000 280 4PZ -0.00000 0.00013 0.00035 0.00003 0.00000 261 262 263 264 265 261 4PY 0.00147 262 4PZ 0.00064 0.00051 263 11 H 1S 0.00086 0.00105 0.08342 264 2S 0.00143 0.00181 0.12387 0.18478 265 3S 0.00026 0.00135 0.03915 0.06016 0.02783 266 4PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 267 4PY -0.00012 -0.00012 -0.01040 -0.01533 -0.00400 268 4PZ 0.00013 -0.00005 0.00595 0.00872 0.00223 269 12 H 1S 0.00014 -0.00063 -0.00775 -0.01351 -0.00603 270 2S 0.00031 -0.00100 -0.01316 -0.02262 -0.00995 271 3S 0.00069 -0.00059 -0.00589 -0.00973 -0.00527 272 4PX -0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY -0.00004 -0.00001 -0.00067 -0.00112 -0.00109 274 4PZ -0.00002 -0.00006 -0.00121 -0.00212 -0.00087 275 13 H 1S -0.00027 -0.00019 -0.00321 -0.00521 -0.00712 276 2S -0.00059 -0.00039 -0.00521 -0.00806 -0.01081 277 3S -0.00040 -0.00025 -0.00712 -0.01081 -0.00842 278 4PX -0.00000 0.00000 0.00000 0.00000 0.00000 279 4PY -0.00005 -0.00002 0.00038 0.00062 0.00010 280 4PZ -0.00002 -0.00004 -0.00052 -0.00090 -0.00096 266 267 268 269 270 266 4PX 0.00049 267 4PY 0.00000 0.00145 268 4PZ -0.00000 -0.00072 0.00060 269 12 H 1S 0.00000 0.00141 -0.00003 0.08343 270 2S 0.00000 0.00241 -0.00002 0.12394 0.18504 271 3S 0.00000 0.00131 0.00053 0.03891 0.05964 272 4PX 0.00030 0.00000 -0.00000 -0.00000 -0.00000 273 4PY 0.00000 -0.00005 -0.00010 0.00000 0.00000 274 4PZ -0.00000 0.00016 -0.00008 0.01201 0.01770 275 13 H 1S 0.00000 -0.00038 -0.00052 -0.00775 -0.01316 276 2S 0.00000 -0.00062 -0.00090 -0.01351 -0.02262 277 3S 0.00000 -0.00010 -0.00096 -0.00603 -0.00995 278 4PX -0.00007 -0.00000 0.00000 -0.00000 -0.00000 279 4PY -0.00000 -0.00007 -0.00001 -0.00141 -0.00241 280 4PZ 0.00000 0.00001 -0.00004 -0.00003 -0.00002 271 272 273 274 275 271 3S 0.02687 272 4PX -0.00000 0.00049 273 4PY 0.00000 0.00000 0.00018 274 4PZ 0.00456 -0.00000 0.00000 0.00188 275 13 H 1S -0.00589 0.00000 0.00067 -0.00121 0.08342 276 2S -0.00973 0.00000 0.00112 -0.00212 0.12387 277 3S -0.00527 0.00000 0.00109 -0.00087 0.03915 278 4PX -0.00000 0.00030 0.00000 -0.00000 0.00000 279 4PY -0.00131 0.00000 -0.00005 -0.00016 0.01040 280 4PZ 0.00053 -0.00000 0.00010 -0.00008 0.00595 276 277 278 279 280 276 2S 0.18478 277 3S 0.06016 0.02783 278 4PX 0.00000 0.00000 0.00049 279 4PY 0.01533 0.00400 0.00000 0.00145 280 4PZ 0.00872 0.00223 -0.00000 0.00072 0.00060 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 0.65856 2 2S 0.49216 0.48968 3 2PX 0.00000 0.00000 0.06717 4 2PY 0.00000 0.00000 0.00000 0.09074 5 2PZ 0.00000 0.00000 0.00000 -0.00000 0.09231 6 3S -0.02593 -0.05926 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.06500 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07835 -0.00000 9 3PZ 0.00000 0.00000 0.00000 -0.00000 0.08095 10 4S -0.00892 -0.01561 0.00000 0.00000 0.00000 11 4PX 0.00000 0.00000 0.01817 0.00000 0.00000 12 4PY 0.00000 0.00000 0.00000 0.01416 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.01399 14 5S -0.00350 -0.00577 0.00000 0.00000 0.00000 15 5PX 0.00000 0.00000 0.00081 -0.00000 0.00000 16 5PY 0.00000 0.00000 -0.00000 -0.00026 0.00000 17 5PZ 0.00000 0.00000 0.00000 0.00000 0.00006 18 6D 0 -0.00000 -0.00000 0.00000 0.00000 0.00000 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 21 6D+2 -0.00000 -0.00000 0.00000 0.00000 0.00000 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 7D 0 -0.00000 -0.00000 0.00000 0.00000 0.00000 24 7D+1 -0.00000 -0.00000 0.00000 0.00000 0.00000 25 7D-1 -0.00000 0.00000 0.00000 0.00000 0.00000 26 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 27 7D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 28 2 C 1S 0.00000 0.00000 -0.00000 -0.00004 -0.00001 29 2S 0.00000 -0.00000 -0.00000 -0.00003 -0.00001 30 2PX -0.00000 -0.00000 0.00019 0.00000 -0.00000 31 2PY -0.00004 -0.00003 0.00000 0.00152 0.00066 32 2PZ -0.00001 -0.00001 -0.00000 0.00061 0.00011 33 3S -0.00037 -0.00062 0.00000 0.00600 0.00201 34 3PX -0.00000 -0.00000 0.00330 0.00000 -0.00000 35 3PY -0.00134 -0.00234 0.00000 0.01004 0.00510 36 3PZ -0.00043 -0.00077 -0.00000 0.00478 0.00029 37 4S -0.00026 -0.00069 0.00000 0.00225 0.00080 38 4PX -0.00000 -0.00000 0.00454 0.00000 0.00000 39 4PY -0.00147 -0.00244 0.00000 0.00128 0.00144 40 4PZ -0.00009 -0.00045 0.00000 0.00103 -0.00058 41 5S 0.00132 0.00210 0.00000 0.00066 -0.00017 42 5PX 0.00000 0.00000 0.00028 0.00000 -0.00000 43 5PY 0.00043 0.00071 -0.00000 -0.00006 0.00017 44 5PZ 0.00022 0.00033 0.00000 0.00001 0.00002 45 6D 0 -0.00000 -0.00000 0.00000 -0.00000 0.00007 46 6D+1 0.00000 0.00000 0.00002 0.00000 -0.00000 47 6D-1 -0.00002 -0.00002 0.00000 0.00040 0.00003 48 6D+2 -0.00001 -0.00001 0.00000 0.00010 0.00012 49 6D-2 -0.00000 -0.00000 0.00006 0.00000 0.00000 50 7D 0 -0.00004 -0.00004 0.00000 0.00008 0.00081 51 7D+1 0.00000 0.00000 0.00023 0.00000 0.00000 52 7D-1 -0.00062 -0.00079 0.00000 0.00062 0.00004 53 7D+2 -0.00040 -0.00054 0.00000 -0.00011 0.00045 54 7D-2 -0.00000 -0.00000 0.00138 -0.00000 -0.00000 55 3 C 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 56 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 57 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 58 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 59 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 60 3S 0.00000 0.00000 -0.00000 -0.00002 0.00000 61 3PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 62 3PY 0.00000 0.00000 -0.00000 -0.00007 0.00000 63 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 64 4S 0.00000 0.00002 -0.00000 -0.00010 0.00000 65 4PX 0.00000 0.00000 -0.00013 0.00000 -0.00000 66 4PY -0.00005 0.00004 0.00000 -0.00060 0.00000 67 4PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00007 68 5S -0.00160 -0.00240 0.00000 -0.00015 -0.00000 69 5PX -0.00000 -0.00000 -0.00010 -0.00000 0.00000 70 5PY -0.00022 -0.00028 -0.00000 -0.00011 -0.00000 71 5PZ -0.00000 0.00000 0.00000 -0.00000 0.00031 72 6D 0 -0.00000 0.00000 -0.00000 0.00000 0.00000 73 6D+1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 74 6D-1 -0.00000 0.00000 -0.00000 0.00000 -0.00000 75 6D+2 -0.00000 0.00000 -0.00000 0.00000 0.00000 76 6D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 -0.00002 -0.00002 -0.00000 0.00008 0.00000 78 7D+1 0.00000 0.00000 -0.00000 0.00000 -0.00000 79 7D-1 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 80 7D+2 -0.00001 -0.00002 -0.00000 0.00015 0.00000 81 7D-2 -0.00000 -0.00000 0.00005 0.00000 0.00000 82 4 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 83 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 84 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 85 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 86 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 87 3S 0.00000 0.00000 0.00000 -0.00000 -0.00000 88 3PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 89 3PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 90 3PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 91 4S -0.00000 0.00000 0.00000 -0.00007 -0.00006 92 4PX 0.00000 0.00000 -0.00023 -0.00000 -0.00000 93 4PY 0.00006 0.00008 -0.00000 -0.00005 -0.00017 94 4PZ 0.00000 0.00001 -0.00000 -0.00014 0.00002 95 5S 0.00114 0.00174 -0.00000 -0.00058 0.00043 96 5PX -0.00000 -0.00000 -0.00022 -0.00000 0.00000 97 5PY 0.00012 0.00015 0.00000 -0.00003 0.00030 98 5PZ 0.00031 0.00050 0.00000 0.00008 0.00012 99 6D 0 0.00000 -0.00000 -0.00000 0.00000 -0.00000 100 6D+1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 101 6D-1 0.00000 -0.00000 -0.00000 -0.00000 0.00000 102 6D+2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 103 6D-2 -0.00000 0.00000 0.00000 0.00000 -0.00000 104 7D 0 0.00000 0.00000 -0.00000 0.00000 -0.00001 105 7D+1 -0.00000 0.00000 0.00000 -0.00000 -0.00000 106 7D-1 0.00000 0.00000 0.00000 -0.00000 0.00000 107 7D+2 0.00000 0.00000 -0.00000 0.00001 -0.00000 108 7D-2 -0.00000 -0.00000 0.00000 0.00000 -0.00000 109 5 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 110 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 111 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 112 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 113 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 114 3S 0.00000 0.00000 -0.00000 -0.00000 -0.00001 115 3PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 116 3PY 0.00000 0.00000 -0.00000 -0.00000 -0.00002 117 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00004 118 4S -0.00007 -0.00008 0.00000 -0.00005 0.00026 119 4PX 0.00000 0.00000 -0.00011 -0.00000 -0.00000 120 4PY -0.00002 -0.00002 -0.00000 -0.00003 -0.00009 121 4PZ -0.00002 0.00009 0.00000 -0.00011 -0.00045 122 5S -0.00096 -0.00147 0.00000 -0.00047 0.00022 123 5PX 0.00000 0.00000 -0.00017 0.00000 0.00000 124 5PY -0.00026 -0.00039 0.00000 0.00037 0.00068 125 5PZ -0.00013 -0.00025 0.00000 -0.00013 -0.00014 126 6D 0 -0.00000 0.00000 -0.00000 0.00000 0.00000 127 6D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 -0.00000 0.00000 -0.00000 0.00000 0.00000 129 6D+2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 130 6D-2 -0.00000 0.00000 0.00000 0.00000 -0.00000 131 7D 0 -0.00001 -0.00001 -0.00000 -0.00001 0.00010 132 7D+1 -0.00000 -0.00000 0.00001 -0.00000 0.00000 133 7D-1 -0.00001 -0.00002 -0.00000 0.00000 0.00010 134 7D+2 0.00000 0.00000 0.00000 0.00000 -0.00002 135 7D-2 -0.00000 -0.00000 0.00003 0.00000 -0.00000 136 6 C 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00005 137 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00004 138 2PX -0.00000 -0.00000 0.00019 0.00000 0.00000 139 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 140 2PZ -0.00005 -0.00004 0.00000 -0.00000 0.00283 141 3S -0.00036 -0.00061 0.00000 0.00000 0.00789 142 3PX -0.00000 -0.00000 0.00329 0.00000 0.00000 143 3PY -0.00000 0.00000 0.00000 0.00029 0.00000 144 3PZ -0.00176 -0.00310 0.00000 -0.00000 0.01977 145 4S -0.00009 -0.00048 0.00000 -0.00000 0.00287 146 4PX -0.00000 -0.00000 0.00466 0.00000 0.00000 147 4PY -0.00000 -0.00000 0.00000 -0.00024 0.00001 148 4PZ -0.00156 -0.00304 0.00000 -0.00000 0.00383 149 5S 0.00288 0.00459 -0.00000 0.00001 -0.00164 150 5PX 0.00000 0.00000 0.00036 -0.00000 0.00000 151 5PY -0.00000 -0.00000 0.00000 0.00075 0.00000 152 5PZ 0.00047 0.00073 -0.00000 -0.00000 -0.00016 153 6D 0 -0.00002 -0.00003 0.00000 0.00000 0.00064 154 6D+1 -0.00000 -0.00000 0.00008 0.00000 0.00000 155 6D-1 0.00000 0.00000 0.00000 0.00009 -0.00000 156 6D+2 0.00000 0.00000 0.00000 -0.00000 -0.00000 157 6D-2 0.00000 0.00000 -0.00000 0.00000 -0.00000 158 7D 0 -0.00104 -0.00139 -0.00000 -0.00000 0.00052 159 7D+1 -0.00000 -0.00000 0.00157 0.00000 -0.00000 160 7D-1 -0.00000 -0.00000 0.00000 0.00172 0.00000 161 7D+2 0.00000 0.00000 0.00000 0.00000 -0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 163 7 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 164 2S 0.00002 0.00003 -0.00000 -0.00006 -0.00026 165 3S 0.00020 0.00031 -0.00000 -0.00026 -0.00099 166 4PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 167 4PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 168 4PZ -0.00000 -0.00000 -0.00000 0.00000 0.00001 169 8 Mg 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S 0.00000 0.00000 0.00000 0.00000 0.00000 171 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 172 4S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 173 5S -0.00000 -0.00000 0.00000 0.00000 0.00001 174 6S 0.00004 0.00005 -0.00000 -0.00001 -0.00004 175 7S 0.00001 0.00001 -0.00000 0.00000 -0.00000 176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PY 0.00000 0.00000 0.00000 -0.00000 0.00000 178 7PZ 0.00001 0.00001 0.00000 0.00000 -0.00000 179 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 9PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 183 9PY -0.00000 0.00000 0.00000 0.00000 0.00000 184 9PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 185 10PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 186 10PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 187 10PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 188 11PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 189 11PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 190 11PZ -0.00000 -0.00000 0.00000 -0.00000 0.00002 191 12PX -0.00000 -0.00000 0.00001 0.00000 -0.00000 192 12PY 0.00001 0.00001 -0.00000 -0.00000 -0.00002 193 12PZ -0.00008 -0.00011 -0.00000 0.00001 -0.00003 194 13D 0 -0.00000 -0.00000 0.00000 -0.00000 0.00000 195 13D+1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 196 13D-1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 197 13D+2 0.00000 0.00000 -0.00000 0.00000 -0.00000 198 13D-2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 199 14D 0 -0.00000 -0.00001 0.00000 -0.00001 0.00002 200 14D+1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 201 14D-1 0.00000 0.00000 -0.00000 -0.00000 -0.00001 202 14D+2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 203 14D-2 0.00000 -0.00000 0.00000 0.00000 -0.00000 204 9 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 205 2S 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 4S 0.00000 0.00000 0.00000 0.00000 0.00000 208 5S 0.00000 0.00000 0.00000 0.00000 0.00000 209 6S 0.00000 0.00000 0.00000 0.00000 0.00000 210 7S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 211 8S 0.00000 0.00000 -0.00000 0.00000 -0.00000 212 9S -0.00000 -0.00000 -0.00000 0.00000 0.00000 213 9PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 214 9PY -0.00000 -0.00000 0.00000 0.00000 0.00000 215 9PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00000 0.00000 0.00000 0.00000 224 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 0.00000 0.00000 0.00000 0.00000 227 13PZ 0.00000 0.00000 0.00000 0.00000 0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 0.00000 0.00000 0.00000 0.00000 230 14PZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 15PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 232 15PY -0.00000 0.00000 0.00000 0.00000 0.00000 233 15PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 234 16PX 0.00000 0.00000 0.00000 0.00000 -0.00000 235 16PY 0.00000 0.00000 0.00000 0.00000 0.00000 236 16PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 237 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00000 0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 0.00000 0.00000 0.00000 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00000 0.00000 0.00000 0.00000 245 18D+2 0.00000 0.00000 0.00000 0.00000 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00000 0.00000 0.00000 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00000 0.00000 0.00000 0.00000 250 19D+2 0.00000 0.00000 0.00000 0.00000 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00000 0.00000 0.00000 0.00000 0.00000 253 20D+1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 254 20D-1 0.00000 0.00000 -0.00000 -0.00000 -0.00000 255 20D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 256 20D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 257 10 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 258 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 259 3S 0.00000 0.00000 0.00000 -0.00000 -0.00000 260 4PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 261 4PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 262 4PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 263 11 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 264 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 265 3S -0.00001 -0.00001 0.00000 0.00009 0.00001 266 4PX -0.00000 0.00000 -0.00000 0.00000 0.00000 267 4PY -0.00000 0.00000 0.00000 -0.00000 0.00000 268 4PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 269 12 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 270 2S 0.00001 0.00002 -0.00000 -0.00009 -0.00020 271 3S 0.00015 0.00022 -0.00000 -0.00027 -0.00070 272 4PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 273 4PY -0.00000 -0.00000 0.00000 0.00000 0.00000 274 4PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 275 13 H 1S -0.00025 -0.00035 -0.00000 0.00624 0.00204 276 2S -0.00241 -0.00422 0.00000 0.01527 0.00503 277 3S 0.00017 0.00030 0.00000 0.00224 0.00076 278 4PX -0.00000 0.00000 0.00055 0.00000 0.00000 279 4PY -0.00043 -0.00069 0.00000 0.00128 0.00102 280 4PZ -0.00014 -0.00023 0.00000 0.00102 -0.00000 6 7 8 9 10 6 3S 0.43546 7 3PX 0.00000 0.15892 8 3PY 0.00000 0.00000 0.17119 9 3PZ 0.00000 0.00000 -0.00000 0.17956 10 4S 0.15573 0.00000 0.00000 0.00000 0.10992 11 4PX 0.00000 0.08284 0.00000 0.00000 0.00000 12 4PY 0.00000 0.00000 0.05748 -0.00000 0.00000 13 4PZ 0.00000 0.00000 -0.00000 0.05791 0.00000 14 5S 0.06932 0.00000 0.00000 0.00000 0.05229 15 5PX 0.00000 0.00488 -0.00000 0.00000 0.00000 16 5PY 0.00000 -0.00000 -0.00147 0.00000 0.00000 17 5PZ 0.00000 0.00000 0.00000 0.00025 0.00000 18 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 19 6D+1 -0.00000 0.00000 0.00000 0.00000 -0.00000 20 6D-1 -0.00000 0.00000 0.00000 0.00000 -0.00000 21 6D+2 -0.00000 0.00000 0.00000 0.00000 -0.00000 22 6D-2 -0.00000 0.00000 0.00000 0.00000 -0.00000 23 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 -0.00000 0.00000 0.00000 0.00000 -0.00000 26 7D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 C 1S -0.00036 -0.00000 -0.00131 -0.00046 -0.00038 29 2S -0.00062 -0.00000 -0.00232 -0.00080 -0.00087 30 2PX 0.00000 0.00330 0.00000 -0.00000 0.00000 31 2PY 0.00595 0.00000 0.00997 0.00515 0.00241 32 2PZ 0.00204 -0.00000 0.00481 0.00030 0.00097 33 3S 0.01467 0.00000 0.03188 0.01070 0.01327 34 3PX 0.00000 0.01951 0.00000 0.00000 0.00000 35 3PY 0.03169 0.00000 0.02883 0.01821 0.01151 36 3PZ 0.01082 0.00000 0.01724 -0.00084 0.00456 37 4S 0.01171 0.00000 0.01076 0.00386 0.00294 38 4PX 0.00000 0.02402 -0.00000 0.00000 0.00000 39 4PY 0.02247 0.00000 0.00254 0.00594 0.00978 40 4PZ 0.00852 0.00000 0.00441 -0.00318 0.00297 41 5S -0.02432 0.00000 0.00358 -0.00079 -0.04679 42 5PX -0.00000 0.00175 0.00000 -0.00000 -0.00000 43 5PY -0.00792 -0.00000 -0.00028 0.00090 -0.00292 44 5PZ -0.00309 0.00000 0.00002 0.00007 -0.00216 45 6D 0 0.00003 0.00000 0.00001 0.00034 0.00001 46 6D+1 -0.00000 0.00016 0.00000 -0.00000 -0.00000 47 6D-1 0.00070 0.00000 0.00107 0.00003 0.00010 48 6D+2 0.00035 0.00000 0.00020 0.00039 0.00006 49 6D-2 0.00000 0.00040 0.00000 0.00000 0.00000 50 7D 0 -0.00003 -0.00000 0.00029 0.00263 -0.00003 51 7D+1 -0.00000 0.00088 0.00000 0.00000 0.00000 52 7D-1 0.00226 0.00000 0.00120 0.00058 0.00038 53 7D+2 0.00180 0.00000 0.00002 0.00112 0.00028 54 7D-2 0.00000 0.00522 -0.00000 0.00000 0.00000 55 3 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 56 2S 0.00000 0.00000 0.00000 0.00000 0.00002 57 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 58 2PY -0.00002 -0.00000 -0.00007 -0.00000 -0.00010 59 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 60 3S -0.00018 -0.00000 -0.00063 -0.00000 -0.00082 61 3PX -0.00000 -0.00004 -0.00000 -0.00000 -0.00000 62 3PY -0.00063 -0.00000 -0.00129 -0.00000 -0.00073 63 3PZ 0.00000 -0.00000 0.00000 -0.00001 -0.00000 64 4S -0.00082 -0.00000 -0.00073 -0.00000 0.00123 65 4PX -0.00000 -0.00089 0.00000 -0.00000 0.00000 66 4PY -0.00333 0.00000 -0.00303 -0.00000 0.00022 67 4PZ -0.00000 -0.00000 0.00000 0.00035 0.00000 68 5S 0.02686 0.00000 -0.00058 0.00000 0.01767 69 5PX 0.00000 -0.00061 -0.00000 0.00000 0.00000 70 5PY 0.00167 -0.00000 -0.00053 0.00000 0.01013 71 5PZ 0.00000 0.00000 0.00000 0.00170 -0.00000 72 6D 0 0.00000 -0.00000 0.00002 0.00000 0.00001 73 6D+1 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 74 6D-1 0.00000 -0.00000 0.00000 -0.00000 0.00000 75 6D+2 0.00000 -0.00000 0.00001 0.00000 0.00001 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.00031 -0.00000 0.00049 0.00000 0.00013 78 7D+1 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 79 7D-1 0.00000 -0.00000 0.00000 -0.00007 -0.00000 80 7D+2 0.00039 -0.00000 0.00090 0.00000 0.00030 81 7D-2 0.00000 0.00051 0.00000 0.00000 0.00000 82 4 C 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 83 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 84 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 85 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00014 86 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00001 87 3S -0.00003 0.00000 -0.00006 -0.00003 0.00003 88 3PX -0.00000 -0.00008 -0.00000 -0.00000 -0.00000 89 3PY -0.00006 -0.00000 -0.00009 -0.00009 -0.00102 90 3PZ -0.00002 -0.00000 -0.00009 0.00002 -0.00005 91 4S -0.00022 0.00000 -0.00056 -0.00040 0.00031 92 4PX -0.00000 -0.00183 -0.00000 -0.00000 0.00000 93 4PY -0.00095 -0.00000 -0.00043 -0.00105 -0.00217 94 4PZ -0.00017 -0.00000 -0.00089 0.00007 -0.00099 95 5S -0.02070 -0.00000 -0.00352 0.00264 -0.01580 96 5PX 0.00000 -0.00140 -0.00000 0.00000 -0.00000 97 5PY -0.00098 0.00000 -0.00011 0.00161 -0.00898 98 5PZ -0.00603 0.00000 0.00033 0.00074 0.00172 99 6D 0 -0.00000 -0.00000 0.00000 -0.00000 0.00000 100 6D+1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 101 6D-1 -0.00000 -0.00000 -0.00000 0.00000 0.00001 102 6D+2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 103 6D-2 0.00000 0.00000 0.00000 -0.00000 -0.00000 104 7D 0 -0.00001 -0.00000 0.00000 -0.00006 0.00003 105 7D+1 0.00000 0.00001 -0.00000 -0.00000 -0.00000 106 7D-1 -0.00008 0.00000 -0.00001 0.00001 0.00024 107 7D+2 0.00001 -0.00000 0.00010 -0.00004 0.00010 108 7D-2 0.00000 0.00003 0.00000 -0.00000 -0.00000 109 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00008 110 2S 0.00000 0.00000 0.00000 0.00000 0.00015 111 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 112 2PY -0.00000 -0.00000 -0.00000 -0.00002 0.00001 113 2PZ -0.00001 -0.00000 -0.00000 -0.00004 0.00009 114 3S -0.00012 -0.00000 -0.00009 -0.00040 -0.00321 115 3PX -0.00000 -0.00003 -0.00000 -0.00000 0.00000 116 3PY -0.00015 -0.00000 -0.00003 -0.00034 0.00002 117 3PZ -0.00044 -0.00000 -0.00009 -0.00078 0.00062 118 4S 0.00057 0.00000 -0.00030 0.00149 -0.00529 119 4PX -0.00000 -0.00070 -0.00000 0.00000 0.00000 120 4PY -0.00028 -0.00000 -0.00006 -0.00034 0.00113 121 4PZ -0.00362 0.00000 -0.00075 -0.00209 0.00140 122 5S 0.01670 0.00000 -0.00272 0.00177 0.06383 123 5PX -0.00000 -0.00109 0.00000 0.00000 -0.00000 124 5PY 0.00401 0.00000 0.00218 0.00385 0.00411 125 5PZ 0.00368 0.00000 -0.00069 -0.00062 -0.00420 126 6D 0 0.00000 -0.00000 0.00000 0.00001 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 -0.00000 0.00000 0.00001 0.00001 129 6D+2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 131 7D 0 0.00027 0.00000 -0.00008 0.00061 -0.00018 132 7D+1 0.00000 0.00012 -0.00000 0.00000 -0.00000 133 7D-1 0.00030 -0.00000 0.00003 0.00069 0.00020 134 7D+2 -0.00005 -0.00000 -0.00000 -0.00012 0.00003 135 7D-2 0.00000 0.00032 0.00000 -0.00000 -0.00000 136 6 C 1S -0.00036 -0.00000 0.00000 -0.00177 -0.00038 137 2S -0.00060 -0.00000 -0.00000 -0.00310 -0.00100 138 2PX 0.00000 0.00331 0.00000 0.00000 0.00000 139 2PY -0.00000 0.00000 0.00029 -0.00000 0.00000 140 2PZ 0.00797 0.00000 -0.00000 0.01974 0.00289 141 3S 0.01430 0.00000 0.00000 0.04231 0.01746 142 3PX 0.00000 0.01956 0.00000 0.00000 0.00000 143 3PY -0.00000 0.00000 0.00169 -0.00000 0.00001 144 3PZ 0.04259 0.00000 -0.00000 0.06131 0.01379 145 4S 0.01063 0.00000 -0.00000 0.01363 0.00694 146 4PX 0.00000 0.02473 0.00000 0.00000 0.00000 147 4PY 0.00000 0.00000 -0.00096 0.00002 0.00001 148 4PZ 0.03461 0.00000 -0.00000 0.01205 0.00858 149 5S -0.05375 -0.00000 0.00003 -0.00971 -0.06044 150 5PX -0.00000 0.00224 0.00000 0.00000 -0.00000 151 5PY 0.00002 0.00000 0.00416 0.00001 0.00005 152 5PZ -0.00731 -0.00000 -0.00001 -0.00100 0.00116 153 6D 0 0.00111 0.00000 0.00000 0.00153 0.00015 154 6D+1 0.00000 0.00056 0.00000 0.00000 0.00000 155 6D-1 -0.00000 0.00000 0.00053 0.00000 -0.00000 156 6D+2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 157 6D-2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 158 7D 0 0.00451 0.00000 -0.00000 0.00068 0.00021 159 7D+1 0.00000 0.00596 0.00000 -0.00000 0.00000 160 7D-1 -0.00000 0.00000 0.00577 0.00001 -0.00000 161 7D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 162 7D-2 -0.00000 0.00001 0.00000 -0.00000 0.00000 163 7 H 1S -0.00007 -0.00000 -0.00003 -0.00020 -0.00002 164 2S -0.00171 -0.00000 -0.00048 -0.00262 -0.00103 165 3S -0.00359 -0.00000 -0.00137 -0.00563 -0.00103 166 4PX -0.00000 0.00005 -0.00000 -0.00000 0.00000 167 4PY -0.00004 -0.00000 -0.00000 -0.00004 -0.00002 168 4PZ 0.00003 -0.00000 0.00001 0.00020 0.00010 169 8 Mg 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 170 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 171 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 172 4S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 173 5S 0.00005 0.00000 0.00000 0.00012 -0.00063 174 6S -0.00036 -0.00000 -0.00007 -0.00030 -0.00401 175 7S -0.00009 -0.00000 0.00000 -0.00002 0.00032 176 7PX -0.00000 0.00001 0.00000 0.00000 0.00000 177 7PY -0.00001 0.00000 -0.00000 0.00000 0.00002 178 7PZ -0.00011 0.00000 0.00001 -0.00000 0.00075 179 8PX -0.00000 0.00000 0.00000 -0.00000 0.00000 180 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 8PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 182 9PX -0.00000 0.00000 0.00000 -0.00000 0.00000 183 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 9PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 185 10PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 186 10PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 187 10PZ 0.00000 0.00000 0.00000 0.00000 0.00002 188 11PX 0.00000 -0.00001 -0.00000 0.00000 -0.00000 189 11PY -0.00001 -0.00000 -0.00000 -0.00003 0.00000 190 11PZ 0.00004 0.00000 -0.00001 0.00014 -0.00045 191 12PX 0.00000 0.00007 0.00000 -0.00000 -0.00000 192 12PY -0.00009 -0.00000 -0.00002 -0.00013 -0.00017 193 12PZ 0.00122 -0.00000 0.00010 -0.00025 -0.00679 194 13D 0 0.00000 0.00000 -0.00000 0.00000 -0.00002 195 13D+1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 196 13D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 197 13D+2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 198 13D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 199 14D 0 0.00013 0.00000 -0.00003 0.00011 -0.00089 200 14D+1 0.00000 -0.00001 -0.00000 0.00000 -0.00000 201 14D-1 -0.00003 -0.00000 -0.00000 -0.00007 -0.00021 202 14D+2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 203 14D-2 0.00000 0.00001 0.00000 -0.00000 -0.00000 204 9 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 205 2S 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 207 4S 0.00000 0.00000 0.00000 0.00000 -0.00000 208 5S 0.00000 0.00000 0.00000 0.00000 0.00000 209 6S 0.00000 0.00000 0.00000 0.00000 0.00000 210 7S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 211 8S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 212 9S 0.00003 -0.00000 0.00000 0.00000 -0.00008 213 9PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 214 9PY 0.00000 0.00000 0.00000 0.00000 0.00001 215 9PZ 0.00004 0.00000 0.00000 -0.00000 -0.00012 216 10PX 0.00000 0.00000 0.00000 0.00000 -0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 -0.00000 220 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00000 0.00000 0.00000 -0.00000 224 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 13PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 226 13PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 227 13PZ 0.00000 0.00000 0.00000 0.00000 0.00000 228 14PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 229 14PY 0.00000 0.00000 -0.00000 0.00000 0.00000 230 14PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 231 15PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 232 15PY 0.00000 0.00000 -0.00000 0.00000 0.00000 233 15PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 234 16PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 235 16PY 0.00000 0.00000 0.00000 0.00000 0.00000 236 16PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 237 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00000 -0.00000 240 17D+2 0.00000 0.00000 0.00000 0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 -0.00000 -0.00000 0.00000 -0.00000 0.00000 243 18D+1 -0.00000 -0.00000 -0.00000 0.00000 0.00000 244 18D-1 0.00000 -0.00000 0.00000 -0.00000 -0.00000 245 18D+2 0.00000 0.00000 0.00000 0.00000 0.00000 246 18D-2 0.00000 -0.00000 0.00000 -0.00000 0.00000 247 19D 0 0.00000 0.00000 0.00000 0.00000 -0.00000 248 19D+1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 249 19D-1 0.00000 -0.00000 0.00000 -0.00000 -0.00000 250 19D+2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 251 19D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 252 20D 0 -0.00000 0.00000 0.00000 0.00000 -0.00000 253 20D+1 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 254 20D-1 -0.00000 0.00000 -0.00000 0.00000 0.00000 255 20D+2 0.00000 -0.00000 -0.00000 0.00000 0.00000 256 20D-2 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 257 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 258 2S -0.00000 0.00000 -0.00000 -0.00000 0.00006 259 3S -0.00003 0.00000 -0.00001 -0.00003 0.00030 260 4PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 261 4PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 262 4PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 263 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00001 0.00000 0.00002 0.00000 0.00003 265 3S 0.00026 0.00000 0.00069 0.00006 0.00031 266 4PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 267 4PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 268 4PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 269 12 H 1S -0.00006 -0.00000 -0.00007 -0.00013 -0.00061 270 2S -0.00146 -0.00000 -0.00100 -0.00189 -0.00355 271 3S -0.00246 -0.00000 -0.00161 -0.00391 -0.00341 272 4PX -0.00000 0.00004 -0.00000 -0.00000 -0.00000 273 4PY 0.00003 0.00000 0.00005 0.00007 0.00006 274 4PZ -0.00004 -0.00000 0.00001 0.00001 -0.00010 275 13 H 1S 0.01578 0.00000 0.02986 0.00977 0.01274 276 2S 0.04839 0.00000 0.05695 0.01872 0.03925 277 3S -0.00429 0.00000 0.01061 0.00356 0.00271 278 4PX 0.00000 0.00242 0.00000 0.00000 0.00000 279 4PY 0.00540 0.00000 0.00189 0.00231 0.00163 280 4PZ 0.00179 0.00000 0.00230 0.00013 0.00051 11 12 13 14 15 11 4PX 0.10231 12 4PY 0.00000 0.04814 13 4PZ 0.00000 0.00000 0.04721 14 5S 0.00000 0.00000 0.00000 0.39376 15 5PX 0.01200 0.00000 0.00000 0.00000 0.00425 16 5PY 0.00000 -0.00032 0.00000 0.00000 0.00000 17 5PZ 0.00000 0.00000 0.00153 0.00000 0.00000 18 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 19 6D+1 0.00000 0.00000 0.00000 -0.00000 0.00000 20 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 21 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 22 6D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 23 7D 0 0.00000 0.00000 0.00000 -0.00000 0.00000 24 7D+1 0.00000 0.00000 0.00000 -0.00000 0.00000 25 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 26 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 27 7D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 28 2 C 1S -0.00000 -0.00088 -0.00064 0.00021 0.00000 29 2S -0.00000 -0.00190 -0.00094 0.00037 0.00000 30 2PX 0.00457 0.00000 0.00000 0.00000 0.00042 31 2PY 0.00000 0.00112 0.00156 -0.00033 0.00000 32 2PZ 0.00000 0.00136 -0.00076 0.00079 0.00000 33 3S 0.00000 0.02409 0.00686 -0.00567 -0.00000 34 3PX 0.02419 0.00000 0.00000 0.00000 0.00256 35 3PY 0.00000 0.00226 0.00632 -0.00182 0.00000 36 3PZ 0.00000 0.00560 -0.00403 0.00434 0.00000 37 4S 0.00000 0.00838 0.00331 0.00319 -0.00000 38 4PX 0.03780 0.00000 0.00000 0.00000 0.00652 39 4PY 0.00000 -0.00403 0.00358 -0.00238 0.00000 40 4PZ 0.00000 0.00190 -0.00641 0.00853 0.00000 41 5S 0.00000 0.00429 -0.00043 -0.11170 -0.00000 42 5PX 0.00427 0.00000 0.00000 -0.00000 0.00165 43 5PY -0.00000 -0.00117 0.00065 0.00682 0.00000 44 5PZ 0.00000 0.00020 -0.00000 -0.00941 -0.00000 45 6D 0 0.00000 0.00001 0.00012 0.00000 0.00000 46 6D+1 0.00008 -0.00000 -0.00000 -0.00000 0.00000 47 6D-1 0.00000 0.00004 -0.00002 -0.00000 0.00000 48 6D+2 0.00000 -0.00002 0.00005 0.00001 -0.00000 49 6D-2 0.00022 0.00000 -0.00000 0.00000 0.00001 50 7D 0 -0.00000 0.00021 0.00111 0.00001 -0.00000 51 7D+1 0.00053 0.00000 -0.00000 -0.00000 0.00001 52 7D-1 0.00000 0.00001 0.00046 0.00005 0.00000 53 7D+2 0.00000 0.00034 0.00031 0.00016 -0.00000 54 7D-2 0.00385 -0.00000 -0.00000 0.00000 0.00019 55 3 C 1S -0.00000 -0.00005 0.00000 -0.00160 0.00000 56 2S -0.00000 0.00004 -0.00000 -0.00240 0.00000 57 2PX -0.00013 0.00000 -0.00000 -0.00000 -0.00010 58 2PY -0.00000 -0.00060 -0.00000 -0.00015 0.00000 59 2PZ -0.00000 0.00000 0.00007 -0.00000 0.00000 60 3S -0.00000 -0.00333 -0.00000 0.02686 -0.00000 61 3PX -0.00089 0.00000 -0.00000 -0.00000 -0.00061 62 3PY -0.00000 -0.00303 0.00000 -0.00058 0.00000 63 3PZ -0.00000 -0.00000 0.00035 0.00000 0.00000 64 4S -0.00000 0.00022 -0.00000 0.01767 0.00000 65 4PX -0.00384 0.00000 -0.00000 -0.00000 -0.00169 66 4PY 0.00000 -0.00271 -0.00000 -0.00596 -0.00000 67 4PZ -0.00000 0.00000 0.00156 0.00000 -0.00000 68 5S 0.00000 -0.00596 0.00000 0.16599 -0.00000 69 5PX -0.00169 0.00000 -0.00000 0.00000 -0.00025 70 5PY -0.00000 -0.00014 0.00000 0.00850 0.00000 71 5PZ -0.00000 -0.00000 0.00035 0.00000 -0.00000 72 6D 0 0.00000 0.00003 0.00000 0.00001 -0.00000 73 6D+1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 74 6D-1 -0.00000 0.00000 -0.00002 0.00000 -0.00000 75 6D+2 -0.00000 0.00002 0.00000 0.00002 0.00000 76 6D-2 0.00004 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.00000 0.00020 0.00000 0.00029 0.00000 78 7D+1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 79 7D-1 0.00000 0.00000 -0.00021 0.00000 0.00000 80 7D+2 -0.00000 0.00046 0.00000 0.00002 0.00000 81 7D-2 0.00123 -0.00000 0.00000 0.00000 0.00014 82 4 C 1S -0.00000 0.00002 0.00002 0.00151 0.00000 83 2S -0.00000 0.00004 0.00003 0.00224 -0.00000 84 2PX -0.00023 -0.00000 -0.00000 -0.00000 -0.00024 85 2PY -0.00000 -0.00013 -0.00015 -0.00002 -0.00000 86 2PZ -0.00000 -0.00010 0.00003 0.00054 -0.00000 87 3S 0.00000 -0.00062 -0.00038 -0.02526 0.00000 88 3PX -0.00182 -0.00000 -0.00000 -0.00000 -0.00153 89 3PY -0.00000 -0.00090 -0.00101 -0.00055 -0.00000 90 3PZ -0.00000 -0.00062 0.00014 0.00309 -0.00000 91 4S 0.00000 -0.00154 -0.00102 -0.02506 -0.00000 92 4PX -0.00791 -0.00000 -0.00000 -0.00000 -0.00467 93 4PY -0.00000 -0.00101 -0.00229 -0.00128 -0.00000 94 4PZ -0.00000 -0.00209 0.00001 0.00855 -0.00000 95 5S -0.00000 -0.00398 0.00685 -0.08817 0.00000 96 5PX -0.00452 0.00000 -0.00000 0.00000 -0.00296 97 5PY -0.00000 -0.00059 0.00146 0.00315 0.00000 98 5PZ -0.00000 0.00253 0.00010 -0.01346 -0.00000 99 6D 0 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 100 6D+1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 101 6D-1 -0.00000 0.00000 0.00000 -0.00000 -0.00000 102 6D+2 -0.00000 0.00000 -0.00001 -0.00002 -0.00000 103 6D-2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 104 7D 0 -0.00000 -0.00003 -0.00013 -0.00011 -0.00000 105 7D+1 0.00004 -0.00000 0.00000 0.00000 0.00002 106 7D-1 0.00000 0.00011 0.00001 -0.00043 0.00000 107 7D+2 -0.00000 0.00012 -0.00009 -0.00015 -0.00000 108 7D-2 0.00009 -0.00000 -0.00000 -0.00000 -0.00004 109 5 C 1S -0.00000 0.00004 0.00000 -0.00018 -0.00000 110 2S -0.00000 0.00009 0.00008 -0.00045 -0.00000 111 2PX -0.00012 -0.00000 0.00000 -0.00000 -0.00020 112 2PY -0.00000 -0.00001 -0.00001 0.00045 0.00000 113 2PZ -0.00000 0.00003 -0.00040 -0.00160 0.00000 114 3S -0.00000 -0.00192 -0.00311 0.00797 0.00000 115 3PX -0.00082 -0.00000 0.00000 -0.00000 -0.00126 116 3PY -0.00000 -0.00002 -0.00006 0.00257 0.00000 117 3PZ -0.00000 0.00018 -0.00204 -0.00983 0.00000 118 4S 0.00000 -0.00254 0.00324 0.04792 0.00000 119 4PX -0.00352 -0.00000 -0.00000 -0.00000 -0.00363 120 4PY -0.00000 0.00021 0.00093 0.00659 0.00000 121 4PZ -0.00000 0.00033 -0.00279 -0.02694 0.00000 122 5S 0.00000 0.00003 0.01071 0.05485 -0.00000 123 5PX -0.00237 -0.00000 0.00000 -0.00000 0.00005 124 5PY 0.00000 0.00476 0.00528 0.00545 -0.00000 125 5PZ 0.00000 -0.00210 -0.00069 -0.01535 -0.00000 126 6D 0 0.00000 -0.00000 0.00001 0.00001 -0.00000 127 6D+1 0.00001 0.00000 0.00000 0.00000 -0.00000 128 6D-1 -0.00000 0.00000 0.00003 0.00002 -0.00000 129 6D+2 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 130 6D-2 0.00003 -0.00000 0.00000 -0.00000 0.00000 131 7D 0 0.00000 -0.00031 0.00022 0.00066 -0.00000 132 7D+1 0.00028 -0.00000 0.00000 0.00000 0.00001 133 7D-1 -0.00000 0.00000 0.00043 0.00011 -0.00000 134 7D+2 -0.00000 -0.00006 -0.00009 -0.00015 -0.00000 135 7D-2 0.00089 -0.00000 0.00000 -0.00000 0.00010 136 6 C 1S -0.00000 0.00000 -0.00176 -0.00054 0.00000 137 2S -0.00000 0.00000 -0.00325 -0.00042 0.00000 138 2PX 0.00454 0.00000 0.00000 0.00000 0.00020 139 2PY 0.00000 -0.00030 0.00000 -0.00000 0.00000 140 2PZ 0.00000 -0.00000 0.00336 0.00145 0.00000 141 3S 0.00000 0.00002 0.03497 -0.00334 -0.00000 142 3PX 0.02392 0.00000 0.00000 0.00000 0.00123 143 3PY 0.00000 -0.00122 0.00000 -0.00002 0.00000 144 3PZ 0.00000 -0.00001 0.01060 0.00792 0.00000 145 4S 0.00000 0.00000 0.01118 -0.02121 -0.00000 146 4PX 0.03811 0.00000 0.00000 0.00000 0.00306 147 4PY 0.00000 -0.00377 0.00002 -0.00002 0.00000 148 4PZ 0.00000 -0.00001 0.00017 0.01682 -0.00000 149 5S -0.00000 0.00006 -0.01502 -0.32033 -0.00000 150 5PX 0.00492 0.00000 0.00000 -0.00000 -0.00008 151 5PY 0.00000 0.00460 0.00001 -0.00001 -0.00000 152 5PZ -0.00000 -0.00001 -0.00193 -0.05207 0.00000 153 6D 0 -0.00000 -0.00000 -0.00003 0.00003 -0.00000 154 6D+1 0.00030 0.00000 -0.00000 0.00000 0.00001 155 6D-1 0.00000 0.00022 -0.00000 0.00000 0.00000 156 6D+2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 157 6D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 158 7D 0 0.00000 -0.00000 -0.00026 0.00055 -0.00000 159 7D+1 0.00433 0.00000 -0.00000 0.00000 0.00024 160 7D-1 0.00000 0.00294 0.00000 0.00000 0.00000 161 7D+2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 162 7D-2 0.00001 0.00000 0.00000 -0.00000 0.00000 163 7 H 1S -0.00000 -0.00074 -0.00095 -0.00734 -0.00000 164 2S -0.00000 -0.00279 -0.00402 -0.02816 -0.00000 165 3S -0.00000 -0.00291 -0.00790 -0.03400 -0.00000 166 4PX 0.00028 -0.00000 -0.00000 -0.00000 0.00003 167 4PY -0.00000 0.00001 -0.00003 -0.00019 0.00000 168 4PZ -0.00000 -0.00002 0.00027 -0.00012 0.00000 169 8 Mg 1S 0.00000 0.00000 0.00000 0.00001 -0.00000 170 2S 0.00000 0.00000 0.00000 0.00006 -0.00000 171 3S -0.00000 -0.00000 -0.00000 -0.00054 0.00000 172 4S -0.00000 -0.00000 -0.00001 -0.00142 -0.00000 173 5S 0.00000 -0.00016 0.00022 0.01298 0.00000 174 6S -0.00000 -0.00048 -0.00259 -0.01097 0.00000 175 7S -0.00000 0.00003 0.00006 0.00005 -0.00000 176 7PX 0.00003 0.00000 -0.00000 -0.00000 0.00004 177 7PY 0.00000 -0.00000 0.00001 0.00010 0.00000 178 7PZ 0.00000 0.00006 0.00004 -0.00211 0.00000 179 8PX 0.00000 0.00000 -0.00000 0.00000 0.00000 180 8PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 181 8PZ -0.00000 0.00000 0.00000 0.00008 -0.00000 182 9PX 0.00000 0.00000 -0.00000 0.00000 0.00002 183 9PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 184 9PZ -0.00000 0.00000 0.00000 0.00093 -0.00000 185 10PX -0.00001 -0.00000 0.00000 0.00000 -0.00004 186 10PY -0.00000 0.00000 0.00001 0.00018 0.00000 187 10PZ 0.00000 0.00000 0.00017 0.00363 0.00000 188 11PX -0.00010 -0.00000 0.00000 -0.00000 -0.00028 189 11PY -0.00000 -0.00001 -0.00005 0.00027 0.00000 190 11PZ 0.00000 -0.00011 0.00017 0.00045 0.00000 191 12PX 0.00014 -0.00000 -0.00000 0.00000 -0.00016 192 12PY -0.00000 -0.00005 -0.00027 -0.00090 -0.00000 193 12PZ -0.00000 -0.00072 -0.00300 0.00166 0.00000 194 13D 0 0.00000 -0.00001 -0.00002 0.00017 0.00000 195 13D+1 -0.00000 -0.00000 0.00000 0.00000 -0.00002 196 13D-1 -0.00000 -0.00000 -0.00001 -0.00004 -0.00000 197 13D+2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 198 13D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 199 14D 0 -0.00000 -0.00029 -0.00032 0.00175 -0.00000 200 14D+1 -0.00011 -0.00000 0.00000 0.00000 -0.00027 201 14D-1 -0.00000 0.00000 -0.00033 -0.00109 -0.00000 202 14D+2 -0.00000 -0.00000 -0.00001 -0.00003 -0.00000 203 14D-2 0.00004 0.00000 -0.00000 0.00000 0.00002 204 9 Br 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 205 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 206 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 207 4S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 208 5S 0.00000 0.00000 0.00000 0.00000 -0.00000 209 6S 0.00000 0.00000 0.00000 0.00001 -0.00000 210 7S -0.00000 -0.00000 -0.00000 -0.00007 0.00000 211 8S -0.00000 0.00000 -0.00000 -0.00025 -0.00000 212 9S -0.00000 -0.00001 -0.00009 0.00046 0.00000 213 9PX -0.00001 -0.00000 -0.00000 0.00000 0.00000 214 9PY 0.00000 0.00000 0.00002 0.00015 0.00000 215 9PZ -0.00000 -0.00001 -0.00011 0.00060 0.00000 216 10PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 219 11PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 220 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 222 12PX -0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 224 12PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 225 13PX -0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 227 13PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 228 14PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 229 14PY 0.00000 0.00000 0.00000 0.00000 0.00000 230 14PZ -0.00000 -0.00000 -0.00000 -0.00001 0.00000 231 15PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 232 15PY 0.00000 0.00000 0.00000 0.00004 0.00000 233 15PZ -0.00000 -0.00000 -0.00000 -0.00010 0.00000 234 16PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 235 16PY 0.00000 -0.00000 0.00000 0.00020 0.00000 236 16PZ -0.00000 -0.00000 -0.00001 -0.00063 0.00000 237 17D 0 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 238 17D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 240 17D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 242 18D 0 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 243 18D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 245 18D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 246 18D-2 -0.00000 0.00000 0.00000 0.00000 -0.00000 247 19D 0 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 248 19D+1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 249 19D-1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 250 19D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 252 20D 0 -0.00000 -0.00000 -0.00000 -0.00002 0.00000 253 20D+1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 254 20D-1 0.00000 -0.00000 0.00000 0.00001 0.00000 255 20D+2 -0.00000 0.00000 0.00000 -0.00000 0.00000 256 20D-2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 257 10 H 1S 0.00000 0.00001 0.00000 -0.00143 0.00000 258 2S 0.00000 0.00006 0.00002 -0.00595 0.00000 259 3S 0.00000 0.00014 -0.00012 -0.00551 0.00000 260 4PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 261 4PY -0.00000 0.00000 -0.00000 -0.00022 -0.00000 262 4PZ -0.00000 -0.00000 0.00000 -0.00003 -0.00000 263 11 H 1S 0.00000 0.00007 0.00001 0.00160 0.00000 264 2S 0.00000 0.00055 0.00009 0.00605 0.00000 265 3S 0.00000 0.00201 0.00021 -0.00046 0.00000 266 4PX -0.00000 0.00000 -0.00000 0.00000 -0.00001 267 4PY 0.00000 -0.00000 0.00000 0.00023 0.00000 268 4PZ -0.00000 0.00000 -0.00000 0.00002 0.00000 269 12 H 1S -0.00000 -0.00037 -0.00170 -0.00608 0.00000 270 2S -0.00000 -0.00156 -0.00671 -0.02284 0.00000 271 3S -0.00000 -0.00211 -0.00674 -0.01049 0.00000 272 4PX 0.00027 -0.00000 -0.00000 -0.00000 0.00006 273 4PY -0.00000 0.00002 0.00012 -0.00002 0.00000 274 4PZ -0.00000 0.00004 -0.00009 -0.00040 0.00000 275 13 H 1S 0.00000 0.01661 0.00547 0.00531 -0.00000 276 2S -0.00000 0.04162 0.01381 0.01746 0.00000 277 3S 0.00000 0.01189 0.00390 -0.00029 0.00000 278 4PX 0.00199 0.00000 0.00000 0.00000 0.00015 279 4PY 0.00000 -0.00032 0.00056 0.00020 0.00000 280 4PZ 0.00000 0.00056 0.00005 0.00012 0.00000 16 17 18 19 20 16 5PY 0.03163 17 5PZ -0.00000 0.07732 18 6D 0 0.00000 0.00000 0.00061 19 6D+1 0.00000 0.00000 0.00000 0.00018 20 6D-1 0.00000 0.00000 0.00000 0.00000 0.00066 21 6D+2 0.00000 0.00000 -0.00000 0.00000 -0.00000 22 6D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 23 7D 0 0.00000 0.00000 0.00021 0.00000 -0.00000 24 7D+1 0.00000 0.00000 0.00000 0.00024 0.00000 25 7D-1 0.00000 0.00000 -0.00000 0.00000 0.00027 26 7D+2 0.00000 0.00000 0.00000 0.00000 -0.00000 27 7D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 28 2 C 1S 0.00035 0.00018 -0.00000 0.00000 -0.00001 29 2S 0.00053 0.00030 -0.00000 0.00000 -0.00002 30 2PX 0.00000 0.00000 0.00000 0.00002 0.00000 31 2PY 0.00019 0.00000 0.00000 0.00000 0.00038 32 2PZ 0.00000 0.00049 0.00007 -0.00000 0.00003 33 3S -0.00528 -0.00345 0.00004 -0.00000 0.00068 34 3PX 0.00000 0.00000 0.00000 0.00012 0.00000 35 3PY 0.00111 0.00003 -0.00000 0.00000 0.00103 36 3PZ -0.00000 0.00289 0.00036 -0.00000 0.00003 37 4S -0.00818 -0.00620 0.00000 -0.00000 0.00011 38 4PX 0.00000 0.00000 0.00000 0.00007 0.00000 39 4PY 0.00163 -0.00006 0.00000 -0.00000 0.00005 40 4PZ -0.00035 0.00710 0.00011 -0.00000 -0.00001 41 5S -0.03109 -0.01114 -0.00000 0.00000 0.00001 42 5PX 0.00000 0.00000 -0.00000 0.00000 0.00000 43 5PY 0.01474 -0.00475 -0.00001 -0.00000 -0.00000 44 5PZ -0.00047 -0.00511 0.00000 0.00000 -0.00000 45 6D 0 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 46 6D+1 -0.00000 0.00000 -0.00000 0.00000 0.00000 47 6D-1 0.00000 -0.00000 -0.00001 0.00000 0.00004 48 6D+2 0.00000 -0.00000 -0.00001 -0.00000 0.00001 49 6D-2 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 50 7D 0 0.00005 -0.00009 -0.00004 -0.00000 0.00000 51 7D+1 0.00000 0.00000 -0.00000 0.00000 -0.00000 52 7D-1 -0.00002 -0.00005 -0.00004 0.00000 -0.00000 53 7D+2 0.00003 -0.00002 -0.00002 -0.00000 -0.00000 54 7D-2 -0.00000 -0.00000 -0.00000 -0.00005 -0.00000 55 3 C 1S -0.00022 -0.00000 -0.00000 0.00000 -0.00000 56 2S -0.00028 0.00000 0.00000 -0.00000 0.00000 57 2PX 0.00000 0.00000 0.00000 -0.00000 0.00000 58 2PY -0.00011 -0.00000 0.00000 -0.00000 0.00000 59 2PZ -0.00000 0.00031 0.00000 0.00000 -0.00000 60 3S 0.00167 0.00000 0.00000 -0.00000 0.00000 61 3PX 0.00000 0.00000 0.00000 -0.00000 0.00000 62 3PY -0.00053 0.00000 0.00002 -0.00000 0.00000 63 3PZ 0.00000 0.00170 0.00000 0.00000 -0.00000 64 4S 0.01013 -0.00000 0.00001 -0.00000 0.00000 65 4PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 66 4PY -0.00014 -0.00000 0.00003 -0.00000 0.00000 67 4PZ 0.00000 0.00035 0.00000 0.00000 -0.00002 68 5S 0.00850 -0.00000 0.00001 -0.00000 0.00000 69 5PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 70 5PY -0.00035 -0.00000 -0.00000 -0.00000 0.00000 71 5PZ 0.00000 -0.00399 0.00000 0.00000 -0.00001 72 6D 0 -0.00000 0.00000 0.00000 -0.00000 0.00000 73 6D+1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 74 6D-1 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 75 6D+2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 76 6D-2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 77 7D 0 0.00002 -0.00000 0.00000 -0.00000 0.00000 78 7D+1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 79 7D-1 -0.00000 0.00032 0.00000 -0.00000 -0.00001 80 7D+2 0.00001 -0.00000 0.00000 -0.00000 0.00000 81 7D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S 0.00040 0.00011 0.00000 -0.00000 0.00000 83 2S 0.00050 0.00025 -0.00000 0.00000 -0.00000 84 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 85 2PY 0.00002 -0.00002 0.00000 -0.00000 -0.00000 86 2PZ -0.00008 -0.00019 -0.00000 -0.00000 0.00000 87 3S -0.00317 -0.00434 0.00000 0.00000 -0.00000 88 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 89 3PY 0.00012 -0.00024 0.00000 -0.00000 -0.00000 90 3PZ -0.00048 -0.00124 -0.00000 0.00000 0.00000 91 4S -0.00844 0.00003 0.00000 -0.00000 0.00000 92 4PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 93 4PY 0.00011 -0.00047 -0.00000 -0.00000 -0.00000 94 4PZ -0.00205 -0.00448 -0.00000 0.00000 0.00000 95 5S -0.00583 -0.00410 -0.00000 0.00000 0.00002 96 5PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 97 5PY 0.00031 0.00047 0.00000 0.00000 -0.00000 98 5PZ -0.00124 -0.00334 0.00000 0.00000 0.00000 99 6D 0 -0.00000 -0.00002 -0.00000 -0.00000 0.00000 100 6D+1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 101 6D-1 0.00000 0.00000 0.00000 -0.00000 0.00000 102 6D+2 -0.00000 -0.00001 0.00000 -0.00000 0.00000 103 6D-2 0.00000 -0.00000 0.00000 0.00000 -0.00000 104 7D 0 -0.00011 -0.00055 -0.00000 -0.00000 0.00000 105 7D+1 -0.00000 0.00000 -0.00000 -0.00000 0.00000 106 7D-1 0.00006 0.00021 0.00000 -0.00000 0.00000 107 7D+2 -0.00003 -0.00013 -0.00000 -0.00000 0.00000 108 7D-2 0.00000 -0.00000 0.00000 0.00000 -0.00000 109 5 C 1S 0.00009 -0.00025 -0.00000 0.00000 -0.00000 110 2S 0.00020 -0.00058 -0.00000 -0.00000 0.00000 111 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 112 2PY -0.00000 0.00018 -0.00000 0.00000 0.00000 113 2PZ 0.00026 -0.00038 -0.00000 -0.00000 0.00000 114 3S -0.00333 0.00908 -0.00000 -0.00000 0.00000 115 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 116 3PY -0.00005 0.00090 -0.00000 0.00000 0.00001 117 3PZ 0.00153 -0.00185 -0.00000 -0.00000 0.00002 118 4S -0.00307 0.02611 0.00001 0.00000 0.00001 119 4PX 0.00000 0.00000 0.00000 0.00005 0.00000 120 4PY 0.00065 0.00296 -0.00000 0.00000 0.00001 121 4PZ 0.00179 -0.00130 0.00000 -0.00000 0.00005 122 5S 0.05465 -0.08263 0.00001 -0.00000 0.00003 123 5PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 124 5PY -0.01506 -0.00945 0.00001 -0.00000 -0.00002 125 5PZ -0.00653 -0.00106 0.00000 -0.00000 0.00000 126 6D 0 0.00000 -0.00000 0.00000 -0.00000 0.00000 127 6D+1 -0.00000 0.00000 0.00000 0.00000 -0.00000 128 6D-1 -0.00000 0.00000 0.00000 -0.00000 0.00000 129 6D+2 0.00000 -0.00000 -0.00000 0.00000 0.00000 130 6D-2 -0.00000 -0.00000 0.00000 0.00000 0.00000 131 7D 0 -0.00007 -0.00033 0.00000 0.00000 0.00000 132 7D+1 -0.00000 0.00000 0.00000 0.00000 -0.00000 133 7D-1 -0.00008 -0.00002 0.00001 -0.00000 0.00000 134 7D+2 -0.00002 -0.00007 -0.00000 -0.00000 -0.00000 135 7D-2 -0.00000 -0.00000 0.00000 0.00000 0.00000 136 6 C 1S -0.00000 0.00046 -0.00002 -0.00000 -0.00000 137 2S -0.00000 0.00068 -0.00003 -0.00000 -0.00000 138 2PX 0.00000 0.00000 0.00000 0.00008 0.00000 139 2PY 0.00028 0.00000 -0.00000 0.00000 0.00009 140 2PZ 0.00000 -0.00002 0.00061 0.00000 0.00000 141 3S 0.00002 -0.00628 0.00107 0.00000 0.00000 142 3PX 0.00000 0.00000 0.00000 0.00055 0.00000 143 3PY 0.00158 0.00000 -0.00000 0.00000 0.00054 144 3PZ 0.00001 -0.00004 0.00147 0.00000 0.00000 145 4S 0.00001 -0.01106 0.00015 0.00000 -0.00000 146 4PX 0.00000 0.00000 -0.00000 0.00031 0.00000 147 4PY 0.00317 0.00001 0.00000 0.00000 0.00021 148 4PZ 0.00000 -0.00243 -0.00003 -0.00000 0.00000 149 5S -0.00007 -0.02975 -0.00001 0.00000 -0.00000 150 5PX 0.00000 0.00000 0.00000 0.00001 0.00000 151 5PY -0.03291 -0.00005 0.00000 0.00000 -0.00002 152 5PZ 0.00005 0.05471 -0.00001 -0.00000 -0.00000 153 6D 0 0.00000 -0.00001 0.00010 0.00000 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 155 6D-1 -0.00000 -0.00000 0.00000 -0.00000 -0.00005 156 6D+2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 157 6D-2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 158 7D 0 -0.00000 -0.00055 0.00001 0.00000 -0.00000 159 7D+1 0.00000 0.00000 -0.00000 -0.00002 -0.00000 160 7D-1 0.00016 -0.00000 0.00000 -0.00000 -0.00012 161 7D+2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 162 7D-2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 163 7 H 1S 0.00050 -0.00105 -0.00000 0.00000 0.00000 164 2S 0.00201 -0.00292 -0.00002 0.00000 0.00008 165 3S 0.00121 -0.00560 -0.00003 -0.00000 0.00004 166 4PX -0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY -0.00005 -0.00001 -0.00000 0.00000 0.00000 168 4PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 169 8 Mg 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S 0.00002 0.00001 0.00000 0.00000 0.00000 171 3S -0.00014 -0.00013 -0.00000 -0.00000 0.00000 172 4S -0.00015 -0.00099 -0.00000 -0.00000 0.00000 173 5S -0.00503 0.02579 0.00000 0.00000 -0.00000 174 6S -0.00694 0.01538 -0.00000 -0.00000 -0.00000 175 7S 0.00031 -0.00089 -0.00000 -0.00000 -0.00000 176 7PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 177 7PY 0.00019 0.00017 -0.00000 -0.00000 0.00000 178 7PZ 0.00044 -0.00053 0.00000 0.00000 0.00000 179 8PX -0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY -0.00001 -0.00005 0.00000 0.00000 0.00000 181 8PZ 0.00001 0.00002 0.00000 0.00000 0.00000 182 9PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 183 9PY -0.00017 -0.00052 0.00000 -0.00000 -0.00000 184 9PZ 0.00011 0.00027 -0.00000 -0.00000 0.00000 185 10PX 0.00000 0.00000 0.00000 0.00000 -0.00000 186 10PY -0.00000 0.00025 -0.00000 0.00000 0.00000 187 10PZ 0.00036 0.00192 0.00000 0.00000 -0.00000 188 11PX -0.00000 0.00000 0.00000 0.00000 0.00000 189 11PY 0.00053 0.00147 -0.00000 0.00000 0.00000 190 11PZ -0.00145 0.00395 0.00000 0.00000 -0.00000 191 12PX -0.00000 0.00000 0.00000 0.00000 0.00000 192 12PY -0.00011 -0.00054 -0.00000 0.00000 0.00000 193 12PZ -0.00816 0.01459 -0.00000 -0.00000 0.00000 194 13D 0 -0.00017 0.00034 -0.00000 -0.00000 -0.00000 195 13D+1 -0.00000 0.00000 -0.00000 0.00000 0.00000 196 13D-1 -0.00004 -0.00015 -0.00000 0.00000 0.00000 197 13D+2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 198 13D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 199 14D 0 -0.00181 0.00239 0.00000 -0.00000 -0.00000 200 14D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 201 14D-1 -0.00061 -0.00163 -0.00000 0.00000 0.00000 202 14D+2 -0.00002 -0.00004 -0.00000 0.00000 0.00000 203 14D-2 0.00000 0.00000 -0.00000 0.00000 -0.00000 204 9 Br 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 205 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 206 3S -0.00000 0.00000 0.00000 0.00000 0.00000 207 4S -0.00000 0.00000 0.00000 0.00000 0.00000 208 5S 0.00000 -0.00000 0.00000 0.00000 0.00000 209 6S 0.00000 -0.00000 0.00000 0.00000 0.00000 210 7S -0.00002 -0.00001 -0.00000 -0.00000 0.00000 211 8S -0.00000 -0.00029 -0.00000 -0.00000 0.00000 212 9S -0.00040 0.00209 0.00000 -0.00000 0.00000 213 9PX -0.00000 0.00000 0.00000 -0.00000 0.00000 214 9PY 0.00010 0.00033 0.00000 -0.00000 -0.00000 215 9PZ -0.00037 0.00171 0.00000 -0.00000 0.00000 216 10PX -0.00000 -0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ -0.00000 0.00000 0.00000 0.00000 0.00000 219 11PX -0.00000 -0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ -0.00000 0.00000 0.00000 0.00000 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY -0.00000 -0.00000 0.00000 0.00000 0.00000 224 12PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY -0.00000 -0.00000 0.00000 0.00000 0.00000 227 13PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 228 14PX -0.00000 -0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 0.00002 0.00000 0.00000 0.00000 230 14PZ -0.00001 0.00003 0.00000 0.00000 0.00000 231 15PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 232 15PY 0.00003 0.00023 0.00000 -0.00000 0.00000 233 15PZ -0.00011 0.00027 -0.00000 -0.00000 0.00000 234 16PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 235 16PY 0.00015 0.00087 0.00000 0.00000 -0.00000 236 16PZ -0.00032 0.00050 -0.00000 -0.00000 0.00000 237 17D 0 -0.00000 -0.00000 0.00000 0.00000 0.00000 238 17D+1 0.00000 -0.00000 0.00000 0.00000 0.00000 239 17D-1 -0.00000 -0.00000 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00000 0.00000 0.00000 241 17D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 -0.00000 0.00000 0.00000 0.00000 243 18D+1 0.00000 -0.00000 0.00000 0.00000 0.00000 244 18D-1 -0.00000 -0.00000 0.00000 0.00000 0.00000 245 18D+2 0.00000 0.00000 0.00000 0.00000 0.00000 246 18D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 248 19D+1 -0.00000 -0.00000 0.00000 0.00000 0.00000 249 19D-1 -0.00000 -0.00000 0.00000 0.00000 0.00000 250 19D+2 0.00000 0.00000 0.00000 0.00000 0.00000 251 19D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 252 20D 0 -0.00001 0.00002 0.00000 -0.00000 0.00000 253 20D+1 -0.00000 -0.00000 -0.00000 0.00000 0.00000 254 20D-1 0.00001 0.00003 -0.00000 0.00000 -0.00000 255 20D+2 0.00000 0.00000 0.00000 0.00000 -0.00000 256 20D-2 0.00000 -0.00000 0.00000 -0.00000 0.00000 257 10 H 1S -0.00008 -0.00063 0.00000 -0.00000 0.00000 258 2S -0.00051 -0.00227 0.00000 -0.00000 0.00000 259 3S 0.00128 -0.00327 0.00000 -0.00000 0.00000 260 4PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 261 4PY -0.00002 -0.00007 0.00000 -0.00000 0.00000 262 4PZ -0.00002 -0.00000 -0.00000 0.00000 0.00000 263 11 H 1S 0.00100 0.00001 -0.00000 0.00000 0.00000 264 2S 0.00416 0.00017 -0.00000 0.00000 0.00000 265 3S 0.00313 0.00073 -0.00000 0.00000 0.00000 266 4PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 267 4PY 0.00009 -0.00000 0.00000 -0.00000 -0.00000 268 4PZ 0.00001 0.00002 -0.00000 -0.00000 -0.00000 269 12 H 1S -0.00044 0.00075 0.00000 0.00000 0.00000 270 2S -0.00183 0.00181 0.00004 0.00000 0.00002 271 3S -0.00014 0.00093 0.00003 0.00000 -0.00001 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00002 -0.00001 -0.00000 -0.00000 0.00000 274 4PZ -0.00005 -0.00000 0.00000 0.00000 0.00000 275 13 H 1S -0.00000 0.00046 0.00004 -0.00000 0.00069 276 2S -0.00033 0.00194 0.00004 -0.00000 0.00066 277 3S -0.00079 0.00141 0.00000 -0.00000 0.00005 278 4PX 0.00000 0.00000 -0.00000 -0.00001 -0.00000 279 4PY -0.00001 0.00001 -0.00001 -0.00000 0.00008 280 4PZ -0.00001 -0.00003 -0.00003 -0.00000 -0.00000 21 22 23 24 25 21 6D+2 0.00032 22 6D-2 0.00000 0.00013 23 7D 0 0.00000 0.00000 0.00105 24 7D+1 0.00000 -0.00000 0.00000 0.00158 25 7D-1 -0.00000 0.00000 -0.00000 0.00000 0.00180 26 7D+2 0.00004 -0.00000 -0.00000 0.00000 -0.00000 27 7D-2 -0.00000 0.00013 0.00000 -0.00000 0.00000 28 2 C 1S -0.00001 -0.00000 -0.00002 0.00000 -0.00070 29 2S -0.00001 -0.00000 -0.00002 0.00000 -0.00086 30 2PX 0.00000 0.00006 0.00000 0.00057 0.00000 31 2PY 0.00011 0.00000 0.00015 0.00000 0.00070 32 2PZ 0.00013 0.00000 0.00082 0.00000 0.00002 33 3S 0.00038 0.00000 0.00004 -0.00000 0.00196 34 3PX 0.00000 0.00044 0.00000 0.00214 0.00000 35 3PY 0.00021 0.00000 0.00062 0.00000 0.00136 36 3PZ 0.00042 -0.00000 0.00264 0.00000 0.00028 37 4S 0.00005 0.00000 0.00003 -0.00000 0.00008 38 4PX 0.00000 0.00022 0.00000 0.00163 0.00000 39 4PY -0.00002 0.00000 0.00034 -0.00000 0.00002 40 4PZ 0.00005 -0.00000 0.00130 -0.00000 0.00051 41 5S -0.00000 0.00000 0.00001 -0.00000 0.00000 42 5PX -0.00000 0.00000 -0.00000 0.00007 0.00000 43 5PY -0.00000 0.00000 0.00002 -0.00000 -0.00002 44 5PZ -0.00000 -0.00000 -0.00003 -0.00000 -0.00008 45 6D 0 -0.00000 0.00000 -0.00003 -0.00000 -0.00001 46 6D+1 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 47 6D-1 0.00001 0.00000 -0.00003 -0.00000 -0.00001 48 6D+2 0.00002 0.00000 -0.00003 -0.00000 0.00000 49 6D-2 0.00000 0.00000 -0.00000 -0.00004 0.00000 50 7D 0 -0.00002 0.00000 -0.00005 0.00000 -0.00006 51 7D+1 -0.00000 0.00002 -0.00000 -0.00000 -0.00000 52 7D-1 -0.00000 -0.00000 -0.00005 -0.00000 -0.00002 53 7D+2 0.00000 0.00000 -0.00011 -0.00000 0.00002 54 7D-2 -0.00000 0.00000 -0.00000 -0.00032 -0.00000 55 3 C 1S -0.00000 0.00000 -0.00002 0.00000 -0.00000 56 2S 0.00000 -0.00000 -0.00002 0.00000 -0.00000 57 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 58 2PY 0.00000 -0.00000 0.00008 -0.00000 0.00000 59 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 60 3S 0.00000 -0.00000 0.00031 -0.00000 0.00000 61 3PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 62 3PY 0.00001 -0.00000 0.00049 -0.00000 0.00000 63 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00007 64 4S 0.00001 0.00000 0.00013 -0.00000 -0.00000 65 4PX 0.00000 0.00004 0.00000 -0.00000 0.00000 66 4PY 0.00002 -0.00000 0.00020 -0.00000 0.00000 67 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00021 68 5S 0.00002 0.00000 0.00029 -0.00000 0.00000 69 5PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 70 5PY -0.00000 -0.00000 0.00002 0.00000 -0.00000 71 5PZ -0.00000 0.00000 -0.00000 0.00000 0.00032 72 6D 0 0.00000 0.00000 0.00000 -0.00000 0.00000 73 6D+1 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 74 6D-1 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 75 6D+2 0.00000 0.00000 0.00001 -0.00000 0.00000 76 6D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 77 7D 0 0.00001 0.00000 0.00006 -0.00000 -0.00000 78 7D+1 -0.00000 -0.00000 -0.00000 0.00003 -0.00000 79 7D-1 0.00000 -0.00000 0.00000 0.00000 0.00009 80 7D+2 0.00001 -0.00000 0.00001 -0.00000 0.00000 81 7D-2 0.00000 0.00001 0.00000 0.00000 0.00000 82 4 C 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 83 2S -0.00000 0.00000 0.00000 0.00000 0.00000 84 2PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 85 2PY 0.00000 0.00000 0.00000 -0.00000 -0.00001 86 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00001 87 3S -0.00000 0.00000 -0.00001 0.00000 -0.00015 88 3PX -0.00000 -0.00000 -0.00000 0.00001 -0.00000 89 3PY 0.00000 0.00000 0.00000 -0.00000 -0.00009 90 3PZ -0.00000 -0.00000 -0.00004 0.00000 0.00005 91 4S 0.00000 -0.00000 -0.00002 0.00000 -0.00010 92 4PX -0.00000 -0.00000 0.00000 0.00003 -0.00000 93 4PY 0.00000 0.00000 -0.00000 0.00000 -0.00016 94 4PZ -0.00000 -0.00000 -0.00003 -0.00000 0.00007 95 5S -0.00002 -0.00000 -0.00004 0.00000 0.00005 96 5PX -0.00000 -0.00000 -0.00000 0.00005 0.00000 97 5PY 0.00000 -0.00000 -0.00008 -0.00000 0.00007 98 5PZ -0.00000 0.00000 -0.00033 0.00000 0.00016 99 6D 0 0.00000 0.00000 0.00000 0.00000 -0.00000 100 6D+1 -0.00000 0.00000 0.00000 -0.00000 -0.00000 101 6D-1 0.00000 -0.00000 0.00000 0.00000 0.00000 102 6D+2 0.00000 0.00000 0.00000 -0.00000 -0.00000 103 6D-2 0.00000 -0.00000 0.00000 0.00000 -0.00000 104 7D 0 -0.00000 0.00000 0.00004 0.00000 -0.00004 105 7D+1 -0.00000 0.00000 0.00000 -0.00002 -0.00000 106 7D-1 0.00000 -0.00000 -0.00002 -0.00000 -0.00005 107 7D+2 0.00000 -0.00000 0.00001 -0.00000 -0.00001 108 7D-2 0.00000 -0.00000 0.00000 0.00005 -0.00000 109 5 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00004 110 2S 0.00000 0.00000 0.00001 0.00000 -0.00005 111 2PX 0.00000 -0.00000 0.00000 0.00005 0.00000 112 2PY 0.00000 0.00000 0.00002 0.00000 0.00006 113 2PZ 0.00000 0.00000 0.00008 -0.00000 -0.00006 114 3S -0.00000 0.00000 -0.00025 -0.00000 0.00109 115 3PX 0.00000 -0.00000 -0.00000 0.00052 0.00000 116 3PY 0.00000 0.00000 0.00017 0.00000 0.00034 117 3PZ 0.00000 -0.00000 0.00050 -0.00000 -0.00044 118 4S -0.00000 -0.00000 -0.00049 -0.00000 0.00164 119 4PX 0.00000 -0.00001 -0.00000 0.00140 0.00000 120 4PY -0.00000 -0.00000 0.00022 0.00000 0.00002 121 4PZ -0.00000 -0.00000 0.00026 -0.00000 -0.00091 122 5S 0.00000 -0.00000 0.00049 0.00000 -0.00052 123 5PX 0.00000 -0.00000 0.00000 -0.00005 -0.00000 124 5PY 0.00000 -0.00000 -0.00005 -0.00000 -0.00018 125 5PZ 0.00000 -0.00000 0.00006 0.00000 -0.00000 126 6D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 127 6D+1 0.00000 0.00000 -0.00000 0.00000 -0.00000 128 6D-1 -0.00000 0.00000 0.00001 -0.00000 0.00001 129 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 130 6D-2 0.00000 0.00000 -0.00000 0.00000 -0.00000 131 7D 0 -0.00000 -0.00000 0.00000 0.00000 0.00026 132 7D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 -0.00000 -0.00000 0.00002 -0.00000 0.00003 134 7D+2 0.00000 -0.00000 0.00003 0.00000 0.00001 135 7D-2 0.00000 0.00000 0.00000 0.00010 0.00000 136 6 C 1S 0.00000 0.00000 -0.00109 -0.00000 0.00000 137 2S 0.00000 0.00000 -0.00145 -0.00000 0.00000 138 2PX 0.00000 0.00000 -0.00000 0.00154 0.00000 139 2PY 0.00000 0.00000 -0.00000 0.00000 0.00164 140 2PZ -0.00000 -0.00000 0.00022 -0.00000 -0.00000 141 3S -0.00000 -0.00000 0.00489 0.00000 -0.00000 142 3PX 0.00000 0.00000 0.00000 0.00583 0.00000 143 3PY 0.00000 0.00000 -0.00000 0.00000 0.00554 144 3PZ -0.00000 -0.00000 0.00030 -0.00000 -0.00000 145 4S -0.00000 -0.00000 0.00087 0.00000 -0.00000 146 4PX 0.00000 0.00000 0.00000 0.00440 0.00000 147 4PY 0.00000 0.00000 -0.00000 0.00000 0.00225 148 4PZ -0.00000 -0.00000 0.00001 -0.00000 0.00000 149 5S -0.00000 0.00000 0.00012 0.00000 -0.00000 150 5PX 0.00000 -0.00000 -0.00000 0.00034 0.00000 151 5PY 0.00000 -0.00000 0.00000 0.00000 0.00011 152 5PZ -0.00000 -0.00000 -0.00021 0.00000 0.00000 153 6D 0 -0.00000 -0.00000 0.00000 -0.00000 0.00000 154 6D+1 -0.00000 0.00000 -0.00000 -0.00002 -0.00000 155 6D-1 0.00000 -0.00000 0.00000 -0.00000 -0.00017 156 6D+2 0.00000 -0.00000 0.00000 -0.00000 0.00000 157 6D-2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 158 7D 0 0.00000 0.00000 0.00007 -0.00000 0.00000 159 7D+1 -0.00000 0.00000 -0.00000 -0.00024 -0.00000 160 7D-1 0.00000 -0.00000 -0.00000 -0.00000 -0.00063 161 7D+2 0.00001 -0.00000 0.00000 -0.00000 0.00000 162 7D-2 0.00000 -0.00001 0.00000 -0.00000 -0.00000 163 7 H 1S 0.00000 0.00000 0.00009 0.00000 0.00047 164 2S 0.00000 0.00000 0.00028 0.00000 0.00174 165 3S 0.00000 0.00000 0.00002 0.00000 0.00072 166 4PX 0.00000 -0.00000 0.00000 0.00005 0.00000 167 4PY -0.00000 0.00000 0.00003 -0.00000 0.00002 168 4PZ -0.00000 0.00000 0.00002 -0.00000 0.00008 169 8 Mg 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 170 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 171 3S 0.00000 0.00000 -0.00000 -0.00000 0.00000 172 4S 0.00000 0.00000 -0.00000 -0.00000 0.00000 173 5S -0.00000 0.00000 -0.00008 -0.00000 0.00004 174 6S -0.00000 0.00000 -0.00009 -0.00000 0.00001 175 7S 0.00000 0.00000 0.00000 0.00000 -0.00000 176 7PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 177 7PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 178 7PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 179 8PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 180 8PY 0.00000 0.00000 0.00000 0.00000 -0.00000 181 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 182 9PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 183 9PY 0.00000 0.00000 0.00000 0.00000 -0.00000 184 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 185 10PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 186 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 187 10PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 188 11PX 0.00000 -0.00000 -0.00000 0.00002 0.00000 189 11PY -0.00000 0.00000 0.00000 0.00000 0.00000 190 11PZ -0.00000 -0.00000 -0.00004 -0.00000 0.00001 191 12PX 0.00000 0.00000 0.00000 0.00002 0.00000 192 12PY -0.00000 0.00000 -0.00000 0.00000 0.00001 193 12PZ 0.00000 0.00000 -0.00011 -0.00000 0.00011 194 13D 0 0.00000 -0.00000 -0.00000 -0.00000 0.00000 195 13D+1 0.00000 -0.00000 -0.00000 0.00000 0.00000 196 13D-1 0.00000 -0.00000 -0.00000 0.00000 0.00000 197 13D+2 0.00000 -0.00000 -0.00000 0.00000 0.00000 198 13D-2 0.00000 0.00000 -0.00000 0.00000 0.00000 199 14D 0 -0.00000 0.00000 -0.00007 -0.00000 0.00004 200 14D+1 0.00000 -0.00000 -0.00000 0.00005 0.00000 201 14D-1 -0.00000 0.00000 -0.00002 0.00000 0.00000 202 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000 203 14D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 205 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 206 3S 0.00000 0.00000 -0.00000 0.00000 -0.00000 207 4S 0.00000 0.00000 -0.00000 0.00000 -0.00000 208 5S 0.00000 0.00000 0.00000 -0.00000 0.00000 209 6S 0.00000 0.00000 0.00000 -0.00000 0.00000 210 7S 0.00000 0.00000 -0.00000 0.00000 -0.00000 211 8S 0.00000 -0.00000 0.00000 0.00000 -0.00000 212 9S 0.00000 -0.00000 -0.00001 -0.00000 0.00000 213 9PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 214 9PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 215 9PZ 0.00000 -0.00000 -0.00001 -0.00000 0.00000 216 10PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 -0.00000 218 10PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 219 11PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 220 11PY 0.00000 0.00000 0.00000 0.00000 -0.00000 221 11PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 224 12PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 227 13PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 228 14PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 229 14PY 0.00000 0.00000 0.00000 0.00000 -0.00000 230 14PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 231 15PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 232 15PY -0.00000 0.00000 0.00000 0.00000 -0.00000 233 15PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 234 16PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 235 16PY 0.00000 -0.00000 0.00000 0.00000 0.00000 236 16PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 237 17D 0 0.00000 0.00000 -0.00000 -0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 -0.00000 0.00000 239 17D-1 0.00000 0.00000 -0.00000 -0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00000 0.00000 -0.00000 241 17D-2 0.00000 0.00000 0.00000 -0.00000 -0.00000 242 18D 0 0.00000 0.00000 -0.00000 -0.00000 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00000 -0.00000 -0.00000 0.00000 245 18D+2 0.00000 0.00000 0.00000 0.00000 -0.00000 246 18D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 247 19D 0 0.00000 0.00000 -0.00000 -0.00000 0.00000 248 19D+1 0.00000 0.00000 -0.00000 -0.00000 0.00000 249 19D-1 0.00000 0.00000 -0.00000 -0.00000 -0.00000 250 19D+2 0.00000 0.00000 0.00000 -0.00000 -0.00000 251 19D-2 0.00000 0.00000 -0.00000 0.00000 0.00000 252 20D 0 -0.00000 0.00000 -0.00000 0.00000 -0.00000 253 20D+1 0.00000 -0.00000 -0.00000 0.00000 0.00000 254 20D-1 -0.00000 0.00000 0.00000 0.00000 -0.00000 255 20D+2 -0.00000 -0.00000 0.00000 0.00000 -0.00000 256 20D-2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 257 10 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 258 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 259 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00001 260 4PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 261 4PY 0.00000 0.00000 0.00000 0.00000 -0.00000 262 4PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 263 11 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 264 2S -0.00000 0.00000 -0.00000 0.00000 0.00001 265 3S 0.00000 0.00000 -0.00002 0.00000 0.00003 266 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 267 4PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 268 4PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 269 12 H 1S -0.00000 -0.00000 0.00025 0.00000 0.00016 270 2S -0.00002 -0.00000 0.00094 0.00000 0.00056 271 3S -0.00001 -0.00000 0.00030 0.00000 0.00005 272 4PX 0.00000 0.00000 0.00000 0.00003 -0.00000 273 4PY 0.00000 0.00000 0.00001 -0.00000 0.00002 274 4PZ -0.00000 -0.00000 0.00004 0.00000 0.00006 275 13 H 1S 0.00035 -0.00000 0.00005 -0.00000 0.00034 276 2S 0.00031 -0.00000 0.00007 -0.00000 0.00045 277 3S 0.00001 -0.00000 0.00001 -0.00000 0.00017 278 4PX -0.00000 -0.00003 -0.00000 -0.00003 -0.00000 279 4PY 0.00004 -0.00000 -0.00001 0.00000 -0.00001 280 4PZ 0.00002 -0.00000 -0.00001 -0.00000 -0.00003 26 27 28 29 30 26 7D+2 0.00033 27 7D-2 -0.00000 0.00072 28 2 C 1S -0.00034 -0.00000 0.65854 29 2S -0.00049 -0.00000 0.49212 0.48960 30 2PX 0.00000 0.00103 0.00000 0.00000 0.06693 31 2PY -0.00011 -0.00000 0.00000 0.00000 0.00000 32 2PZ 0.00034 -0.00000 0.00000 0.00000 0.00000 33 3S 0.00209 0.00000 -0.02590 -0.05921 0.00000 34 3PX 0.00000 0.00392 0.00000 0.00000 0.06474 35 3PY 0.00002 -0.00000 0.00000 0.00000 0.00000 36 3PZ 0.00087 0.00000 0.00000 0.00000 0.00000 37 4S 0.00040 0.00000 -0.00863 -0.01529 0.00000 38 4PX 0.00000 0.00273 0.00000 0.00000 0.01807 39 4PY 0.00022 -0.00000 0.00000 0.00000 0.00000 40 4PZ 0.00015 -0.00000 0.00000 0.00000 0.00000 41 5S 0.00003 0.00000 -0.00124 -0.00231 0.00000 42 5PX 0.00000 0.00009 0.00000 0.00000 0.00065 43 5PY -0.00003 -0.00000 0.00000 0.00000 0.00000 44 5PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 45 6D 0 -0.00001 0.00000 -0.00000 -0.00000 0.00000 46 6D+1 -0.00000 0.00003 0.00000 0.00000 0.00000 47 6D-1 -0.00001 -0.00000 0.00000 0.00000 0.00000 48 6D+2 0.00000 0.00000 -0.00000 -0.00000 0.00000 49 6D-2 -0.00000 -0.00002 0.00000 0.00000 0.00000 50 7D 0 -0.00002 0.00000 0.00000 0.00000 0.00000 51 7D+1 -0.00000 0.00008 -0.00000 0.00000 0.00000 52 7D-1 0.00001 -0.00000 0.00000 0.00000 0.00000 53 7D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 54 7D-2 -0.00000 -0.00008 -0.00000 -0.00000 0.00000 55 3 C 1S -0.00001 -0.00000 0.00000 0.00000 0.00000 56 2S -0.00002 -0.00000 0.00000 -0.00000 0.00000 57 2PX 0.00000 0.00005 0.00000 0.00000 0.00019 58 2PY 0.00015 -0.00000 -0.00004 -0.00003 0.00000 59 2PZ 0.00000 0.00000 -0.00001 -0.00001 0.00000 60 3S 0.00039 0.00000 -0.00036 -0.00062 0.00000 61 3PX 0.00000 0.00051 0.00000 0.00000 0.00330 62 3PY 0.00090 -0.00000 -0.00131 -0.00232 0.00000 63 3PZ 0.00000 0.00000 -0.00046 -0.00080 0.00000 64 4S 0.00030 0.00000 -0.00038 -0.00087 -0.00000 65 4PX 0.00000 0.00123 0.00000 0.00000 0.00457 66 4PY 0.00046 -0.00000 -0.00088 -0.00190 0.00000 67 4PZ 0.00000 0.00000 -0.00064 -0.00094 0.00000 68 5S 0.00002 0.00000 0.00021 0.00037 0.00000 69 5PX -0.00000 0.00014 0.00000 -0.00000 0.00042 70 5PY 0.00001 -0.00000 0.00035 0.00053 0.00000 71 5PZ -0.00000 0.00000 0.00018 0.00030 0.00000 72 6D 0 0.00000 -0.00000 -0.00000 -0.00000 0.00000 73 6D+1 -0.00000 0.00000 0.00000 0.00000 0.00002 74 6D-1 0.00000 0.00000 -0.00001 -0.00002 0.00000 75 6D+2 0.00001 0.00000 -0.00001 -0.00001 0.00000 76 6D-2 0.00000 0.00001 0.00000 0.00000 0.00006 77 7D 0 0.00001 -0.00000 -0.00002 -0.00002 0.00000 78 7D+1 -0.00000 -0.00000 0.00000 0.00000 0.00057 79 7D-1 -0.00000 0.00000 -0.00070 -0.00086 0.00000 80 7D+2 0.00003 -0.00000 -0.00034 -0.00049 0.00000 81 7D-2 0.00000 0.00012 0.00000 0.00000 0.00103 82 4 C 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 83 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 84 2PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 85 2PY 0.00001 -0.00000 0.00000 -0.00000 -0.00000 86 2PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 87 3S 0.00001 0.00000 0.00000 0.00000 -0.00000 88 3PX -0.00000 0.00002 0.00000 0.00000 -0.00000 89 3PY 0.00007 -0.00000 0.00000 0.00000 -0.00000 90 3PZ -0.00002 -0.00000 0.00000 0.00000 -0.00000 91 4S -0.00001 0.00000 0.00001 0.00003 -0.00000 92 4PX -0.00000 0.00007 -0.00000 0.00000 -0.00013 93 4PY 0.00006 0.00000 0.00001 0.00003 -0.00000 94 4PZ -0.00004 -0.00000 -0.00002 0.00005 0.00000 95 5S 0.00001 -0.00000 -0.00088 -0.00106 -0.00000 96 5PX 0.00000 -0.00004 0.00000 0.00000 -0.00021 97 5PY -0.00001 -0.00000 -0.00035 -0.00048 -0.00000 98 5PZ -0.00001 -0.00000 0.00023 0.00037 0.00000 99 6D 0 0.00000 0.00000 0.00000 -0.00000 -0.00000 100 6D+1 -0.00000 0.00000 0.00000 -0.00000 0.00000 101 6D-1 0.00000 -0.00000 -0.00000 0.00000 0.00000 102 6D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 103 6D-2 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 104 7D 0 0.00000 0.00000 -0.00000 -0.00000 -0.00000 105 7D+1 -0.00000 0.00005 0.00000 0.00000 0.00006 106 7D-1 0.00004 -0.00000 -0.00003 -0.00003 0.00000 107 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 108 7D-2 0.00000 -0.00003 -0.00000 -0.00000 -0.00001 109 5 C 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 110 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 111 2PX 0.00000 -0.00001 0.00000 -0.00000 -0.00000 112 2PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 113 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 114 3S 0.00003 0.00000 0.00000 0.00000 -0.00000 115 3PX 0.00000 -0.00011 0.00000 0.00000 -0.00000 116 3PY 0.00000 0.00000 0.00000 0.00000 -0.00000 117 3PZ 0.00001 0.00000 0.00000 0.00000 0.00000 118 4S 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 119 4PX 0.00000 -0.00034 0.00000 0.00000 -0.00018 120 4PY 0.00002 -0.00000 0.00000 0.00000 -0.00000 121 4PZ -0.00003 -0.00000 0.00005 0.00008 0.00000 122 5S -0.00003 0.00000 0.00137 0.00183 0.00000 123 5PX -0.00000 -0.00003 0.00000 0.00000 -0.00011 124 5PY 0.00002 -0.00000 0.00000 0.00000 -0.00000 125 5PZ -0.00001 0.00000 0.00064 0.00076 0.00000 126 6D 0 -0.00000 0.00000 0.00000 -0.00000 -0.00000 127 6D+1 0.00000 -0.00000 0.00000 -0.00000 -0.00000 128 6D-1 -0.00000 0.00000 0.00000 -0.00000 -0.00000 129 6D+2 0.00000 0.00000 0.00000 -0.00000 -0.00000 130 6D-2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 131 7D 0 -0.00001 -0.00000 0.00000 0.00000 -0.00000 132 7D+1 -0.00000 0.00002 0.00000 0.00000 0.00000 133 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 134 7D+2 0.00000 -0.00000 0.00000 -0.00000 0.00000 135 7D-2 0.00000 -0.00001 -0.00000 -0.00000 0.00000 136 6 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 -0.00001 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 4S 0.00000 -0.00000 0.00001 0.00003 -0.00000 146 4PX 0.00000 -0.00001 -0.00000 0.00000 -0.00013 147 4PY -0.00000 0.00000 0.00001 0.00003 0.00000 148 4PZ -0.00000 -0.00000 -0.00002 0.00005 -0.00000 149 5S 0.00000 0.00000 -0.00088 -0.00106 -0.00000 150 5PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00021 151 5PY 0.00000 0.00000 -0.00035 -0.00048 -0.00000 152 5PZ -0.00000 -0.00000 0.00023 0.00037 0.00000 153 6D 0 -0.00000 0.00000 0.00000 -0.00000 -0.00000 154 6D+1 -0.00000 0.00000 -0.00000 0.00000 0.00000 155 6D-1 0.00000 -0.00000 -0.00000 0.00000 0.00000 156 6D+2 0.00001 -0.00000 -0.00000 0.00000 0.00000 157 6D-2 0.00000 -0.00001 -0.00000 0.00000 -0.00000 158 7D 0 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 159 7D+1 -0.00000 0.00000 -0.00000 -0.00000 0.00006 160 7D-1 0.00000 -0.00000 -0.00003 -0.00003 0.00000 161 7D+2 0.00004 0.00000 0.00000 0.00000 0.00000 162 7D-2 -0.00000 -0.00009 -0.00000 -0.00000 -0.00001 163 7 H 1S 0.00003 0.00000 -0.00000 0.00000 0.00000 164 2S 0.00011 0.00000 -0.00000 -0.00000 0.00000 165 3S 0.00004 0.00000 -0.00001 -0.00002 0.00000 166 4PX 0.00000 0.00001 -0.00000 0.00000 -0.00000 167 4PY -0.00000 0.00000 -0.00000 0.00000 0.00000 168 4PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 169 8 Mg 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 170 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 171 3S 0.00000 0.00000 0.00000 0.00000 0.00000 172 4S 0.00000 0.00000 0.00000 -0.00000 -0.00000 173 5S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 174 6S -0.00000 0.00000 0.00002 0.00002 -0.00000 175 7S 0.00000 0.00000 -0.00000 -0.00001 0.00000 176 7PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 177 7PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 178 7PZ 0.00000 0.00000 -0.00000 -0.00001 -0.00000 179 8PX -0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY -0.00000 0.00000 0.00000 0.00000 0.00000 181 8PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 182 9PX -0.00000 0.00000 0.00000 -0.00000 0.00000 183 9PY -0.00000 0.00000 0.00000 -0.00000 0.00000 184 9PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 185 10PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 186 10PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 187 10PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 188 11PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 189 11PY -0.00000 0.00000 0.00000 0.00000 -0.00000 190 11PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 191 12PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 192 12PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 193 12PZ 0.00000 -0.00000 -0.00002 -0.00003 0.00000 194 13D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 195 13D+1 0.00000 -0.00000 0.00000 0.00000 -0.00000 196 13D-1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 197 13D+2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 198 13D-2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 199 14D 0 -0.00000 -0.00000 0.00000 0.00000 0.00000 200 14D+1 0.00000 -0.00001 0.00000 0.00000 -0.00000 201 14D-1 -0.00000 0.00000 0.00000 0.00000 -0.00000 202 14D+2 0.00000 0.00000 -0.00000 0.00000 -0.00000 203 14D-2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 204 9 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 205 2S 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S -0.00000 -0.00000 0.00000 0.00000 0.00000 207 4S -0.00000 -0.00000 0.00000 0.00000 0.00000 208 5S 0.00000 0.00000 0.00000 0.00000 0.00000 209 6S 0.00000 0.00000 0.00000 0.00000 0.00000 210 7S -0.00000 -0.00000 0.00000 -0.00000 0.00000 211 8S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 212 9S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 213 9PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 214 9PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 215 9PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 216 10PX -0.00000 -0.00000 0.00000 0.00000 0.00000 217 10PY -0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 219 11PX -0.00000 -0.00000 0.00000 0.00000 0.00000 220 11PY -0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 -0.00000 0.00000 0.00000 0.00000 224 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 -0.00000 0.00000 0.00000 0.00000 227 13PZ 0.00000 0.00000 0.00000 0.00000 0.00000 228 14PX -0.00000 -0.00000 0.00000 0.00000 0.00000 229 14PY -0.00000 0.00000 0.00000 0.00000 0.00000 230 14PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 231 15PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 232 15PY 0.00000 0.00000 0.00000 -0.00000 0.00000 233 15PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 234 16PX -0.00000 -0.00000 0.00000 0.00000 0.00000 235 16PY 0.00000 -0.00000 0.00000 0.00000 0.00000 236 16PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 237 17D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 238 17D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 -0.00000 0.00000 0.00000 0.00000 240 17D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 241 17D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 0.00000 0.00000 0.00000 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 -0.00000 0.00000 0.00000 0.00000 245 18D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 -0.00000 -0.00000 0.00000 0.00000 0.00000 248 19D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 -0.00000 -0.00000 0.00000 0.00000 0.00000 250 19D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 251 19D-2 -0.00000 -0.00000 0.00000 0.00000 0.00000 252 20D 0 -0.00000 -0.00000 0.00000 0.00000 0.00000 253 20D+1 0.00000 -0.00000 0.00000 0.00000 -0.00000 254 20D-1 0.00000 -0.00000 0.00000 0.00000 -0.00000 255 20D+2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 256 20D-2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 257 10 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 258 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 259 3S 0.00001 -0.00000 -0.00001 -0.00002 0.00000 260 4PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 261 4PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 262 4PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 263 11 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 264 2S -0.00002 0.00000 0.00001 0.00002 -0.00000 265 3S -0.00005 0.00000 0.00015 0.00022 -0.00000 266 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 267 4PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 268 4PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 269 12 H 1S -0.00002 -0.00000 -0.00025 -0.00035 0.00000 270 2S -0.00010 -0.00000 -0.00241 -0.00422 0.00000 271 3S -0.00007 -0.00000 0.00015 0.00027 0.00000 272 4PX 0.00000 0.00002 -0.00000 -0.00000 0.00054 273 4PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 274 4PZ 0.00000 -0.00000 -0.00057 -0.00093 0.00000 275 13 H 1S -0.00019 -0.00000 0.00000 0.00000 -0.00000 276 2S -0.00026 -0.00000 0.00001 0.00002 -0.00000 277 3S 0.00002 -0.00000 0.00015 0.00022 -0.00000 278 4PX -0.00000 -0.00009 -0.00000 -0.00000 0.00000 279 4PY 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 280 4PZ -0.00002 -0.00000 -0.00000 -0.00000 0.00000 31 32 33 34 35 31 2PY 0.09301 32 2PZ 0.00000 0.09039 33 3S 0.00000 0.00000 0.43545 34 3PX 0.00000 0.00000 0.00000 0.15823 35 3PY 0.08214 0.00000 0.00000 0.00000 0.18336 36 3PZ 0.00000 0.07749 0.00000 0.00000 0.00000 37 4S 0.00000 0.00000 0.15573 0.00000 0.00000 38 4PX 0.00000 0.00000 0.00000 0.08237 0.00000 39 4PY 0.01423 0.00000 0.00000 0.00000 0.05928 40 4PZ 0.00000 0.01368 0.00000 0.00000 0.00000 41 5S 0.00000 0.00000 0.03378 0.00000 0.00000 42 5PX 0.00000 0.00000 0.00000 0.00394 0.00000 43 5PY 0.00032 -0.00000 0.00000 0.00000 0.00168 44 5PZ -0.00000 -0.00009 0.00000 0.00000 -0.00000 45 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 46 6D+1 0.00000 0.00000 -0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00000 -0.00000 0.00000 0.00000 48 6D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 49 6D-2 0.00000 0.00000 -0.00000 0.00000 0.00000 50 7D 0 0.00000 0.00000 -0.00000 0.00000 0.00000 51 7D+1 0.00000 0.00000 -0.00000 0.00000 0.00000 52 7D-1 0.00000 0.00000 -0.00000 0.00000 0.00000 53 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S -0.00004 -0.00001 -0.00037 -0.00000 -0.00134 56 2S -0.00003 -0.00001 -0.00062 0.00000 -0.00234 57 2PX 0.00000 0.00000 0.00000 0.00330 0.00000 58 2PY 0.00152 0.00061 0.00600 0.00000 0.01004 59 2PZ 0.00066 0.00011 0.00201 0.00000 0.00510 60 3S 0.00595 0.00204 0.01467 0.00000 0.03169 61 3PX 0.00000 0.00000 0.00000 0.01951 0.00000 62 3PY 0.00997 0.00481 0.03188 0.00000 0.02883 63 3PZ 0.00515 0.00030 0.01070 0.00000 0.01821 64 4S 0.00241 0.00097 0.01327 -0.00000 0.01151 65 4PX 0.00000 0.00000 0.00000 0.02419 0.00000 66 4PY 0.00112 0.00136 0.02409 0.00000 0.00226 67 4PZ 0.00156 -0.00076 0.00686 0.00000 0.00632 68 5S -0.00033 0.00079 -0.00567 0.00000 -0.00182 69 5PX 0.00000 0.00000 0.00000 0.00256 0.00000 70 5PY 0.00019 0.00000 -0.00528 0.00000 0.00111 71 5PZ 0.00000 0.00049 -0.00345 0.00000 0.00003 72 6D 0 0.00000 0.00007 0.00004 0.00000 -0.00000 73 6D+1 -0.00000 0.00000 -0.00000 0.00012 -0.00000 74 6D-1 0.00038 0.00003 0.00068 0.00000 0.00103 75 6D+2 0.00011 0.00013 0.00038 0.00000 0.00021 76 6D-2 -0.00000 0.00000 -0.00000 0.00044 -0.00000 77 7D 0 0.00015 0.00082 0.00004 0.00000 0.00062 78 7D+1 0.00000 0.00000 -0.00000 0.00214 0.00000 79 7D-1 0.00070 0.00002 0.00196 0.00000 0.00136 80 7D+2 -0.00011 0.00034 0.00209 0.00000 0.00002 81 7D-2 0.00000 0.00000 -0.00000 0.00392 0.00000 82 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 84 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 85 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 86 2PZ -0.00000 -0.00000 -0.00002 -0.00000 -0.00002 87 3S -0.00001 -0.00001 -0.00018 -0.00000 -0.00020 88 3PX -0.00000 -0.00000 -0.00000 -0.00003 -0.00000 89 3PY -0.00000 -0.00001 -0.00011 -0.00000 -0.00004 90 3PZ -0.00002 -0.00004 -0.00050 -0.00000 -0.00043 91 4S -0.00006 -0.00013 -0.00096 -0.00000 -0.00039 92 4PX -0.00000 -0.00000 -0.00000 -0.00089 -0.00000 93 4PY -0.00002 -0.00001 -0.00096 -0.00000 -0.00004 94 4PZ -0.00015 -0.00046 -0.00258 0.00000 -0.00079 95 5S 0.00090 -0.00132 0.00678 -0.00000 0.00526 96 5PX -0.00000 0.00000 -0.00000 -0.00133 -0.00000 97 5PY -0.00026 -0.00001 0.00403 -0.00000 -0.00155 98 5PZ -0.00030 -0.00016 -0.00434 0.00000 -0.00163 99 6D 0 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 100 6D+1 0.00000 -0.00000 -0.00000 0.00001 0.00000 101 6D-1 0.00000 0.00000 0.00001 0.00000 0.00001 102 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 103 6D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 104 7D 0 0.00002 0.00000 0.00000 0.00000 0.00013 105 7D+1 0.00000 -0.00000 -0.00000 0.00063 0.00000 106 7D-1 0.00007 0.00012 0.00064 0.00000 0.00037 107 7D+2 -0.00000 0.00002 0.00002 0.00000 0.00000 108 7D-2 0.00000 0.00000 0.00000 -0.00013 0.00000 109 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 110 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 111 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 112 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 113 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 114 3S -0.00000 -0.00000 -0.00002 -0.00000 -0.00000 115 3PX -0.00000 0.00000 -0.00000 -0.00006 -0.00000 116 3PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 117 3PZ -0.00000 -0.00000 -0.00006 0.00000 -0.00000 118 4S -0.00000 -0.00012 -0.00020 -0.00000 -0.00000 119 4PX -0.00000 0.00000 -0.00000 -0.00150 -0.00000 120 4PY -0.00005 -0.00000 -0.00000 -0.00000 -0.00032 121 4PZ -0.00000 -0.00029 -0.00127 0.00000 -0.00000 122 5S 0.00000 0.00019 -0.01657 0.00000 0.00000 123 5PX -0.00000 0.00000 -0.00000 -0.00075 -0.00000 124 5PY -0.00082 -0.00000 -0.00000 -0.00000 -0.00483 125 5PZ -0.00000 0.00027 -0.00397 0.00000 -0.00000 126 6D 0 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 127 6D+1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 128 6D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 129 6D+2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 130 6D-2 -0.00000 0.00000 0.00000 -0.00000 -0.00000 131 7D 0 -0.00000 -0.00002 -0.00013 -0.00000 -0.00000 132 7D+1 0.00000 -0.00000 -0.00000 0.00005 0.00000 133 7D-1 -0.00000 -0.00000 -0.00000 0.00000 -0.00003 134 7D+2 -0.00000 -0.00000 0.00000 0.00000 -0.00000 135 7D-2 -0.00000 0.00000 0.00000 0.00000 -0.00000 136 6 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 -0.00002 -0.00000 -0.00002 141 3S -0.00001 -0.00001 -0.00018 -0.00000 -0.00020 142 3PX -0.00000 -0.00000 -0.00000 -0.00003 -0.00000 143 3PY -0.00000 -0.00001 -0.00011 -0.00000 -0.00004 144 3PZ -0.00002 -0.00004 -0.00050 -0.00000 -0.00043 145 4S -0.00006 -0.00013 -0.00096 -0.00000 -0.00039 146 4PX -0.00000 -0.00000 -0.00000 -0.00089 0.00000 147 4PY -0.00002 -0.00001 -0.00096 0.00000 -0.00004 148 4PZ -0.00015 -0.00046 -0.00258 -0.00000 -0.00079 149 5S 0.00090 -0.00132 0.00678 -0.00000 0.00526 150 5PX -0.00000 0.00000 0.00000 -0.00133 -0.00000 151 5PY -0.00026 -0.00001 0.00403 -0.00000 -0.00155 152 5PZ -0.00030 -0.00016 -0.00434 0.00000 -0.00163 153 6D 0 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 154 6D+1 -0.00000 -0.00000 0.00000 0.00001 -0.00000 155 6D-1 0.00000 0.00000 0.00001 0.00000 0.00001 156 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 158 7D 0 0.00002 0.00000 0.00000 -0.00000 0.00013 159 7D+1 -0.00000 -0.00000 0.00000 0.00063 -0.00000 160 7D-1 0.00007 0.00012 0.00064 0.00000 0.00037 161 7D+2 -0.00000 0.00002 0.00002 0.00000 0.00000 162 7D-2 0.00000 0.00000 0.00000 -0.00013 0.00000 163 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00001 0.00000 0.00001 165 3S 0.00006 0.00006 0.00037 0.00000 0.00045 166 4PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 167 4PY 0.00000 -0.00000 0.00000 0.00000 0.00000 168 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 169 8 Mg 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S 0.00000 0.00000 0.00000 0.00000 0.00000 171 3S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 172 4S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 173 5S -0.00000 -0.00000 0.00000 0.00000 0.00000 174 6S -0.00000 -0.00002 -0.00013 -0.00000 -0.00000 175 7S 0.00000 0.00000 0.00007 0.00000 0.00000 176 7PX 0.00000 -0.00000 0.00000 0.00002 0.00000 177 7PY -0.00000 0.00000 0.00000 0.00000 -0.00000 178 7PZ 0.00000 0.00000 0.00007 -0.00000 0.00000 179 8PX 0.00000 0.00000 -0.00000 0.00000 0.00000 180 8PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 181 8PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 182 9PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 183 9PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 184 9PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 185 10PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 186 10PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 187 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 11PX -0.00000 0.00000 -0.00000 -0.00001 -0.00000 189 11PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 190 11PZ -0.00000 -0.00000 -0.00001 0.00000 0.00000 191 12PX 0.00000 0.00000 0.00000 0.00001 0.00000 192 12PY 0.00001 0.00000 0.00000 0.00000 0.00005 193 12PZ 0.00000 0.00010 0.00052 0.00000 0.00000 194 13D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 195 13D+1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 196 13D-1 -0.00000 0.00000 0.00000 -0.00000 -0.00000 197 13D+2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 198 13D-2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 199 14D 0 0.00000 -0.00000 -0.00001 0.00000 0.00000 200 14D+1 -0.00000 0.00000 -0.00000 -0.00002 -0.00000 201 14D-1 0.00000 -0.00000 -0.00000 -0.00000 0.00001 202 14D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 203 14D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 204 9 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 205 2S 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 4S 0.00000 0.00000 0.00000 0.00000 0.00000 208 5S 0.00000 0.00000 0.00000 0.00000 0.00000 209 6S 0.00000 0.00000 0.00000 0.00000 0.00000 210 7S 0.00000 0.00000 -0.00000 0.00000 0.00000 211 8S 0.00000 0.00000 -0.00000 0.00000 0.00000 212 9S 0.00000 0.00000 0.00001 0.00000 0.00000 213 9PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 214 9PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 215 9PZ 0.00000 0.00000 0.00001 0.00000 0.00000 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00000 0.00000 0.00000 0.00000 224 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 0.00000 0.00000 0.00000 0.00000 227 13PZ 0.00000 0.00000 0.00000 0.00000 0.00000 228 14PX 0.00000 0.00000 -0.00000 0.00000 0.00000 229 14PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 230 14PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 231 15PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 232 15PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 233 15PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 234 16PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 235 16PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 236 16PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 237 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00000 0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 0.00000 0.00000 0.00000 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00000 0.00000 0.00000 0.00000 245 18D+2 0.00000 0.00000 0.00000 0.00000 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00000 0.00000 -0.00000 0.00000 248 19D+1 0.00000 0.00000 -0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00000 0.00000 0.00000 0.00000 250 19D+2 0.00000 0.00000 0.00000 0.00000 0.00000 251 19D-2 0.00000 0.00000 -0.00000 0.00000 0.00000 252 20D 0 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 253 20D+1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 254 20D-1 0.00000 -0.00000 -0.00000 -0.00000 0.00000 255 20D+2 0.00000 0.00000 -0.00000 -0.00000 0.00000 256 20D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 257 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 258 2S 0.00000 0.00000 0.00001 -0.00000 0.00001 259 3S 0.00006 0.00006 0.00037 0.00000 0.00045 260 4PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 261 4PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 262 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 263 11 H 1S -0.00000 -0.00000 -0.00006 -0.00000 -0.00020 264 2S -0.00029 -0.00000 -0.00149 -0.00000 -0.00283 265 3S -0.00097 -0.00000 -0.00254 -0.00000 -0.00550 266 4PX -0.00000 0.00000 -0.00000 0.00004 -0.00000 267 4PY 0.00000 0.00000 -0.00001 -0.00000 0.00013 268 4PZ 0.00000 -0.00000 0.00001 0.00000 0.00002 269 12 H 1S 0.00000 0.00832 0.01584 0.00000 0.00000 270 2S 0.00000 0.02040 0.04839 0.00000 0.00000 271 3S 0.00000 0.00298 -0.00387 0.00000 0.00000 272 4PX 0.00000 0.00000 0.00000 0.00240 0.00000 273 4PY 0.00039 0.00000 0.00000 0.00000 0.00157 274 4PZ 0.00000 0.00295 0.00720 0.00000 0.00000 275 13 H 1S -0.00000 -0.00000 -0.00006 -0.00000 -0.00020 276 2S -0.00029 -0.00000 -0.00149 -0.00000 -0.00283 277 3S -0.00097 -0.00000 -0.00254 -0.00000 -0.00550 278 4PX 0.00000 0.00000 0.00000 0.00004 0.00000 279 4PY 0.00000 0.00000 -0.00001 -0.00000 0.00013 280 4PZ 0.00000 -0.00000 0.00001 0.00000 0.00002 36 37 38 39 40 36 3PZ 0.16811 37 4S 0.00000 0.10657 38 4PX 0.00000 0.00000 0.10139 39 4PY 0.00000 0.00000 0.00000 0.04603 40 4PZ 0.05505 0.00000 0.00000 0.00000 0.04698 41 5S 0.00000 0.05589 0.00000 0.00000 0.00000 42 5PX 0.00000 0.00000 0.00932 0.00000 0.00000 43 5PY -0.00000 0.00000 0.00000 0.00296 -0.00000 44 5PZ -0.00053 0.00000 0.00000 -0.00000 -0.00090 45 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 46 6D+1 0.00000 -0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 48 6D+2 0.00000 -0.00000 0.00000 0.00000 0.00000 49 6D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00000 -0.00000 0.00000 0.00000 0.00000 51 7D+1 0.00000 -0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00000 -0.00000 0.00000 0.00000 0.00000 53 7D+2 0.00000 -0.00000 0.00000 0.00000 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S -0.00043 -0.00026 -0.00000 -0.00147 -0.00009 56 2S -0.00077 -0.00069 0.00000 -0.00244 -0.00045 57 2PX 0.00000 0.00000 0.00454 0.00000 0.00000 58 2PY 0.00478 0.00225 0.00000 0.00128 0.00103 59 2PZ 0.00029 0.00080 0.00000 0.00144 -0.00058 60 3S 0.01082 0.01171 0.00000 0.02247 0.00852 61 3PX 0.00000 0.00000 0.02402 0.00000 0.00000 62 3PY 0.01724 0.01076 0.00000 0.00254 0.00441 63 3PZ -0.00084 0.00386 0.00000 0.00594 -0.00318 64 4S 0.00456 0.00294 0.00000 0.00978 0.00297 65 4PX 0.00000 -0.00000 0.03780 0.00000 0.00000 66 4PY 0.00560 0.00838 0.00000 -0.00403 0.00190 67 4PZ -0.00403 0.00331 0.00000 0.00358 -0.00641 68 5S 0.00434 0.00319 -0.00000 -0.00238 0.00853 69 5PX 0.00000 0.00000 0.00652 0.00000 0.00000 70 5PY -0.00000 -0.00818 0.00000 0.00163 -0.00035 71 5PZ 0.00289 -0.00620 0.00000 -0.00006 0.00710 72 6D 0 0.00036 0.00000 0.00000 0.00000 0.00011 73 6D+1 -0.00000 -0.00000 0.00007 -0.00000 -0.00000 74 6D-1 0.00003 0.00011 0.00000 0.00005 -0.00001 75 6D+2 0.00042 0.00005 0.00000 -0.00002 0.00005 76 6D-2 0.00000 -0.00000 0.00022 -0.00000 0.00000 77 7D 0 0.00264 0.00003 0.00000 0.00034 0.00130 78 7D+1 0.00000 -0.00000 0.00163 0.00000 -0.00000 79 7D-1 0.00028 0.00008 0.00000 0.00002 0.00051 80 7D+2 0.00087 0.00040 0.00000 0.00022 0.00015 81 7D-2 0.00000 0.00000 0.00273 -0.00000 0.00000 82 4 C 1S 0.00000 -0.00000 0.00000 -0.00004 0.00000 83 2S 0.00000 0.00003 0.00000 -0.00002 0.00010 84 2PX -0.00000 -0.00000 -0.00012 -0.00000 0.00000 85 2PY -0.00001 -0.00000 -0.00000 -0.00003 -0.00002 86 2PZ -0.00004 -0.00013 0.00000 -0.00016 -0.00030 87 3S -0.00042 -0.00163 -0.00000 -0.00048 -0.00377 88 3PX -0.00000 -0.00000 -0.00079 -0.00000 0.00000 89 3PY -0.00013 -0.00007 -0.00000 -0.00007 -0.00016 90 3PZ -0.00066 -0.00091 0.00000 -0.00082 -0.00147 91 4S -0.00088 -0.00151 -0.00000 -0.00012 -0.00218 92 4PX 0.00000 0.00000 -0.00390 -0.00000 -0.00000 93 4PY -0.00017 -0.00071 -0.00000 0.00032 0.00015 94 4PZ -0.00220 0.00092 -0.00000 -0.00088 -0.00117 95 5S -0.00741 0.01015 -0.00000 0.00853 -0.01354 96 5PX 0.00000 -0.00000 -0.00415 -0.00000 0.00000 97 5PY -0.00001 0.00754 -0.00000 -0.00270 0.00100 98 5PZ -0.00071 -0.01143 0.00000 -0.00246 -0.00039 99 6D 0 0.00000 0.00000 0.00000 -0.00001 0.00000 100 6D+1 -0.00000 0.00000 0.00006 0.00000 -0.00000 101 6D-1 0.00002 0.00001 0.00000 0.00001 0.00002 102 6D+2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 103 6D-2 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 104 7D 0 0.00004 0.00046 0.00000 0.00010 0.00011 105 7D+1 -0.00000 0.00000 0.00158 0.00000 -0.00000 106 7D-1 0.00076 -0.00017 0.00000 0.00001 0.00001 107 7D+2 0.00010 -0.00006 0.00000 0.00001 0.00002 108 7D-2 0.00000 -0.00000 -0.00039 -0.00000 -0.00000 109 5 C 1S 0.00000 -0.00004 -0.00000 -0.00000 -0.00002 110 2S 0.00000 -0.00006 -0.00000 -0.00000 -0.00004 111 2PX 0.00000 -0.00000 -0.00018 -0.00000 0.00000 112 2PY -0.00000 -0.00000 -0.00000 -0.00004 -0.00000 113 2PZ -0.00000 -0.00024 0.00000 -0.00000 -0.00042 114 3S -0.00005 0.00107 0.00000 0.00000 0.00098 115 3PX 0.00000 -0.00000 -0.00150 -0.00000 0.00000 116 3PY -0.00000 -0.00000 -0.00000 -0.00026 -0.00000 117 3PZ -0.00017 -0.00195 0.00000 -0.00000 -0.00285 118 4S -0.00088 0.00474 0.00000 0.00000 0.00165 119 4PX 0.00000 -0.00000 -0.00665 -0.00000 0.00000 120 4PY -0.00000 -0.00000 -0.00000 -0.00123 -0.00000 121 4PZ -0.00191 -0.00707 0.00000 -0.00000 -0.00617 122 5S 0.00072 -0.04864 -0.00000 -0.00000 -0.01051 123 5PX 0.00000 -0.00000 -0.00170 -0.00000 -0.00000 124 5PY -0.00000 -0.00000 -0.00000 -0.00873 -0.00000 125 5PZ 0.00134 -0.00252 -0.00000 -0.00000 0.00309 126 6D 0 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 127 6D+1 0.00000 0.00000 -0.00001 -0.00000 0.00000 128 6D-1 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 129 6D+2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 130 6D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 131 7D 0 -0.00019 0.00029 -0.00000 -0.00000 0.00007 132 7D+1 -0.00000 0.00000 0.00021 0.00000 -0.00000 133 7D-1 -0.00000 0.00000 0.00000 -0.00009 -0.00000 134 7D+2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 135 7D-2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 136 6 C 1S 0.00000 -0.00000 -0.00000 -0.00004 0.00000 137 2S 0.00000 0.00003 0.00000 -0.00002 0.00010 138 2PX -0.00000 -0.00000 -0.00012 -0.00000 0.00000 139 2PY -0.00001 -0.00000 0.00000 -0.00003 -0.00002 140 2PZ -0.00004 -0.00013 -0.00000 -0.00016 -0.00030 141 3S -0.00042 -0.00163 -0.00000 -0.00048 -0.00377 142 3PX -0.00000 -0.00000 -0.00079 -0.00000 0.00000 143 3PY -0.00013 -0.00007 0.00000 -0.00007 -0.00016 144 3PZ -0.00066 -0.00091 -0.00000 -0.00082 -0.00147 145 4S -0.00088 -0.00151 -0.00000 -0.00012 -0.00218 146 4PX -0.00000 0.00000 -0.00390 0.00000 0.00000 147 4PY -0.00017 -0.00071 0.00000 0.00032 0.00015 148 4PZ -0.00220 0.00092 0.00000 -0.00088 -0.00117 149 5S -0.00741 0.01015 -0.00000 0.00853 -0.01354 150 5PX 0.00000 -0.00000 -0.00415 -0.00000 0.00000 151 5PY -0.00001 0.00754 -0.00000 -0.00270 0.00100 152 5PZ -0.00071 -0.01143 0.00000 -0.00246 -0.00039 153 6D 0 0.00000 0.00000 -0.00000 -0.00001 0.00000 154 6D+1 -0.00000 0.00000 0.00006 -0.00000 -0.00000 155 6D-1 0.00002 0.00001 0.00000 0.00001 0.00002 156 6D+2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 157 6D-2 0.00000 0.00000 -0.00001 0.00000 0.00000 158 7D 0 0.00004 0.00046 -0.00000 0.00010 0.00011 159 7D+1 -0.00000 0.00000 0.00158 -0.00000 -0.00000 160 7D-1 0.00076 -0.00017 0.00000 0.00001 0.00001 161 7D+2 0.00010 -0.00006 0.00000 0.00001 0.00002 162 7D-2 0.00000 -0.00000 -0.00039 0.00000 0.00000 163 7 H 1S 0.00000 -0.00000 0.00000 0.00006 -0.00000 164 2S 0.00001 -0.00002 0.00000 0.00051 0.00002 165 3S 0.00041 -0.00013 0.00000 0.00147 0.00063 166 4PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 167 4PY -0.00000 -0.00000 0.00000 0.00001 -0.00000 168 4PZ -0.00000 -0.00000 0.00000 0.00000 -0.00001 169 8 Mg 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 170 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 171 3S -0.00000 0.00000 0.00000 0.00000 0.00000 172 4S -0.00000 0.00000 0.00000 0.00000 0.00000 173 5S 0.00000 0.00027 0.00000 0.00000 0.00038 174 6S -0.00012 0.00110 0.00000 0.00000 0.00097 175 7S 0.00000 -0.00018 -0.00000 -0.00000 -0.00008 176 7PX -0.00000 -0.00000 0.00006 0.00000 -0.00000 177 7PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 178 7PZ 0.00001 -0.00067 -0.00000 -0.00000 -0.00012 179 8PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 180 8PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 181 8PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 182 9PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 183 9PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 184 9PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 185 10PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 186 10PY 0.00000 0.00000 -0.00000 0.00000 0.00000 187 10PZ 0.00000 0.00001 0.00000 0.00000 0.00002 188 11PX 0.00000 0.00000 -0.00009 -0.00000 0.00000 189 11PY 0.00000 0.00000 -0.00000 0.00001 0.00000 190 11PZ -0.00002 0.00017 0.00000 0.00000 0.00018 191 12PX 0.00000 0.00000 -0.00002 0.00000 0.00000 192 12PY 0.00000 0.00000 0.00000 0.00012 0.00000 193 12PZ 0.00060 0.00470 0.00000 0.00000 0.00342 194 13D 0 0.00000 0.00000 0.00000 0.00000 0.00001 195 13D+1 0.00000 0.00000 -0.00000 -0.00000 0.00000 196 13D-1 0.00000 0.00000 -0.00000 -0.00000 0.00000 197 13D+2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 198 13D-2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 199 14D 0 -0.00001 0.00044 0.00000 0.00000 0.00051 200 14D+1 0.00000 0.00000 -0.00020 -0.00000 0.00000 201 14D-1 0.00000 0.00000 -0.00000 0.00002 0.00000 202 14D+2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 203 14D-2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 204 9 Br 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 205 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 4S 0.00000 0.00000 0.00000 0.00000 0.00000 208 5S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 209 6S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 210 7S 0.00000 0.00000 0.00000 0.00000 0.00000 211 8S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 212 9S 0.00001 0.00006 0.00000 0.00000 0.00008 213 9PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 214 9PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 215 9PZ 0.00002 0.00008 0.00000 0.00000 0.00011 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000 222 12PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 223 12PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 224 12PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 225 13PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 226 13PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 227 13PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 228 14PX -0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY -0.00000 0.00000 0.00000 0.00000 0.00000 230 14PZ -0.00000 0.00000 0.00000 0.00000 0.00000 231 15PX -0.00000 0.00000 0.00000 0.00000 0.00000 232 15PY -0.00000 0.00000 0.00000 0.00000 0.00000 233 15PZ -0.00000 0.00000 0.00000 0.00000 0.00000 234 16PX -0.00000 -0.00000 0.00000 0.00000 0.00000 235 16PY -0.00000 -0.00000 0.00000 0.00000 0.00000 236 16PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 237 17D 0 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 238 17D+1 0.00000 -0.00000 0.00000 -0.00000 0.00000 239 17D-1 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 240 17D+2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 242 18D 0 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 243 18D+1 0.00000 -0.00000 -0.00000 -0.00000 0.00000 244 18D-1 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 245 18D+2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 246 18D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 247 19D 0 0.00000 0.00000 0.00000 0.00000 0.00000 248 19D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00000 0.00000 -0.00000 0.00000 250 19D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 251 19D-2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 252 20D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 253 20D+1 0.00000 0.00000 -0.00000 -0.00000 0.00000 254 20D-1 -0.00000 0.00000 -0.00000 0.00000 0.00000 255 20D+2 0.00000 0.00000 -0.00000 0.00000 -0.00000 256 20D-2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 257 10 H 1S 0.00000 -0.00000 -0.00000 0.00006 -0.00000 258 2S 0.00001 -0.00002 -0.00000 0.00051 0.00002 259 3S 0.00041 -0.00013 -0.00000 0.00147 0.00063 260 4PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 261 4PY -0.00000 -0.00000 -0.00000 0.00001 -0.00000 262 4PZ -0.00000 -0.00000 0.00000 0.00000 -0.00001 263 11 H 1S -0.00000 -0.00046 -0.00000 -0.00212 0.00005 264 2S -0.00003 -0.00289 -0.00000 -0.00841 0.00017 265 3S -0.00001 -0.00314 -0.00000 -0.00911 0.00006 266 4PX 0.00000 -0.00000 0.00027 -0.00000 0.00000 267 4PY 0.00001 -0.00003 -0.00000 0.00007 0.00002 268 4PZ -0.00001 0.00001 0.00000 0.00003 -0.00001 269 12 H 1S 0.03974 0.01381 0.00000 0.00000 0.02144 270 2S 0.07603 0.04297 0.00000 0.00000 0.05359 271 3S 0.01411 0.00329 0.00000 0.00000 0.01541 272 4PX 0.00000 0.00000 0.00197 0.00000 -0.00000 273 4PY 0.00000 0.00000 0.00000 0.00081 0.00000 274 4PZ 0.00509 0.00227 -0.00000 0.00000 0.00005 275 13 H 1S -0.00000 -0.00046 -0.00000 -0.00212 0.00005 276 2S -0.00003 -0.00289 -0.00000 -0.00841 0.00017 277 3S -0.00001 -0.00314 -0.00000 -0.00911 0.00006 278 4PX 0.00000 0.00000 0.00027 -0.00000 0.00000 279 4PY 0.00001 -0.00003 -0.00000 0.00007 0.00002 280 4PZ -0.00001 0.00001 0.00000 0.00003 -0.00001 41 42 43 44 45 41 5S 0.35708 42 5PX 0.00000 0.00210 43 5PY 0.00000 0.00000 0.04577 44 5PZ 0.00000 0.00000 -0.00000 0.00703 45 6D 0 0.00000 0.00000 0.00000 0.00000 0.00046 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00000 0.00000 0.00000 -0.00000 48 6D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 49 6D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 -0.00000 0.00000 0.00000 0.00000 0.00017 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 -0.00000 0.00000 0.00000 0.00000 0.00000 53 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.00132 0.00000 0.00043 0.00022 -0.00000 56 2S 0.00210 -0.00000 0.00071 0.00033 -0.00000 57 2PX 0.00000 0.00028 0.00000 0.00000 0.00000 58 2PY 0.00066 0.00000 -0.00006 0.00001 -0.00000 59 2PZ -0.00017 0.00000 0.00017 0.00002 0.00007 60 3S -0.02432 0.00000 -0.00792 -0.00309 0.00003 61 3PX 0.00000 0.00175 0.00000 0.00000 0.00000 62 3PY 0.00358 0.00000 -0.00028 0.00002 0.00001 63 3PZ -0.00079 0.00000 0.00090 0.00007 0.00034 64 4S -0.04679 0.00000 -0.00292 -0.00216 0.00001 65 4PX 0.00000 0.00427 0.00000 0.00000 0.00000 66 4PY 0.00429 0.00000 -0.00117 0.00020 0.00001 67 4PZ -0.00043 0.00000 0.00065 -0.00000 0.00012 68 5S -0.11170 0.00000 0.00682 -0.00941 0.00000 69 5PX 0.00000 0.00165 -0.00000 -0.00000 0.00000 70 5PY -0.03109 0.00000 0.01474 -0.00047 -0.00000 71 5PZ -0.01114 -0.00000 -0.00475 -0.00511 0.00000 72 6D 0 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 73 6D+1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 74 6D-1 0.00001 0.00000 -0.00000 -0.00000 -0.00000 75 6D+2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 76 6D-2 -0.00000 0.00000 0.00000 0.00000 -0.00000 77 7D 0 0.00001 0.00000 0.00002 -0.00003 -0.00003 78 7D+1 -0.00000 0.00007 0.00000 -0.00000 -0.00000 79 7D-1 0.00000 -0.00000 -0.00002 -0.00008 -0.00001 80 7D+2 0.00003 0.00000 -0.00003 -0.00000 -0.00001 81 7D-2 0.00000 0.00009 -0.00000 -0.00000 -0.00000 82 4 C 1S -0.00065 -0.00000 0.00030 -0.00033 -0.00000 83 2S -0.00087 -0.00000 0.00037 -0.00049 0.00000 84 2PX 0.00000 -0.00006 -0.00000 0.00000 -0.00000 85 2PY -0.00039 -0.00000 0.00009 -0.00011 0.00000 86 2PZ -0.00042 -0.00000 -0.00034 -0.00006 0.00000 87 3S 0.00711 0.00000 -0.00204 0.00456 0.00000 88 3PX 0.00000 -0.00040 -0.00000 0.00000 -0.00000 89 3PY -0.00222 -0.00000 0.00052 -0.00055 0.00000 90 3PZ -0.00229 -0.00000 -0.00191 -0.00026 0.00002 91 4S 0.01685 0.00000 -0.00481 0.00534 0.00001 92 4PX 0.00000 -0.00139 -0.00000 0.00000 0.00000 93 4PY -0.00441 -0.00000 0.00150 -0.00058 -0.00001 94 4PZ 0.00075 -0.00000 -0.00316 -0.00013 0.00003 95 5S 0.11510 0.00000 0.00044 0.01719 0.00001 96 5PX -0.00000 -0.00147 -0.00000 -0.00000 0.00000 97 5PY 0.02679 -0.00000 -0.01346 0.00055 0.00000 98 5PZ -0.03602 -0.00000 -0.01284 -0.00096 -0.00000 99 6D 0 0.00000 -0.00000 -0.00001 0.00000 0.00000 100 6D+1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 101 6D-1 0.00001 0.00000 -0.00000 0.00000 -0.00000 102 6D+2 0.00000 0.00000 -0.00000 0.00000 -0.00000 103 6D-2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 104 7D 0 0.00032 0.00000 -0.00010 0.00008 0.00000 105 7D+1 0.00000 0.00013 -0.00000 -0.00000 0.00000 106 7D-1 -0.00027 0.00000 -0.00005 0.00001 -0.00000 107 7D+2 -0.00007 0.00000 -0.00002 0.00001 -0.00000 108 7D-2 0.00000 -0.00004 0.00000 -0.00000 0.00000 109 5 C 1S -0.00012 0.00000 0.00000 0.00015 0.00000 110 2S -0.00041 0.00000 0.00000 0.00020 -0.00000 111 2PX -0.00000 -0.00012 -0.00000 0.00000 -0.00000 112 2PY -0.00000 -0.00000 0.00005 0.00000 -0.00000 113 2PZ -0.00111 0.00000 0.00000 0.00016 -0.00000 114 3S 0.00904 -0.00000 -0.00000 -0.00149 -0.00000 115 3PX -0.00000 -0.00078 -0.00000 0.00000 -0.00000 116 3PY -0.00000 -0.00000 0.00021 0.00000 -0.00000 117 3PZ -0.00702 0.00000 0.00000 0.00091 -0.00000 118 4S 0.00952 -0.00000 -0.00000 -0.00883 0.00001 119 4PX -0.00000 -0.00242 -0.00000 -0.00000 0.00000 120 4PY -0.00000 -0.00000 0.00180 0.00000 -0.00000 121 4PZ -0.00953 -0.00000 0.00000 0.00250 -0.00001 122 5S -0.40170 -0.00000 -0.00000 -0.02402 -0.00001 123 5PX 0.00000 -0.00028 -0.00000 -0.00000 0.00000 124 5PY 0.00000 -0.00000 -0.02774 -0.00000 -0.00000 125 5PZ 0.04761 -0.00000 -0.00000 0.00135 -0.00000 126 6D 0 -0.00001 0.00000 -0.00000 -0.00000 0.00000 127 6D+1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 128 6D-1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 129 6D+2 0.00000 0.00000 -0.00000 0.00000 -0.00000 130 6D-2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 131 7D 0 0.00015 0.00000 -0.00000 -0.00002 0.00001 132 7D+1 0.00000 0.00002 -0.00000 -0.00000 0.00000 133 7D-1 0.00000 -0.00000 -0.00028 -0.00000 0.00000 134 7D+2 -0.00000 0.00000 -0.00000 -0.00000 0.00000 135 7D-2 -0.00000 0.00000 -0.00000 0.00000 -0.00000 136 6 C 1S -0.00065 0.00000 0.00030 -0.00033 -0.00000 137 2S -0.00087 -0.00000 0.00037 -0.00049 0.00000 138 2PX -0.00000 -0.00006 0.00000 0.00000 0.00000 139 2PY -0.00039 0.00000 0.00009 -0.00011 0.00000 140 2PZ -0.00042 0.00000 -0.00034 -0.00006 0.00000 141 3S 0.00711 0.00000 -0.00204 0.00456 0.00000 142 3PX -0.00000 -0.00040 0.00000 0.00000 0.00000 143 3PY -0.00222 0.00000 0.00052 -0.00055 0.00000 144 3PZ -0.00229 0.00000 -0.00191 -0.00026 0.00002 145 4S 0.01685 0.00000 -0.00481 0.00534 0.00001 146 4PX -0.00000 -0.00139 0.00000 0.00000 0.00000 147 4PY -0.00441 0.00000 0.00150 -0.00058 -0.00001 148 4PZ 0.00075 0.00000 -0.00316 -0.00013 0.00003 149 5S 0.11510 0.00000 0.00044 0.01719 0.00001 150 5PX -0.00000 -0.00147 0.00000 -0.00000 0.00000 151 5PY 0.02679 -0.00000 -0.01346 0.00055 0.00000 152 5PZ -0.03602 0.00000 -0.01284 -0.00096 -0.00000 153 6D 0 0.00000 -0.00000 -0.00001 0.00000 0.00000 154 6D+1 0.00000 0.00000 -0.00000 -0.00000 0.00000 155 6D-1 0.00001 -0.00000 -0.00000 0.00000 -0.00000 156 6D+2 0.00000 0.00000 -0.00000 0.00000 -0.00000 157 6D-2 0.00000 -0.00000 0.00000 0.00000 -0.00000 158 7D 0 0.00032 0.00000 -0.00010 0.00008 0.00000 159 7D+1 0.00000 0.00013 -0.00000 -0.00000 0.00000 160 7D-1 -0.00027 -0.00000 -0.00005 0.00001 -0.00000 161 7D+2 -0.00007 0.00000 -0.00002 0.00001 -0.00000 162 7D-2 -0.00000 -0.00004 0.00000 0.00000 -0.00000 163 7 H 1S 0.00153 0.00000 0.00065 0.00089 -0.00000 164 2S 0.00703 0.00000 0.00256 0.00339 -0.00000 165 3S 0.00254 0.00000 0.00304 0.00264 -0.00000 166 4PX 0.00000 -0.00001 0.00000 0.00000 0.00000 167 4PY 0.00014 0.00000 0.00001 0.00007 -0.00000 168 4PZ 0.00007 0.00000 -0.00001 0.00002 0.00000 169 8 Mg 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 170 2S -0.00004 -0.00000 -0.00000 -0.00002 0.00000 171 3S 0.00030 0.00000 0.00000 0.00018 0.00000 172 4S 0.00037 0.00000 0.00000 0.00038 -0.00000 173 5S 0.01578 -0.00000 -0.00000 -0.00028 0.00000 174 6S 0.03981 0.00000 0.00000 0.00565 -0.00000 175 7S -0.00394 -0.00000 -0.00000 -0.00022 -0.00000 176 7PX -0.00000 0.00004 0.00000 0.00000 0.00000 177 7PY -0.00000 0.00000 0.00035 0.00000 -0.00000 178 7PZ -0.00648 0.00000 0.00000 -0.00004 -0.00000 179 8PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 180 8PY -0.00000 -0.00000 -0.00002 -0.00000 0.00000 181 8PZ -0.00003 -0.00000 -0.00000 -0.00002 0.00000 182 9PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 183 9PY -0.00000 -0.00000 -0.00019 -0.00000 -0.00000 184 9PZ -0.00037 -0.00000 -0.00000 -0.00019 -0.00000 185 10PX -0.00000 -0.00003 0.00000 -0.00000 0.00000 186 10PY -0.00000 0.00000 0.00007 -0.00000 0.00000 187 10PZ -0.00101 -0.00000 -0.00000 -0.00089 0.00000 188 11PX 0.00000 -0.00013 0.00000 0.00000 0.00000 189 11PY 0.00000 0.00000 0.00087 0.00000 0.00000 190 11PZ 0.00630 0.00000 0.00000 0.00060 0.00000 191 12PX 0.00000 -0.00007 -0.00000 0.00000 -0.00000 192 12PY 0.00000 -0.00000 -0.00025 0.00000 -0.00000 193 12PZ 0.05821 0.00000 0.00000 0.00352 -0.00000 194 13D 0 0.00044 0.00000 -0.00000 0.00002 -0.00000 195 13D+1 0.00000 -0.00001 -0.00000 0.00000 0.00000 196 13D-1 0.00000 -0.00000 -0.00008 -0.00000 -0.00000 197 13D+2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 198 13D-2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 199 14D 0 0.00692 0.00000 -0.00000 0.00031 0.00000 200 14D+1 0.00000 -0.00017 -0.00000 0.00000 0.00000 201 14D-1 0.00000 -0.00000 -0.00130 -0.00000 0.00000 202 14D+2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 203 14D-2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 204 9 Br 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 205 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 4S 0.00000 0.00000 0.00000 0.00000 0.00000 208 5S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 209 6S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 210 7S 0.00003 0.00000 0.00000 0.00002 -0.00000 211 8S 0.00001 0.00000 0.00000 0.00005 -0.00000 212 9S 0.00186 0.00000 0.00000 0.00017 -0.00000 213 9PX 0.00000 0.00000 0.00000 0.00000 -0.00000 214 9PY 0.00000 0.00000 0.00015 0.00000 -0.00000 215 9PZ 0.00190 0.00000 0.00000 0.00012 -0.00000 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000 222 12PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 223 12PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 224 12PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 225 13PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 226 13PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 227 13PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 0.00000 0.00000 0.00000 0.00000 230 14PZ 0.00001 0.00000 0.00000 0.00001 0.00000 231 15PX 0.00000 0.00000 0.00000 0.00000 -0.00000 232 15PY 0.00000 0.00000 0.00003 0.00000 -0.00000 233 15PZ 0.00016 0.00000 0.00000 0.00006 -0.00000 234 16PX 0.00000 0.00000 0.00000 0.00000 -0.00000 235 16PY 0.00000 0.00000 0.00018 0.00000 -0.00000 236 16PZ 0.00073 0.00000 0.00000 0.00029 -0.00000 237 17D 0 0.00000 0.00000 -0.00000 0.00000 0.00000 238 17D+1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 239 17D-1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 240 17D+2 -0.00000 0.00000 -0.00000 0.00000 0.00000 241 17D-2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 242 18D 0 0.00000 0.00000 -0.00000 0.00000 0.00000 243 18D+1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 244 18D-1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 245 18D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 246 18D-2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 247 19D 0 0.00000 0.00000 0.00000 0.00000 0.00000 248 19D+1 0.00000 -0.00000 -0.00000 0.00000 0.00000 249 19D-1 0.00000 -0.00000 -0.00000 0.00000 0.00000 250 19D+2 -0.00000 0.00000 -0.00000 0.00000 0.00000 251 19D-2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 252 20D 0 0.00002 0.00000 0.00000 0.00001 0.00000 253 20D+1 0.00000 -0.00000 0.00000 0.00000 0.00000 254 20D-1 0.00000 0.00000 0.00001 0.00000 0.00000 255 20D+2 -0.00000 -0.00000 0.00000 0.00000 -0.00000 256 20D-2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 257 10 H 1S 0.00153 0.00000 0.00065 0.00089 -0.00000 258 2S 0.00703 0.00000 0.00256 0.00339 -0.00000 259 3S 0.00254 0.00000 0.00304 0.00264 -0.00000 260 4PX -0.00000 -0.00001 -0.00000 0.00000 -0.00000 261 4PY 0.00014 0.00000 0.00001 0.00007 -0.00000 262 4PZ 0.00007 -0.00000 -0.00001 0.00002 0.00000 263 11 H 1S -0.00538 0.00000 -0.00033 -0.00006 0.00000 264 2S -0.02187 0.00000 -0.00104 -0.00020 0.00003 265 3S -0.01435 0.00000 0.00122 -0.00002 0.00001 266 4PX -0.00000 0.00004 0.00000 -0.00000 -0.00000 267 4PY -0.00043 -0.00000 -0.00001 -0.00001 0.00000 268 4PZ 0.00002 0.00000 0.00001 -0.00004 -0.00000 269 12 H 1S 0.00694 0.00000 0.00000 0.00025 0.00108 270 2S 0.02832 0.00000 0.00000 0.00081 0.00100 271 3S 0.01005 0.00000 0.00000 0.00027 0.00006 272 4PX 0.00000 0.00012 0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 0.00005 0.00000 0.00000 274 4PZ 0.00036 0.00000 0.00000 -0.00003 0.00017 275 13 H 1S -0.00538 -0.00000 -0.00033 -0.00006 0.00000 276 2S -0.02187 -0.00000 -0.00104 -0.00020 0.00003 277 3S -0.01435 0.00000 0.00122 -0.00002 0.00001 278 4PX -0.00000 0.00004 -0.00000 0.00000 0.00000 279 4PY -0.00043 0.00000 -0.00001 -0.00001 0.00000 280 4PZ 0.00002 -0.00000 0.00001 -0.00004 -0.00000 46 47 48 49 50 46 6D+1 0.00010 47 6D-1 0.00000 0.00074 48 6D+2 0.00000 0.00000 0.00039 49 6D-2 -0.00000 0.00000 0.00000 0.00021 50 7D 0 0.00000 0.00000 0.00000 0.00000 0.00129 51 7D+1 0.00007 0.00000 0.00000 -0.00000 0.00000 52 7D-1 0.00000 0.00023 -0.00000 0.00000 0.00000 53 7D+2 0.00000 -0.00000 0.00012 -0.00000 -0.00000 54 7D-2 -0.00000 0.00000 -0.00000 0.00031 0.00000 55 3 C 1S 0.00000 -0.00002 -0.00001 0.00000 -0.00004 56 2S 0.00000 -0.00002 -0.00001 0.00000 -0.00004 57 2PX 0.00002 0.00000 0.00000 0.00006 0.00000 58 2PY -0.00000 0.00040 0.00010 -0.00000 0.00008 59 2PZ 0.00000 0.00003 0.00012 0.00000 0.00081 60 3S -0.00000 0.00070 0.00035 -0.00000 -0.00003 61 3PX 0.00016 0.00000 0.00000 0.00040 0.00000 62 3PY -0.00000 0.00107 0.00020 -0.00000 0.00029 63 3PZ -0.00000 0.00003 0.00039 0.00000 0.00263 64 4S -0.00000 0.00010 0.00006 -0.00000 -0.00003 65 4PX 0.00008 0.00000 0.00000 0.00022 0.00000 66 4PY -0.00000 0.00004 -0.00002 -0.00000 0.00021 67 4PZ -0.00000 -0.00002 0.00005 0.00000 0.00111 68 5S -0.00000 -0.00000 0.00001 0.00000 0.00001 69 5PX 0.00000 0.00000 -0.00000 0.00001 0.00000 70 5PY 0.00000 0.00000 0.00000 -0.00000 0.00005 71 5PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00009 72 6D 0 -0.00000 -0.00001 -0.00001 -0.00000 -0.00004 73 6D+1 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 74 6D-1 -0.00000 0.00004 0.00001 -0.00000 0.00000 75 6D+2 -0.00000 0.00001 0.00002 -0.00000 -0.00002 76 6D-2 0.00001 -0.00000 0.00000 0.00000 -0.00000 77 7D 0 -0.00000 -0.00003 -0.00003 -0.00000 -0.00005 78 7D+1 -0.00000 -0.00000 -0.00000 -0.00004 -0.00000 79 7D-1 -0.00000 -0.00001 0.00000 -0.00000 -0.00006 80 7D+2 0.00000 -0.00001 0.00000 0.00000 -0.00002 81 7D-2 0.00003 -0.00000 0.00000 -0.00002 -0.00000 82 4 C 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00001 83 2S 0.00000 0.00000 -0.00000 0.00000 -0.00002 84 2PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 85 2PY 0.00000 0.00000 -0.00000 0.00000 0.00001 86 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00010 87 3S 0.00000 0.00000 -0.00000 0.00000 0.00049 88 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 89 3PY 0.00000 0.00000 -0.00000 0.00000 0.00008 90 3PZ 0.00000 0.00001 -0.00000 0.00000 0.00058 91 4S 0.00000 0.00001 -0.00000 -0.00000 0.00025 92 4PX 0.00001 -0.00000 -0.00000 0.00004 0.00000 93 4PY -0.00000 0.00000 -0.00000 -0.00000 -0.00004 94 4PZ 0.00000 0.00003 -0.00001 0.00000 0.00013 95 5S 0.00000 0.00002 -0.00000 -0.00000 -0.00007 96 5PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 97 5PY -0.00000 -0.00001 -0.00000 -0.00000 -0.00012 98 5PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00011 99 6D 0 0.00000 0.00000 -0.00000 0.00000 0.00000 100 6D+1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 101 6D-1 -0.00000 0.00000 0.00000 0.00000 0.00001 102 6D+2 0.00000 -0.00000 0.00000 0.00000 0.00000 103 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 104 7D 0 -0.00000 0.00000 -0.00000 -0.00000 0.00001 105 7D+1 0.00000 -0.00000 -0.00000 0.00000 0.00000 106 7D-1 -0.00000 0.00001 0.00000 -0.00000 0.00019 107 7D+2 0.00000 -0.00000 0.00000 0.00000 0.00003 108 7D-2 -0.00000 0.00000 0.00000 -0.00000 -0.00000 109 5 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 110 2S -0.00000 -0.00000 0.00000 0.00000 0.00001 111 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 112 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 113 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00004 114 3S -0.00000 -0.00000 0.00000 0.00000 -0.00025 115 3PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 116 3PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 117 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00042 118 4S 0.00000 0.00000 -0.00000 -0.00000 -0.00066 119 4PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 120 4PY -0.00000 -0.00001 -0.00000 -0.00000 0.00000 121 4PZ 0.00000 -0.00000 -0.00000 0.00000 0.00080 122 5S -0.00000 -0.00000 -0.00000 0.00000 0.00083 123 5PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 124 5PY -0.00000 -0.00002 -0.00000 -0.00000 0.00000 125 5PZ -0.00000 -0.00000 0.00000 0.00000 -0.00001 126 6D 0 0.00000 0.00000 -0.00000 -0.00000 0.00000 127 6D+1 0.00000 0.00000 -0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00000 0.00000 -0.00000 0.00000 129 6D+2 -0.00000 0.00000 0.00000 -0.00000 0.00000 130 6D-2 0.00000 -0.00000 0.00000 0.00000 -0.00000 131 7D 0 0.00000 0.00000 0.00000 -0.00000 -0.00001 132 7D+1 0.00000 0.00000 -0.00000 0.00000 -0.00000 133 7D-1 0.00000 0.00000 0.00000 -0.00000 0.00000 134 7D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 135 7D-2 0.00000 -0.00000 0.00000 0.00000 -0.00000 136 6 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00001 137 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00002 138 2PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 139 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00001 140 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00010 141 3S 0.00000 0.00000 -0.00000 -0.00000 0.00049 142 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 143 3PY -0.00000 0.00000 -0.00000 -0.00000 0.00008 144 3PZ 0.00000 0.00001 -0.00000 -0.00000 0.00058 145 4S 0.00000 0.00001 -0.00000 0.00000 0.00025 146 4PX 0.00001 -0.00000 -0.00000 0.00004 0.00000 147 4PY -0.00000 0.00000 -0.00000 -0.00000 -0.00004 148 4PZ 0.00000 0.00003 -0.00001 -0.00000 0.00013 149 5S 0.00000 0.00002 -0.00000 0.00000 -0.00007 150 5PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 151 5PY 0.00000 -0.00001 -0.00000 0.00000 -0.00012 152 5PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00011 153 6D 0 0.00000 0.00000 -0.00000 -0.00000 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 -0.00000 0.00000 0.00000 0.00000 0.00001 156 6D+2 0.00000 -0.00000 0.00000 0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 158 7D 0 0.00000 0.00000 -0.00000 -0.00000 0.00001 159 7D+1 0.00000 -0.00000 0.00000 0.00000 0.00000 160 7D-1 -0.00000 0.00001 0.00000 0.00000 0.00019 161 7D+2 -0.00000 -0.00000 0.00000 0.00000 0.00003 162 7D-2 -0.00000 0.00000 0.00000 -0.00000 0.00000 163 7 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 164 2S -0.00000 0.00000 0.00000 0.00000 -0.00001 165 3S -0.00000 0.00000 0.00000 0.00000 -0.00002 166 4PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 167 4PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 168 4PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 169 8 Mg 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S 0.00000 0.00000 0.00000 0.00000 0.00000 171 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 172 4S -0.00000 -0.00000 0.00000 0.00000 -0.00000 173 5S 0.00000 0.00000 -0.00000 -0.00000 -0.00002 174 6S -0.00000 -0.00000 -0.00000 0.00000 -0.00006 175 7S -0.00000 -0.00000 -0.00000 0.00000 0.00000 176 7PX 0.00000 0.00000 0.00000 0.00000 -0.00000 177 7PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 178 7PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 179 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 9PY 0.00000 0.00000 -0.00000 0.00000 0.00000 184 9PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 185 10PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 186 10PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 187 10PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 188 11PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 189 11PY -0.00000 0.00000 0.00000 0.00000 -0.00000 190 11PZ 0.00000 0.00000 0.00000 -0.00000 -0.00001 191 12PX 0.00000 0.00000 0.00000 0.00000 -0.00000 192 12PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 193 12PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00010 194 13D 0 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 195 13D+1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 196 13D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 197 13D+2 -0.00000 0.00000 0.00000 -0.00000 0.00000 198 13D-2 -0.00000 -0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00000 0.00000 -0.00000 -0.00000 -0.00004 200 14D+1 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 201 14D-1 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 202 14D+2 -0.00000 0.00000 0.00000 -0.00000 0.00000 203 14D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 205 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 4S 0.00000 0.00000 0.00000 0.00000 0.00000 208 5S 0.00000 0.00000 0.00000 0.00000 -0.00000 209 6S 0.00000 0.00000 0.00000 0.00000 -0.00000 210 7S -0.00000 -0.00000 -0.00000 0.00000 0.00000 211 8S -0.00000 -0.00000 -0.00000 0.00000 0.00000 212 9S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 213 9PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 214 9PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 215 9PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 -0.00000 223 12PY 0.00000 0.00000 0.00000 0.00000 -0.00000 224 12PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 -0.00000 226 13PY 0.00000 0.00000 0.00000 0.00000 -0.00000 227 13PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 0.00000 0.00000 0.00000 0.00000 230 14PZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 15PX 0.00000 0.00000 0.00000 0.00000 0.00000 232 15PY 0.00000 0.00000 -0.00000 0.00000 0.00000 233 15PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 234 16PX 0.00000 0.00000 0.00000 0.00000 0.00000 235 16PY 0.00000 0.00000 -0.00000 0.00000 0.00000 236 16PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 237 17D 0 0.00000 0.00000 0.00000 0.00000 -0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00000 -0.00000 240 17D+2 0.00000 0.00000 0.00000 0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 242 18D 0 0.00000 0.00000 0.00000 0.00000 -0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 244 18D-1 0.00000 0.00000 0.00000 0.00000 -0.00000 245 18D+2 0.00000 0.00000 0.00000 0.00000 -0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 247 19D 0 0.00000 0.00000 0.00000 0.00000 -0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 249 19D-1 0.00000 0.00000 0.00000 0.00000 -0.00000 250 19D+2 0.00000 0.00000 0.00000 0.00000 -0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00000 0.00000 -0.00000 -0.00000 0.00000 253 20D+1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 254 20D-1 -0.00000 -0.00000 0.00000 0.00000 0.00000 255 20D+2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 256 20D-2 -0.00000 0.00000 0.00000 -0.00000 -0.00000 257 10 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 258 2S -0.00000 0.00000 0.00000 0.00000 -0.00001 259 3S -0.00000 0.00000 0.00000 0.00000 -0.00002 260 4PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 261 4PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 262 4PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 263 11 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00015 264 2S -0.00000 -0.00001 0.00003 0.00000 0.00057 265 3S 0.00000 -0.00001 0.00001 0.00000 0.00016 266 4PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 267 4PY -0.00000 0.00000 0.00000 0.00000 0.00005 268 4PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 269 12 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00013 270 2S 0.00000 0.00000 0.00000 -0.00000 0.00016 271 3S 0.00000 0.00000 0.00000 -0.00000 0.00022 272 4PX -0.00005 -0.00000 -0.00000 -0.00000 0.00000 273 4PY -0.00000 -0.00007 -0.00000 -0.00000 -0.00000 274 4PZ 0.00000 0.00000 -0.00000 -0.00000 0.00001 275 13 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00015 276 2S -0.00000 -0.00001 0.00003 -0.00000 0.00057 277 3S -0.00000 -0.00001 0.00001 -0.00000 0.00016 278 4PX 0.00000 0.00000 0.00000 0.00000 -0.00000 279 4PY -0.00000 0.00000 0.00000 0.00000 0.00005 280 4PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 51 52 53 54 55 51 7D+1 0.00023 52 7D-1 0.00000 0.00076 53 7D+2 0.00000 -0.00000 0.00077 54 7D-2 -0.00000 0.00000 0.00000 0.00215 55 3 C 1S 0.00000 -0.00062 -0.00040 0.00000 0.65856 56 2S 0.00000 -0.00079 -0.00054 0.00000 0.49216 57 2PX 0.00023 0.00000 0.00000 0.00138 0.00000 58 2PY 0.00000 0.00062 -0.00011 0.00000 0.00000 59 2PZ 0.00000 0.00004 0.00045 0.00000 0.00000 60 3S -0.00000 0.00226 0.00180 -0.00000 -0.02593 61 3PX 0.00088 0.00000 0.00000 0.00522 0.00000 62 3PY 0.00000 0.00120 0.00002 0.00000 0.00000 63 3PZ 0.00000 0.00058 0.00112 0.00000 0.00000 64 4S -0.00000 0.00038 0.00028 -0.00000 -0.00892 65 4PX 0.00053 0.00000 0.00000 0.00385 0.00000 66 4PY 0.00000 0.00001 0.00034 -0.00000 0.00000 67 4PZ -0.00000 0.00046 0.00031 0.00000 0.00000 68 5S -0.00000 0.00005 0.00016 -0.00000 -0.00350 69 5PX 0.00001 0.00000 -0.00000 0.00019 0.00000 70 5PY 0.00000 -0.00002 0.00003 -0.00000 0.00000 71 5PZ 0.00000 -0.00005 -0.00002 0.00000 0.00000 72 6D 0 -0.00000 -0.00004 -0.00002 -0.00000 0.00000 73 6D+1 0.00000 0.00000 -0.00000 -0.00005 0.00000 74 6D-1 0.00000 -0.00000 -0.00000 0.00000 0.00000 75 6D+2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 76 6D-2 0.00002 -0.00000 0.00000 0.00000 0.00000 77 7D 0 -0.00000 -0.00005 -0.00011 -0.00000 0.00000 78 7D+1 -0.00000 -0.00000 -0.00000 -0.00032 -0.00000 79 7D-1 -0.00000 -0.00002 0.00002 -0.00000 -0.00000 80 7D+2 0.00000 0.00001 0.00000 -0.00000 0.00000 81 7D-2 0.00008 -0.00000 -0.00000 -0.00008 -0.00000 82 4 C 1S -0.00000 -0.00002 0.00000 -0.00000 0.00000 83 2S -0.00000 -0.00003 0.00000 -0.00000 0.00000 84 2PX 0.00001 -0.00000 -0.00000 0.00004 -0.00000 85 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PZ 0.00000 0.00012 -0.00002 -0.00000 -0.00005 87 3S 0.00000 0.00034 -0.00008 0.00000 -0.00036 88 3PX 0.00013 -0.00000 0.00000 0.00037 -0.00000 89 3PY 0.00000 0.00001 -0.00000 0.00000 -0.00000 90 3PZ 0.00000 0.00077 -0.00010 -0.00000 -0.00176 91 4S 0.00000 0.00025 -0.00003 -0.00000 -0.00009 92 4PX 0.00028 -0.00000 0.00000 0.00098 -0.00000 93 4PY 0.00000 -0.00000 -0.00004 -0.00000 -0.00000 94 4PZ -0.00000 0.00052 -0.00002 0.00000 -0.00156 95 5S 0.00000 -0.00006 -0.00006 0.00000 0.00288 96 5PX 0.00003 -0.00000 -0.00000 0.00012 0.00000 97 5PY -0.00000 0.00003 -0.00004 0.00000 -0.00000 98 5PZ 0.00000 0.00000 -0.00004 0.00000 0.00047 99 6D 0 0.00000 0.00001 -0.00000 0.00000 -0.00002 100 6D+1 0.00000 -0.00000 0.00000 0.00000 -0.00000 101 6D-1 0.00000 0.00000 -0.00000 0.00000 0.00000 102 6D+2 0.00000 -0.00000 -0.00000 0.00000 0.00000 103 6D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 104 7D 0 0.00000 0.00002 0.00006 0.00000 -0.00104 105 7D+1 0.00003 -0.00000 0.00000 0.00011 -0.00000 106 7D-1 0.00000 0.00003 0.00002 0.00000 -0.00000 107 7D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 108 7D-2 0.00001 0.00000 -0.00000 -0.00001 0.00000 109 5 C 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 110 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 111 2PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 112 2PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 113 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 114 3S -0.00000 -0.00000 0.00000 0.00000 0.00000 115 3PX 0.00003 0.00000 -0.00000 0.00000 0.00000 116 3PY 0.00000 -0.00003 0.00000 -0.00000 0.00000 117 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 118 4S -0.00000 -0.00000 0.00000 0.00000 -0.00007 119 4PX 0.00012 0.00000 -0.00000 0.00000 -0.00000 120 4PY 0.00000 -0.00011 0.00000 -0.00000 -0.00002 121 4PZ 0.00000 0.00000 0.00000 -0.00000 -0.00002 122 5S 0.00000 0.00000 0.00000 -0.00000 -0.00096 123 5PX -0.00007 0.00000 0.00000 -0.00000 -0.00000 124 5PY 0.00000 0.00012 -0.00000 0.00000 -0.00026 125 5PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00013 126 6D 0 0.00000 0.00000 0.00000 -0.00000 -0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 128 6D-1 0.00000 0.00000 0.00000 -0.00000 -0.00000 129 6D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 130 6D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 131 7D 0 -0.00000 0.00000 0.00000 -0.00000 -0.00001 132 7D+1 0.00002 0.00000 0.00000 0.00000 -0.00000 133 7D-1 0.00000 0.00004 -0.00000 -0.00000 -0.00001 134 7D+2 0.00000 -0.00000 -0.00000 0.00000 0.00000 135 7D-2 0.00000 -0.00000 -0.00000 0.00002 -0.00000 136 6 C 1S -0.00000 -0.00002 0.00000 -0.00000 -0.00000 137 2S -0.00000 -0.00003 0.00000 -0.00000 0.00000 138 2PX 0.00001 -0.00000 0.00000 0.00004 0.00000 139 2PY -0.00000 0.00000 0.00000 -0.00000 0.00000 140 2PZ 0.00000 0.00012 -0.00002 -0.00000 0.00000 141 3S 0.00000 0.00034 -0.00008 -0.00000 0.00000 142 3PX 0.00013 -0.00000 0.00000 0.00037 0.00000 143 3PY -0.00000 0.00001 -0.00000 -0.00000 0.00000 144 3PZ 0.00000 0.00077 -0.00010 -0.00000 0.00000 145 4S 0.00000 0.00025 -0.00003 0.00000 -0.00000 146 4PX 0.00028 -0.00000 0.00000 0.00098 0.00000 147 4PY -0.00000 -0.00000 -0.00004 -0.00000 0.00006 148 4PZ 0.00000 0.00052 -0.00002 -0.00000 0.00000 149 5S 0.00000 -0.00006 -0.00006 0.00000 0.00114 150 5PX 0.00003 0.00000 -0.00000 0.00012 0.00000 151 5PY -0.00000 0.00003 -0.00004 -0.00000 0.00012 152 5PZ 0.00000 0.00000 -0.00004 -0.00000 0.00031 153 6D 0 0.00000 0.00001 -0.00000 -0.00000 0.00000 154 6D+1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 155 6D-1 0.00000 0.00000 -0.00000 -0.00000 0.00000 156 6D+2 0.00000 -0.00000 -0.00000 0.00000 0.00000 157 6D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 158 7D 0 -0.00000 0.00002 0.00006 -0.00000 0.00000 159 7D+1 0.00003 -0.00000 0.00000 0.00011 -0.00000 160 7D-1 0.00000 0.00003 0.00002 -0.00000 0.00000 161 7D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 162 7D-2 0.00001 0.00000 -0.00000 -0.00001 0.00000 163 7 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 164 2S 0.00000 -0.00000 -0.00001 0.00000 0.00000 165 3S 0.00000 -0.00001 -0.00001 0.00000 0.00000 166 4PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 167 4PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 168 4PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 169 8 Mg 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 170 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 171 3S -0.00000 -0.00000 0.00000 0.00000 0.00000 172 4S -0.00000 -0.00000 -0.00000 0.00000 0.00000 173 5S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 174 6S -0.00000 -0.00000 -0.00000 0.00000 0.00004 175 7S 0.00000 0.00000 0.00000 -0.00000 0.00001 176 7PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 177 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 7PZ 0.00000 0.00000 -0.00000 -0.00000 0.00001 179 8PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 180 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 8PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 182 9PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 183 9PY 0.00000 0.00000 0.00000 0.00000 -0.00000 184 9PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 185 10PX 0.00000 0.00000 0.00000 0.00000 -0.00000 186 10PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 187 10PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 188 11PX 0.00000 -0.00000 0.00000 0.00000 0.00000 189 11PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 190 11PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 191 12PX 0.00001 0.00000 0.00000 0.00000 -0.00000 192 12PY 0.00000 -0.00001 -0.00000 -0.00000 0.00001 193 12PZ -0.00000 -0.00000 0.00000 0.00000 -0.00008 194 13D 0 -0.00000 -0.00000 0.00000 0.00000 -0.00000 195 13D+1 0.00000 -0.00000 0.00000 0.00000 -0.00000 196 13D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 197 13D+2 0.00000 -0.00000 0.00000 -0.00000 0.00000 198 13D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 199 14D 0 -0.00000 -0.00000 0.00000 0.00000 -0.00000 200 14D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 201 14D-1 0.00000 -0.00000 -0.00000 -0.00000 0.00000 202 14D+2 0.00000 -0.00000 -0.00000 0.00000 0.00000 203 14D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 204 9 Br 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 205 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 -0.00000 0.00000 207 4S 0.00000 0.00000 -0.00000 -0.00000 0.00000 208 5S -0.00000 -0.00000 0.00000 0.00000 0.00000 209 6S -0.00000 -0.00000 -0.00000 0.00000 0.00000 210 7S 0.00000 0.00000 -0.00000 -0.00000 0.00000 211 8S 0.00000 0.00000 0.00000 -0.00000 0.00000 212 9S -0.00000 -0.00000 0.00000 0.00000 -0.00000 213 9PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 214 9PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 215 9PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 216 10PX 0.00000 0.00000 -0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 219 11PX 0.00000 0.00000 -0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 222 12PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 223 12PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 224 12PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 225 13PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 226 13PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 227 13PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 0.00000 0.00000 0.00000 0.00000 230 14PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 231 15PX 0.00000 0.00000 -0.00000 0.00000 0.00000 232 15PY 0.00000 0.00000 0.00000 0.00000 -0.00000 233 15PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 234 16PX 0.00000 0.00000 -0.00000 0.00000 0.00000 235 16PY 0.00000 0.00000 0.00000 0.00000 0.00000 236 16PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 237 17D 0 -0.00000 -0.00000 -0.00000 0.00000 0.00000 238 17D+1 0.00000 -0.00000 0.00000 0.00000 0.00000 239 17D-1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 240 17D+2 0.00000 -0.00000 -0.00000 0.00000 0.00000 241 17D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 242 18D 0 -0.00000 -0.00000 -0.00000 0.00000 0.00000 243 18D+1 0.00000 -0.00000 0.00000 0.00000 0.00000 244 18D-1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 245 18D+2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 246 18D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 247 19D 0 -0.00000 -0.00000 0.00000 0.00000 0.00000 248 19D+1 -0.00000 -0.00000 0.00000 0.00000 0.00000 249 19D-1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 250 19D+2 0.00000 -0.00000 -0.00000 0.00000 0.00000 251 19D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00000 0.00000 -0.00000 -0.00000 0.00000 253 20D+1 0.00000 0.00000 -0.00000 0.00000 0.00000 254 20D-1 0.00000 0.00000 0.00000 0.00000 0.00000 255 20D+2 0.00000 0.00000 -0.00000 -0.00000 0.00000 256 20D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 257 10 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 258 2S 0.00000 -0.00000 -0.00001 -0.00000 0.00002 259 3S 0.00000 -0.00001 -0.00001 0.00000 0.00020 260 4PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 261 4PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 262 4PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 263 11 H 1S -0.00000 -0.00004 0.00032 0.00000 -0.00025 264 2S -0.00000 -0.00014 0.00121 0.00000 -0.00241 265 3S -0.00000 -0.00006 0.00024 0.00000 0.00017 266 4PX 0.00000 0.00000 0.00000 0.00005 -0.00000 267 4PY -0.00000 -0.00001 0.00011 0.00000 -0.00043 268 4PZ 0.00000 -0.00001 -0.00000 0.00000 -0.00014 269 12 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 270 2S 0.00000 0.00000 0.00000 -0.00000 0.00001 271 3S 0.00000 0.00000 -0.00000 -0.00000 0.00015 272 4PX -0.00011 -0.00000 -0.00000 -0.00000 0.00000 273 4PY -0.00000 -0.00007 -0.00000 -0.00000 -0.00000 274 4PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 275 13 H 1S -0.00000 -0.00004 0.00032 -0.00000 -0.00000 276 2S -0.00000 -0.00014 0.00121 -0.00000 -0.00000 277 3S -0.00000 -0.00006 0.00024 -0.00000 -0.00001 278 4PX 0.00000 0.00000 0.00000 0.00005 -0.00000 279 4PY -0.00000 -0.00001 0.00011 -0.00000 -0.00000 280 4PZ -0.00000 -0.00001 -0.00000 0.00000 0.00000 56 57 58 59 60 56 2S 0.48968 57 2PX 0.00000 0.06717 58 2PY 0.00000 0.00000 0.09074 59 2PZ 0.00000 0.00000 -0.00000 0.09231 60 3S -0.05926 0.00000 0.00000 0.00000 0.43546 61 3PX 0.00000 0.06500 0.00000 0.00000 0.00000 62 3PY 0.00000 0.00000 0.07835 -0.00000 0.00000 63 3PZ 0.00000 0.00000 -0.00000 0.08095 0.00000 64 4S -0.01561 0.00000 0.00000 0.00000 0.15573 65 4PX 0.00000 0.01817 0.00000 0.00000 0.00000 66 4PY 0.00000 0.00000 0.01416 0.00000 0.00000 67 4PZ 0.00000 0.00000 0.00000 0.01399 0.00000 68 5S -0.00577 0.00000 0.00000 0.00000 0.06932 69 5PX 0.00000 0.00081 0.00000 0.00000 0.00000 70 5PY 0.00000 0.00000 -0.00026 0.00000 0.00000 71 5PZ 0.00000 0.00000 0.00000 0.00006 0.00000 72 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 74 6D-1 0.00000 0.00000 0.00000 0.00000 -0.00000 75 6D+2 -0.00000 0.00000 0.00000 0.00000 -0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 77 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 78 7D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.00000 0.00000 0.00000 0.00000 -0.00000 80 7D+2 0.00000 0.00000 0.00000 0.00000 -0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 82 4 C 1S 0.00000 -0.00000 -0.00000 -0.00005 -0.00036 83 2S -0.00000 -0.00000 -0.00000 -0.00004 -0.00060 84 2PX -0.00000 0.00019 0.00000 0.00000 0.00000 85 2PY 0.00000 0.00000 0.00002 0.00000 -0.00000 86 2PZ -0.00004 0.00000 -0.00000 0.00283 0.00797 87 3S -0.00061 0.00000 0.00000 0.00789 0.01430 88 3PX -0.00000 0.00329 0.00000 0.00000 0.00000 89 3PY 0.00000 0.00000 0.00029 0.00000 -0.00000 90 3PZ -0.00310 0.00000 -0.00000 0.01977 0.04259 91 4S -0.00048 0.00000 -0.00000 0.00287 0.01063 92 4PX -0.00000 0.00466 0.00000 -0.00000 0.00000 93 4PY -0.00000 0.00000 -0.00024 0.00001 0.00000 94 4PZ -0.00304 0.00000 -0.00000 0.00383 0.03461 95 5S 0.00459 -0.00000 0.00001 -0.00164 -0.05375 96 5PX 0.00000 0.00036 0.00000 -0.00000 -0.00000 97 5PY -0.00000 0.00000 0.00075 0.00000 0.00002 98 5PZ 0.00073 0.00000 -0.00000 -0.00016 -0.00731 99 6D 0 -0.00003 0.00000 0.00000 0.00064 0.00111 100 6D+1 -0.00000 0.00008 0.00000 0.00000 0.00000 101 6D-1 0.00000 0.00000 0.00009 -0.00000 -0.00000 102 6D+2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 103 6D-2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 104 7D 0 -0.00139 -0.00000 -0.00000 0.00052 0.00451 105 7D+1 -0.00000 0.00157 0.00000 -0.00000 0.00000 106 7D-1 -0.00000 0.00000 0.00172 0.00000 -0.00000 107 7D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 108 7D-2 0.00000 0.00000 0.00000 -0.00000 -0.00000 109 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 110 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 111 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 112 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 113 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 114 3S 0.00000 -0.00000 -0.00000 -0.00001 -0.00012 115 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 116 3PY 0.00000 -0.00000 -0.00000 -0.00002 -0.00015 117 3PZ 0.00000 -0.00000 -0.00000 -0.00004 -0.00044 118 4S -0.00008 0.00000 -0.00005 0.00026 0.00057 119 4PX 0.00000 -0.00011 -0.00000 -0.00000 -0.00000 120 4PY -0.00002 -0.00000 -0.00003 -0.00009 -0.00028 121 4PZ 0.00009 -0.00000 -0.00011 -0.00045 -0.00362 122 5S -0.00147 -0.00000 -0.00047 0.00022 0.01670 123 5PX -0.00000 -0.00017 0.00000 -0.00000 0.00000 124 5PY -0.00039 -0.00000 0.00037 0.00068 0.00401 125 5PZ -0.00025 0.00000 -0.00013 -0.00014 0.00368 126 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 127 6D+1 0.00000 0.00000 -0.00000 0.00000 0.00000 128 6D-1 0.00000 -0.00000 0.00000 0.00000 0.00000 129 6D+2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 130 6D-2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 131 7D 0 -0.00001 0.00000 -0.00001 0.00010 0.00027 132 7D+1 -0.00000 0.00001 -0.00000 0.00000 0.00000 133 7D-1 -0.00002 -0.00000 0.00000 0.00010 0.00030 134 7D+2 0.00000 -0.00000 0.00000 -0.00002 -0.00005 135 7D-2 -0.00000 0.00003 -0.00000 -0.00000 0.00000 136 6 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 -0.00003 142 3PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 143 3PY 0.00000 0.00000 -0.00000 -0.00000 -0.00006 144 3PZ 0.00000 0.00000 -0.00000 0.00000 -0.00002 145 4S 0.00000 -0.00000 -0.00007 -0.00006 -0.00022 146 4PX 0.00000 -0.00023 0.00000 0.00000 -0.00000 147 4PY 0.00008 0.00000 -0.00005 -0.00017 -0.00095 148 4PZ 0.00001 0.00000 -0.00014 0.00002 -0.00017 149 5S 0.00174 0.00000 -0.00058 0.00043 -0.02070 150 5PX 0.00000 -0.00022 0.00000 -0.00000 -0.00000 151 5PY 0.00015 0.00000 -0.00003 0.00030 -0.00098 152 5PZ 0.00050 0.00000 0.00008 0.00012 -0.00603 153 6D 0 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 154 6D+1 0.00000 -0.00000 -0.00000 0.00000 0.00000 155 6D-1 -0.00000 0.00000 -0.00000 0.00000 -0.00000 156 6D+2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 157 6D-2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 158 7D 0 0.00000 -0.00000 0.00000 -0.00001 -0.00001 159 7D+1 -0.00000 0.00000 -0.00000 0.00000 -0.00000 160 7D-1 0.00000 -0.00000 -0.00000 0.00000 -0.00008 161 7D+2 0.00000 0.00000 0.00001 -0.00000 0.00001 162 7D-2 0.00000 0.00000 0.00000 -0.00000 -0.00000 163 7 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 164 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 165 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00003 166 4PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 167 4PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 168 4PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 169 8 Mg 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S 0.00000 0.00000 0.00000 0.00000 0.00000 171 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 172 4S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 173 5S -0.00000 0.00000 0.00000 0.00001 0.00005 174 6S 0.00005 -0.00000 -0.00001 -0.00004 -0.00036 175 7S 0.00001 -0.00000 0.00000 -0.00000 -0.00009 176 7PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 177 7PY 0.00000 0.00000 -0.00000 0.00000 -0.00001 178 7PZ 0.00001 -0.00000 0.00000 -0.00000 -0.00011 179 8PX 0.00000 0.00000 0.00000 0.00000 -0.00000 180 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 182 9PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 183 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 9PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 185 10PX -0.00000 -0.00000 0.00000 0.00000 0.00000 186 10PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 187 10PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 188 11PX 0.00000 -0.00000 0.00000 0.00000 0.00000 189 11PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 190 11PZ -0.00000 0.00000 -0.00000 0.00002 0.00004 191 12PX -0.00000 0.00001 0.00000 -0.00000 0.00000 192 12PY 0.00001 -0.00000 -0.00000 -0.00002 -0.00009 193 12PZ -0.00011 -0.00000 0.00001 -0.00003 0.00122 194 13D 0 -0.00000 0.00000 -0.00000 0.00000 0.00000 195 13D+1 -0.00000 -0.00000 0.00000 0.00000 0.00000 196 13D-1 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 197 13D+2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 198 13D-2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 199 14D 0 -0.00001 0.00000 -0.00001 0.00002 0.00013 200 14D+1 -0.00000 -0.00000 -0.00000 0.00000 0.00000 201 14D-1 0.00000 -0.00000 -0.00000 -0.00001 -0.00003 202 14D+2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 203 14D-2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 204 9 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 205 2S 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 4S 0.00000 0.00000 0.00000 0.00000 0.00000 208 5S 0.00000 0.00000 0.00000 0.00000 0.00000 209 6S 0.00000 0.00000 0.00000 0.00000 0.00000 210 7S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 211 8S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 212 9S -0.00000 0.00000 0.00000 0.00000 0.00003 213 9PX -0.00000 -0.00000 0.00000 0.00000 0.00000 214 9PY -0.00000 0.00000 0.00000 0.00000 0.00000 215 9PZ -0.00000 0.00000 0.00000 0.00000 0.00004 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00000 0.00000 0.00000 0.00000 224 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 0.00000 0.00000 0.00000 -0.00000 227 13PZ 0.00000 0.00000 0.00000 0.00000 0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 -0.00000 229 14PY 0.00000 0.00000 0.00000 0.00000 0.00000 230 14PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 231 15PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 232 15PY 0.00000 0.00000 0.00000 0.00000 0.00000 233 15PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 234 16PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 235 16PY 0.00000 -0.00000 0.00000 0.00000 0.00000 236 16PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 237 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00000 0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 0.00000 0.00000 0.00000 -0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00000 0.00000 0.00000 0.00000 245 18D+2 0.00000 0.00000 0.00000 0.00000 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00000 0.00000 0.00000 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00000 0.00000 0.00000 0.00000 250 19D+2 0.00000 0.00000 0.00000 0.00000 -0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 252 20D 0 0.00000 0.00000 0.00000 0.00000 -0.00000 253 20D+1 0.00000 -0.00000 0.00000 0.00000 -0.00000 254 20D-1 0.00000 0.00000 -0.00000 -0.00000 -0.00000 255 20D+2 0.00000 -0.00000 0.00000 0.00000 0.00000 256 20D-2 0.00000 -0.00000 0.00000 -0.00000 0.00000 257 10 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00007 258 2S 0.00003 -0.00000 -0.00006 -0.00026 -0.00171 259 3S 0.00031 -0.00000 -0.00026 -0.00099 -0.00359 260 4PX -0.00000 0.00000 0.00000 -0.00000 0.00000 261 4PY 0.00000 0.00000 -0.00000 -0.00000 -0.00004 262 4PZ -0.00000 -0.00000 0.00000 0.00001 0.00003 263 11 H 1S -0.00035 0.00000 0.00624 0.00204 0.01578 264 2S -0.00422 0.00000 0.01527 0.00503 0.04839 265 3S 0.00030 0.00000 0.00224 0.00076 -0.00429 266 4PX -0.00000 0.00055 0.00000 -0.00000 0.00000 267 4PY -0.00069 0.00000 0.00128 0.00102 0.00540 268 4PZ -0.00023 -0.00000 0.00102 -0.00000 0.00179 269 12 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00006 270 2S 0.00002 -0.00000 -0.00009 -0.00020 -0.00146 271 3S 0.00022 -0.00000 -0.00027 -0.00070 -0.00246 272 4PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 273 4PY -0.00000 0.00000 0.00000 0.00000 0.00003 274 4PZ 0.00000 -0.00000 0.00000 0.00000 -0.00004 275 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 276 2S -0.00000 0.00000 0.00000 0.00000 0.00001 277 3S -0.00001 0.00000 0.00009 0.00001 0.00026 278 4PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 279 4PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 280 4PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 3PX 0.15892 62 3PY 0.00000 0.17119 63 3PZ 0.00000 -0.00000 0.17956 64 4S 0.00000 0.00000 0.00000 0.10992 65 4PX 0.08284 0.00000 0.00000 0.00000 0.10231 66 4PY 0.00000 0.05748 -0.00000 0.00000 0.00000 67 4PZ 0.00000 -0.00000 0.05791 0.00000 0.00000 68 5S 0.00000 0.00000 0.00000 0.05229 0.00000 69 5PX 0.00488 0.00000 0.00000 0.00000 0.01200 70 5PY 0.00000 -0.00147 0.00000 0.00000 0.00000 71 5PZ 0.00000 0.00000 0.00025 0.00000 0.00000 72 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 73 6D+1 0.00000 0.00000 0.00000 -0.00000 0.00000 74 6D-1 0.00000 0.00000 0.00000 -0.00000 0.00000 75 6D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 76 6D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 77 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 78 7D+1 0.00000 0.00000 0.00000 -0.00000 0.00000 79 7D-1 0.00000 0.00000 0.00000 -0.00000 0.00000 80 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 81 7D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 82 4 C 1S -0.00000 0.00000 -0.00177 -0.00038 -0.00000 83 2S -0.00000 -0.00000 -0.00310 -0.00100 -0.00000 84 2PX 0.00331 0.00000 0.00000 0.00000 0.00454 85 2PY 0.00000 0.00029 -0.00000 0.00000 0.00000 86 2PZ 0.00000 -0.00000 0.01974 0.00289 0.00000 87 3S 0.00000 0.00000 0.04231 0.01746 0.00000 88 3PX 0.01956 0.00000 0.00000 0.00000 0.02392 89 3PY 0.00000 0.00169 -0.00000 0.00001 0.00000 90 3PZ 0.00000 -0.00000 0.06131 0.01379 0.00000 91 4S 0.00000 -0.00000 0.01363 0.00694 0.00000 92 4PX 0.02473 0.00000 0.00000 0.00000 0.03811 93 4PY 0.00000 -0.00096 0.00002 0.00001 0.00000 94 4PZ 0.00000 -0.00000 0.01205 0.00858 0.00000 95 5S -0.00000 0.00003 -0.00971 -0.06044 -0.00000 96 5PX 0.00224 0.00000 -0.00000 0.00000 0.00492 97 5PY -0.00000 0.00416 0.00001 0.00005 -0.00000 98 5PZ 0.00000 -0.00001 -0.00100 0.00116 0.00000 99 6D 0 0.00000 0.00000 0.00153 0.00015 -0.00000 100 6D+1 0.00056 0.00000 0.00000 0.00000 0.00030 101 6D-1 0.00000 0.00053 0.00000 -0.00000 0.00000 102 6D+2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 103 6D-2 -0.00000 0.00000 -0.00000 -0.00000 0.00000 104 7D 0 0.00000 -0.00000 0.00068 0.00021 0.00000 105 7D+1 0.00596 0.00000 -0.00000 -0.00000 0.00433 106 7D-1 0.00000 0.00577 0.00001 -0.00000 0.00000 107 7D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 108 7D-2 0.00001 0.00000 -0.00000 -0.00000 0.00001 109 5 C 1S 0.00000 0.00000 0.00000 0.00008 0.00000 110 2S 0.00000 0.00000 0.00000 0.00015 0.00000 111 2PX -0.00000 -0.00000 -0.00000 0.00000 -0.00012 112 2PY -0.00000 -0.00000 -0.00002 0.00001 0.00000 113 2PZ -0.00000 -0.00000 -0.00004 0.00009 0.00000 114 3S -0.00000 -0.00009 -0.00040 -0.00321 -0.00000 115 3PX -0.00003 -0.00000 -0.00000 0.00000 -0.00082 116 3PY -0.00000 -0.00003 -0.00034 0.00002 0.00000 117 3PZ -0.00000 -0.00009 -0.00078 0.00062 0.00000 118 4S 0.00000 -0.00030 0.00149 -0.00529 0.00000 119 4PX -0.00070 -0.00000 -0.00000 0.00000 -0.00352 120 4PY 0.00000 -0.00006 -0.00034 0.00113 0.00000 121 4PZ -0.00000 -0.00075 -0.00209 0.00140 0.00000 122 5S -0.00000 -0.00272 0.00177 0.06383 0.00000 123 5PX -0.00109 0.00000 -0.00000 0.00000 -0.00237 124 5PY -0.00000 0.00218 0.00385 0.00411 -0.00000 125 5PZ 0.00000 -0.00069 -0.00062 -0.00420 0.00000 126 6D 0 0.00000 0.00000 0.00001 0.00000 0.00000 127 6D+1 0.00000 -0.00000 0.00000 0.00000 0.00001 128 6D-1 -0.00000 0.00000 0.00001 0.00001 -0.00000 129 6D+2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 130 6D-2 0.00000 -0.00000 -0.00000 0.00000 0.00003 131 7D 0 0.00000 -0.00008 0.00061 -0.00018 0.00000 132 7D+1 0.00012 -0.00000 0.00000 -0.00000 0.00028 133 7D-1 -0.00000 0.00003 0.00069 0.00020 -0.00000 134 7D+2 0.00000 -0.00000 -0.00012 0.00003 0.00000 135 7D-2 0.00032 -0.00000 -0.00000 0.00000 0.00089 136 6 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 -0.00023 139 2PY 0.00000 -0.00000 -0.00000 -0.00014 0.00000 140 2PZ 0.00000 -0.00000 0.00000 -0.00001 0.00000 141 3S -0.00000 -0.00006 -0.00003 0.00003 -0.00000 142 3PX -0.00008 0.00000 0.00000 -0.00000 -0.00182 143 3PY 0.00000 -0.00009 -0.00009 -0.00102 0.00000 144 3PZ 0.00000 -0.00009 0.00002 -0.00005 0.00000 145 4S -0.00000 -0.00056 -0.00040 0.00031 -0.00000 146 4PX -0.00183 0.00000 0.00000 -0.00000 -0.00791 147 4PY 0.00000 -0.00043 -0.00105 -0.00217 0.00000 148 4PZ 0.00000 -0.00089 0.00007 -0.00099 0.00000 149 5S 0.00000 -0.00352 0.00264 -0.01580 0.00000 150 5PX -0.00140 0.00000 -0.00000 -0.00000 -0.00452 151 5PY 0.00000 -0.00011 0.00161 -0.00898 0.00000 152 5PZ 0.00000 0.00033 0.00074 0.00172 -0.00000 153 6D 0 -0.00000 0.00000 -0.00000 0.00000 -0.00000 154 6D+1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 155 6D-1 0.00000 -0.00000 0.00000 0.00001 0.00000 156 6D+2 -0.00000 0.00000 -0.00000 0.00000 -0.00000 157 6D-2 0.00000 0.00000 -0.00000 0.00000 -0.00000 158 7D 0 -0.00000 0.00000 -0.00006 0.00003 -0.00000 159 7D+1 0.00001 -0.00000 0.00000 -0.00000 0.00004 160 7D-1 -0.00000 -0.00001 0.00001 0.00024 0.00000 161 7D+2 0.00000 0.00010 -0.00004 0.00010 0.00000 162 7D-2 0.00003 -0.00000 -0.00000 0.00000 0.00009 163 7 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 164 2S -0.00000 -0.00000 -0.00000 0.00006 0.00000 165 3S -0.00000 -0.00001 -0.00003 0.00030 -0.00000 166 4PX -0.00000 0.00000 0.00000 0.00000 -0.00000 167 4PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 168 4PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 169 8 Mg 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 170 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 171 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 172 4S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 173 5S 0.00000 0.00000 0.00012 -0.00063 -0.00000 174 6S -0.00000 -0.00007 -0.00030 -0.00401 -0.00000 175 7S -0.00000 0.00000 -0.00002 0.00032 0.00000 176 7PX 0.00001 -0.00000 -0.00000 0.00000 0.00003 177 7PY 0.00000 -0.00000 0.00000 0.00002 0.00000 178 7PZ -0.00000 0.00001 -0.00000 0.00075 0.00000 179 8PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 180 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 8PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 182 9PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 183 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 9PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 185 10PX -0.00000 0.00000 0.00000 0.00000 -0.00001 186 10PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 187 10PZ 0.00000 0.00000 0.00000 0.00002 0.00000 188 11PX -0.00001 0.00000 0.00000 -0.00000 -0.00010 189 11PY -0.00000 -0.00000 -0.00003 0.00000 0.00000 190 11PZ 0.00000 -0.00001 0.00014 -0.00045 0.00000 191 12PX 0.00007 0.00000 -0.00000 -0.00000 0.00014 192 12PY -0.00000 -0.00002 -0.00013 -0.00017 0.00000 193 12PZ -0.00000 0.00010 -0.00025 -0.00679 -0.00000 194 13D 0 0.00000 -0.00000 0.00000 -0.00002 -0.00000 195 13D+1 -0.00000 0.00000 0.00000 -0.00000 -0.00000 196 13D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 197 13D+2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 198 13D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 199 14D 0 0.00000 -0.00003 0.00011 -0.00089 -0.00000 200 14D+1 -0.00001 -0.00000 0.00000 -0.00000 -0.00011 201 14D-1 -0.00000 -0.00000 -0.00007 -0.00021 -0.00000 202 14D+2 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 203 14D-2 0.00001 -0.00000 -0.00000 0.00000 0.00004 204 9 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 205 2S 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 -0.00000 -0.00000 207 4S 0.00000 0.00000 0.00000 -0.00000 -0.00000 208 5S 0.00000 0.00000 0.00000 0.00000 0.00000 209 6S 0.00000 0.00000 0.00000 0.00000 0.00000 210 7S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 211 8S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 212 9S 0.00000 0.00000 0.00000 -0.00008 -0.00000 213 9PX -0.00000 0.00000 0.00000 -0.00000 -0.00001 214 9PY 0.00000 0.00000 0.00000 0.00001 0.00000 215 9PZ 0.00000 0.00000 -0.00000 -0.00012 -0.00000 216 10PX 0.00000 0.00000 0.00000 -0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 219 11PX 0.00000 0.00000 0.00000 -0.00000 0.00000 220 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 -0.00000 223 12PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 224 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 13PX -0.00000 0.00000 0.00000 0.00000 -0.00000 226 13PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 227 13PZ 0.00000 0.00000 0.00000 0.00000 0.00000 228 14PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 229 14PY 0.00000 -0.00000 0.00000 0.00000 0.00000 230 14PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 231 15PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 232 15PY 0.00000 -0.00000 0.00000 0.00000 0.00000 233 15PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 234 16PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 235 16PY 0.00000 0.00000 0.00000 0.00000 0.00000 236 16PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 237 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 -0.00000 -0.00000 239 17D-1 0.00000 0.00000 0.00000 -0.00000 -0.00000 240 17D+2 0.00000 0.00000 0.00000 0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 242 18D 0 -0.00000 0.00000 -0.00000 0.00000 0.00000 243 18D+1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 244 18D-1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 245 18D+2 0.00000 0.00000 0.00000 0.00000 0.00000 246 18D-2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 247 19D 0 0.00000 0.00000 0.00000 -0.00000 -0.00000 248 19D+1 -0.00000 0.00000 0.00000 -0.00000 -0.00000 249 19D-1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 250 19D+2 -0.00000 0.00000 -0.00000 0.00000 0.00000 251 19D-2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 252 20D 0 0.00000 0.00000 0.00000 -0.00000 -0.00000 253 20D+1 -0.00000 0.00000 0.00000 -0.00000 -0.00000 254 20D-1 0.00000 -0.00000 0.00000 0.00000 0.00000 255 20D+2 -0.00000 -0.00000 0.00000 0.00000 -0.00000 256 20D-2 -0.00000 0.00000 -0.00000 0.00000 -0.00000 257 10 H 1S -0.00000 -0.00003 -0.00020 -0.00002 0.00000 258 2S -0.00000 -0.00048 -0.00262 -0.00103 -0.00000 259 3S -0.00000 -0.00137 -0.00563 -0.00103 -0.00000 260 4PX 0.00005 0.00000 -0.00000 0.00000 0.00028 261 4PY 0.00000 -0.00000 -0.00004 -0.00002 0.00000 262 4PZ -0.00000 0.00001 0.00020 0.00010 -0.00000 263 11 H 1S 0.00000 0.02986 0.00977 0.01274 0.00000 264 2S 0.00000 0.05695 0.01872 0.03925 0.00000 265 3S 0.00000 0.01061 0.00356 0.00271 0.00000 266 4PX 0.00242 0.00000 0.00000 0.00000 0.00199 267 4PY 0.00000 0.00189 0.00231 0.00163 -0.00000 268 4PZ 0.00000 0.00230 0.00013 0.00051 0.00000 269 12 H 1S -0.00000 -0.00007 -0.00013 -0.00061 -0.00000 270 2S -0.00000 -0.00100 -0.00189 -0.00355 -0.00000 271 3S -0.00000 -0.00161 -0.00391 -0.00341 -0.00000 272 4PX 0.00004 0.00000 -0.00000 -0.00000 0.00027 273 4PY 0.00000 0.00005 0.00007 0.00006 0.00000 274 4PZ -0.00000 0.00001 0.00001 -0.00010 0.00000 275 13 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 276 2S 0.00000 0.00002 0.00000 0.00003 -0.00000 277 3S 0.00000 0.00069 0.00006 0.00031 0.00000 278 4PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 279 4PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 280 4PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 66 67 68 69 70 66 4PY 0.04814 67 4PZ 0.00000 0.04721 68 5S 0.00000 0.00000 0.39376 69 5PX 0.00000 0.00000 0.00000 0.00425 70 5PY -0.00032 0.00000 0.00000 -0.00000 0.03163 71 5PZ 0.00000 0.00153 0.00000 0.00000 -0.00000 72 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 75 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 80 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S 0.00000 -0.00176 -0.00054 0.00000 -0.00000 83 2S 0.00000 -0.00325 -0.00042 0.00000 -0.00000 84 2PX 0.00000 0.00000 0.00000 0.00020 -0.00000 85 2PY -0.00030 0.00000 -0.00000 0.00000 0.00028 86 2PZ -0.00000 0.00336 0.00145 -0.00000 0.00000 87 3S 0.00002 0.03497 -0.00334 -0.00000 0.00002 88 3PX 0.00000 0.00000 0.00000 0.00123 -0.00000 89 3PY -0.00122 0.00000 -0.00002 0.00000 0.00158 90 3PZ -0.00001 0.01060 0.00792 -0.00000 0.00001 91 4S 0.00000 0.01118 -0.02121 -0.00000 0.00001 92 4PX 0.00000 0.00000 0.00000 0.00306 0.00000 93 4PY -0.00377 0.00002 -0.00002 -0.00000 0.00317 94 4PZ -0.00001 0.00017 0.01682 -0.00000 0.00000 95 5S 0.00006 -0.01502 -0.32033 -0.00000 -0.00007 96 5PX 0.00000 -0.00000 -0.00000 -0.00008 -0.00000 97 5PY 0.00460 0.00001 -0.00001 0.00000 -0.03291 98 5PZ -0.00001 -0.00193 -0.05207 0.00000 0.00005 99 6D 0 -0.00000 -0.00003 0.00003 -0.00000 0.00000 100 6D+1 0.00000 -0.00000 0.00000 0.00001 0.00000 101 6D-1 0.00022 -0.00000 0.00000 0.00000 -0.00000 102 6D+2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 103 6D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 104 7D 0 -0.00000 -0.00026 0.00055 -0.00000 -0.00000 105 7D+1 0.00000 -0.00000 0.00000 0.00024 0.00000 106 7D-1 0.00294 0.00000 0.00000 -0.00000 0.00016 107 7D+2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 108 7D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 109 5 C 1S 0.00004 0.00000 -0.00018 -0.00000 0.00009 110 2S 0.00009 0.00008 -0.00045 -0.00000 0.00020 111 2PX 0.00000 -0.00000 -0.00000 -0.00020 -0.00000 112 2PY -0.00001 -0.00001 0.00045 -0.00000 -0.00000 113 2PZ 0.00003 -0.00040 -0.00160 0.00000 0.00026 114 3S -0.00192 -0.00311 0.00797 0.00000 -0.00333 115 3PX 0.00000 0.00000 -0.00000 -0.00126 -0.00000 116 3PY -0.00002 -0.00006 0.00257 -0.00000 -0.00005 117 3PZ 0.00018 -0.00204 -0.00983 0.00000 0.00153 118 4S -0.00254 0.00324 0.04792 0.00000 -0.00307 119 4PX 0.00000 0.00000 -0.00000 -0.00363 -0.00000 120 4PY 0.00021 0.00093 0.00659 -0.00000 0.00065 121 4PZ 0.00033 -0.00279 -0.02694 0.00000 0.00179 122 5S 0.00003 0.01071 0.05485 -0.00000 0.05465 123 5PX 0.00000 -0.00000 -0.00000 0.00005 0.00000 124 5PY 0.00476 0.00528 0.00545 0.00000 -0.01506 125 5PZ -0.00210 -0.00069 -0.01535 0.00000 -0.00653 126 6D 0 -0.00000 0.00001 0.00001 0.00000 0.00000 127 6D+1 -0.00000 0.00000 0.00000 -0.00000 0.00000 128 6D-1 0.00000 0.00003 0.00002 -0.00000 -0.00000 129 6D+2 0.00000 -0.00001 -0.00001 -0.00000 0.00000 130 6D-2 -0.00000 -0.00000 0.00000 0.00000 -0.00000 131 7D 0 -0.00031 0.00022 0.00066 -0.00000 -0.00007 132 7D+1 -0.00000 0.00000 0.00000 0.00001 -0.00000 133 7D-1 0.00000 0.00043 0.00011 0.00000 -0.00008 134 7D+2 -0.00006 -0.00009 -0.00015 -0.00000 -0.00002 135 7D-2 -0.00000 -0.00000 -0.00000 0.00010 0.00000 136 6 C 1S 0.00002 0.00002 0.00151 0.00000 0.00040 137 2S 0.00004 0.00003 0.00224 0.00000 0.00050 138 2PX 0.00000 0.00000 0.00000 -0.00024 0.00000 139 2PY -0.00013 -0.00015 -0.00002 0.00000 0.00002 140 2PZ -0.00010 0.00003 0.00054 -0.00000 -0.00008 141 3S -0.00062 -0.00038 -0.02526 -0.00000 -0.00317 142 3PX 0.00000 0.00000 0.00000 -0.00153 0.00000 143 3PY -0.00090 -0.00101 -0.00055 0.00000 0.00012 144 3PZ -0.00062 0.00014 0.00309 -0.00000 -0.00048 145 4S -0.00154 -0.00102 -0.02506 -0.00000 -0.00844 146 4PX 0.00000 0.00000 0.00000 -0.00467 0.00000 147 4PY -0.00101 -0.00229 -0.00128 0.00000 0.00011 148 4PZ -0.00209 0.00001 0.00855 -0.00000 -0.00205 149 5S -0.00398 0.00685 -0.08817 -0.00000 -0.00583 150 5PX 0.00000 -0.00000 -0.00000 -0.00296 0.00000 151 5PY -0.00059 0.00146 0.00315 -0.00000 0.00031 152 5PZ 0.00253 0.00010 -0.01346 -0.00000 -0.00124 153 6D 0 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 154 6D+1 -0.00000 0.00000 0.00000 -0.00000 -0.00000 155 6D-1 0.00000 0.00000 -0.00000 -0.00000 0.00000 156 6D+2 0.00000 -0.00001 -0.00002 -0.00000 -0.00000 157 6D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 158 7D 0 -0.00003 -0.00013 -0.00011 -0.00000 -0.00011 159 7D+1 -0.00000 0.00000 0.00000 0.00002 -0.00000 160 7D-1 0.00011 0.00001 -0.00043 0.00000 0.00006 161 7D+2 0.00012 -0.00009 -0.00015 -0.00000 -0.00003 162 7D-2 0.00000 -0.00000 -0.00000 -0.00004 0.00000 163 7 H 1S 0.00001 0.00000 -0.00143 -0.00000 -0.00008 164 2S 0.00006 0.00002 -0.00595 -0.00000 -0.00051 165 3S 0.00014 -0.00012 -0.00551 -0.00000 0.00128 166 4PX 0.00000 0.00000 -0.00000 -0.00002 -0.00000 167 4PY 0.00000 -0.00000 -0.00022 -0.00000 -0.00002 168 4PZ -0.00000 0.00000 -0.00003 0.00000 -0.00002 169 8 Mg 1S 0.00000 0.00000 0.00001 0.00000 0.00000 170 2S 0.00000 0.00000 0.00006 0.00000 0.00002 171 3S -0.00000 -0.00000 -0.00054 -0.00000 -0.00014 172 4S -0.00000 -0.00001 -0.00142 -0.00000 -0.00015 173 5S -0.00016 0.00022 0.01298 0.00000 -0.00503 174 6S -0.00048 -0.00259 -0.01097 0.00000 -0.00694 175 7S 0.00003 0.00006 0.00005 -0.00000 0.00031 176 7PX -0.00000 0.00000 -0.00000 0.00004 -0.00000 177 7PY -0.00000 0.00001 0.00010 -0.00000 0.00019 178 7PZ 0.00006 0.00004 -0.00211 0.00000 0.00044 179 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY -0.00000 0.00000 0.00000 -0.00000 -0.00001 181 8PZ 0.00000 0.00000 0.00008 0.00000 0.00001 182 9PX 0.00000 0.00000 0.00000 0.00002 0.00000 183 9PY -0.00000 0.00000 0.00000 -0.00000 -0.00017 184 9PZ 0.00000 0.00000 0.00093 0.00000 0.00011 185 10PX 0.00000 0.00000 0.00000 -0.00004 0.00000 186 10PY 0.00000 0.00001 0.00018 0.00000 -0.00000 187 10PZ 0.00000 0.00017 0.00363 0.00000 0.00036 188 11PX 0.00000 0.00000 0.00000 -0.00028 0.00000 189 11PY -0.00001 -0.00005 0.00027 0.00000 0.00053 190 11PZ -0.00011 0.00017 0.00045 0.00000 -0.00145 191 12PX 0.00000 -0.00000 -0.00000 -0.00016 0.00000 192 12PY -0.00005 -0.00027 -0.00090 0.00000 -0.00011 193 12PZ -0.00072 -0.00300 0.00166 0.00000 -0.00816 194 13D 0 -0.00001 -0.00002 0.00017 0.00000 -0.00017 195 13D+1 -0.00000 0.00000 0.00000 -0.00002 -0.00000 196 13D-1 -0.00000 -0.00001 -0.00004 0.00000 -0.00004 197 13D+2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 198 13D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 199 14D 0 -0.00029 -0.00032 0.00175 0.00000 -0.00181 200 14D+1 -0.00000 -0.00000 0.00000 -0.00027 -0.00000 201 14D-1 0.00000 -0.00033 -0.00109 0.00000 -0.00061 202 14D+2 -0.00000 -0.00001 -0.00003 -0.00000 -0.00002 203 14D-2 -0.00000 -0.00000 -0.00000 0.00002 -0.00000 204 9 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 205 2S 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 207 4S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 208 5S 0.00000 0.00000 0.00000 0.00000 0.00000 209 6S 0.00000 0.00000 0.00001 0.00000 0.00000 210 7S -0.00000 -0.00000 -0.00007 -0.00000 -0.00002 211 8S 0.00000 -0.00000 -0.00025 -0.00000 -0.00000 212 9S -0.00001 -0.00009 0.00046 0.00000 -0.00040 213 9PX -0.00000 -0.00000 0.00000 0.00000 0.00000 214 9PY 0.00000 0.00002 0.00015 -0.00000 0.00010 215 9PZ -0.00001 -0.00011 0.00060 0.00000 -0.00037 216 10PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 219 11PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 220 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 222 12PX 0.00000 0.00000 -0.00000 0.00000 0.00000 223 12PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 224 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 13PX 0.00000 0.00000 -0.00000 0.00000 0.00000 226 13PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 227 13PZ 0.00000 0.00000 0.00000 0.00000 0.00000 228 14PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 229 14PY 0.00000 0.00000 0.00000 0.00000 0.00000 230 14PZ -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 231 15PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 232 15PY 0.00000 0.00000 0.00004 0.00000 0.00003 233 15PZ -0.00000 -0.00000 -0.00010 -0.00000 -0.00011 234 16PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 235 16PY -0.00000 0.00000 0.00020 0.00000 0.00015 236 16PZ -0.00000 -0.00001 -0.00063 -0.00000 -0.00032 237 17D 0 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 238 17D+1 0.00000 -0.00000 -0.00000 0.00000 0.00000 239 17D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 240 17D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 241 17D-2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 242 18D 0 0.00000 -0.00000 -0.00000 -0.00000 0.00000 243 18D+1 0.00000 -0.00000 -0.00000 0.00000 0.00000 244 18D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 245 18D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 246 18D-2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 247 19D 0 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 248 19D+1 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 249 19D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 250 19D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 251 19D-2 0.00000 -0.00000 0.00000 -0.00000 0.00000 252 20D 0 -0.00000 -0.00000 -0.00002 -0.00000 -0.00001 253 20D+1 0.00000 -0.00000 0.00000 -0.00000 -0.00000 254 20D-1 -0.00000 0.00000 0.00001 0.00000 0.00001 255 20D+2 0.00000 0.00000 -0.00000 -0.00000 0.00000 256 20D-2 0.00000 0.00000 0.00000 -0.00000 -0.00000 257 10 H 1S -0.00074 -0.00095 -0.00734 -0.00000 0.00050 258 2S -0.00279 -0.00402 -0.02816 -0.00000 0.00201 259 3S -0.00291 -0.00790 -0.03400 -0.00000 0.00121 260 4PX 0.00000 -0.00000 0.00000 0.00003 -0.00000 261 4PY 0.00001 -0.00003 -0.00019 -0.00000 -0.00005 262 4PZ -0.00002 0.00027 -0.00012 0.00000 -0.00000 263 11 H 1S 0.01661 0.00547 0.00531 0.00000 -0.00000 264 2S 0.04162 0.01381 0.01746 0.00000 -0.00033 265 3S 0.01189 0.00390 -0.00029 0.00000 -0.00079 266 4PX -0.00000 0.00000 0.00000 0.00015 0.00000 267 4PY -0.00032 0.00056 0.00020 -0.00000 -0.00001 268 4PZ 0.00056 0.00005 0.00012 0.00000 -0.00001 269 12 H 1S -0.00037 -0.00170 -0.00608 0.00000 -0.00044 270 2S -0.00156 -0.00671 -0.02284 0.00000 -0.00183 271 3S -0.00211 -0.00674 -0.01049 0.00000 -0.00014 272 4PX 0.00000 0.00000 -0.00000 0.00006 -0.00000 273 4PY 0.00002 0.00012 -0.00002 0.00000 0.00002 274 4PZ 0.00004 -0.00009 -0.00040 -0.00000 -0.00005 275 13 H 1S 0.00007 0.00001 0.00160 0.00000 0.00100 276 2S 0.00055 0.00009 0.00605 0.00000 0.00416 277 3S 0.00201 0.00021 -0.00046 -0.00000 0.00313 278 4PX 0.00000 -0.00000 -0.00000 -0.00001 0.00000 279 4PY -0.00000 0.00000 0.00023 0.00000 0.00009 280 4PZ 0.00000 -0.00000 0.00002 0.00000 0.00001 71 72 73 74 75 71 5PZ 0.07732 72 6D 0 0.00000 0.00061 73 6D+1 0.00000 0.00000 0.00018 74 6D-1 0.00000 0.00000 0.00000 0.00066 75 6D+2 0.00000 0.00000 0.00000 -0.00000 0.00032 76 6D-2 0.00000 0.00000 -0.00000 0.00000 0.00000 77 7D 0 0.00000 0.00021 0.00000 -0.00000 -0.00000 78 7D+1 0.00000 0.00000 0.00024 0.00000 0.00000 79 7D-1 0.00000 -0.00000 0.00000 0.00027 -0.00000 80 7D+2 0.00000 0.00000 0.00000 -0.00000 0.00004 81 7D-2 0.00000 0.00000 -0.00000 0.00000 -0.00000 82 4 C 1S 0.00046 -0.00002 -0.00000 -0.00000 0.00000 83 2S 0.00068 -0.00003 -0.00000 -0.00000 0.00000 84 2PX 0.00000 0.00000 0.00008 0.00000 0.00000 85 2PY 0.00000 -0.00000 0.00000 0.00009 0.00000 86 2PZ -0.00002 0.00061 0.00000 0.00000 -0.00000 87 3S -0.00628 0.00107 0.00000 0.00000 -0.00000 88 3PX 0.00000 0.00000 0.00055 0.00000 0.00000 89 3PY 0.00000 -0.00000 0.00000 0.00054 0.00000 90 3PZ -0.00004 0.00147 0.00000 0.00000 -0.00000 91 4S -0.01106 0.00015 0.00000 -0.00000 -0.00000 92 4PX -0.00000 -0.00000 0.00031 0.00000 0.00000 93 4PY 0.00001 0.00000 0.00000 0.00021 0.00000 94 4PZ -0.00243 -0.00003 -0.00000 0.00000 -0.00000 95 5S -0.02975 -0.00001 -0.00000 -0.00000 -0.00000 96 5PX 0.00000 -0.00000 0.00001 -0.00000 0.00000 97 5PY -0.00005 0.00000 -0.00000 -0.00002 0.00000 98 5PZ 0.05471 -0.00001 0.00000 -0.00000 -0.00000 99 6D 0 -0.00001 0.00010 0.00000 0.00000 -0.00000 100 6D+1 0.00000 0.00000 0.00000 -0.00000 -0.00000 101 6D-1 -0.00000 0.00000 -0.00000 -0.00005 0.00000 102 6D+2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 103 6D-2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 104 7D 0 -0.00055 0.00001 -0.00000 -0.00000 0.00000 105 7D+1 0.00000 -0.00000 -0.00002 0.00000 -0.00000 106 7D-1 -0.00000 0.00000 -0.00000 -0.00012 0.00000 107 7D+2 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 108 7D-2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 109 5 C 1S -0.00025 -0.00000 -0.00000 -0.00000 -0.00000 110 2S -0.00058 -0.00000 0.00000 0.00000 0.00000 111 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 112 2PY 0.00018 -0.00000 -0.00000 0.00000 0.00000 113 2PZ -0.00038 -0.00000 -0.00000 0.00000 0.00000 114 3S 0.00908 -0.00000 0.00000 0.00000 -0.00000 115 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 116 3PY 0.00090 -0.00000 -0.00000 0.00001 0.00000 117 3PZ -0.00185 -0.00000 -0.00000 0.00002 0.00000 118 4S 0.02611 0.00001 0.00000 0.00001 -0.00000 119 4PX 0.00000 -0.00000 0.00005 0.00000 0.00000 120 4PY 0.00296 -0.00000 -0.00000 0.00001 -0.00000 121 4PZ -0.00130 0.00000 -0.00000 0.00005 -0.00000 122 5S -0.08263 0.00001 0.00000 0.00003 0.00000 123 5PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 124 5PY -0.00945 0.00001 0.00000 -0.00002 0.00000 125 5PZ -0.00106 0.00000 -0.00000 0.00000 0.00000 126 6D 0 -0.00000 0.00000 0.00000 0.00000 -0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00000 -0.00000 0.00000 -0.00000 129 6D+2 -0.00000 -0.00000 0.00000 0.00000 0.00000 130 6D-2 -0.00000 -0.00000 0.00000 0.00000 0.00000 131 7D 0 -0.00033 0.00000 0.00000 0.00000 -0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 133 7D-1 -0.00002 0.00001 -0.00000 0.00000 -0.00000 134 7D+2 -0.00007 -0.00000 -0.00000 -0.00000 0.00000 135 7D-2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 136 6 C 1S 0.00011 0.00000 -0.00000 0.00000 0.00000 137 2S 0.00025 -0.00000 0.00000 -0.00000 -0.00000 138 2PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 139 2PY -0.00002 0.00000 -0.00000 -0.00000 0.00000 140 2PZ -0.00019 -0.00000 0.00000 0.00000 -0.00000 141 3S -0.00434 0.00000 0.00000 -0.00000 -0.00000 142 3PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 143 3PY -0.00024 0.00000 -0.00000 -0.00000 0.00000 144 3PZ -0.00124 -0.00000 0.00000 0.00000 -0.00000 145 4S 0.00003 0.00000 -0.00000 0.00000 0.00000 146 4PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 147 4PY -0.00047 -0.00000 -0.00000 -0.00000 0.00000 148 4PZ -0.00448 -0.00000 0.00000 0.00000 -0.00000 149 5S -0.00410 -0.00000 0.00000 0.00002 -0.00002 150 5PX -0.00000 0.00000 0.00000 0.00000 -0.00000 151 5PY 0.00047 0.00000 0.00000 -0.00000 0.00000 152 5PZ -0.00334 0.00000 -0.00000 0.00000 -0.00000 153 6D 0 -0.00002 -0.00000 -0.00000 0.00000 0.00000 154 6D+1 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 155 6D-1 0.00000 0.00000 -0.00000 0.00000 0.00000 156 6D+2 -0.00001 0.00000 -0.00000 0.00000 0.00000 157 6D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 -0.00055 -0.00000 -0.00000 0.00000 -0.00000 159 7D+1 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 160 7D-1 0.00021 0.00000 -0.00000 0.00000 0.00000 161 7D+2 -0.00013 -0.00000 -0.00000 0.00000 0.00000 162 7D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S -0.00063 0.00000 0.00000 0.00000 0.00000 164 2S -0.00227 0.00000 0.00000 0.00000 0.00000 165 3S -0.00327 0.00000 0.00000 0.00000 0.00000 166 4PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 167 4PY -0.00007 0.00000 -0.00000 0.00000 0.00000 168 4PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 169 8 Mg 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S 0.00001 0.00000 0.00000 0.00000 0.00000 171 3S -0.00013 -0.00000 0.00000 0.00000 0.00000 172 4S -0.00099 -0.00000 0.00000 0.00000 0.00000 173 5S 0.02579 0.00000 -0.00000 -0.00000 -0.00000 174 6S 0.01538 -0.00000 -0.00000 -0.00000 -0.00000 175 7S -0.00089 -0.00000 -0.00000 -0.00000 0.00000 176 7PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 177 7PY 0.00017 -0.00000 0.00000 0.00000 0.00000 178 7PZ -0.00053 0.00000 0.00000 0.00000 0.00000 179 8PX -0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY -0.00005 0.00000 0.00000 0.00000 0.00000 181 8PZ 0.00002 0.00000 0.00000 0.00000 0.00000 182 9PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 183 9PY -0.00052 0.00000 0.00000 -0.00000 0.00000 184 9PZ 0.00027 -0.00000 0.00000 0.00000 0.00000 185 10PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 186 10PY 0.00025 -0.00000 -0.00000 0.00000 0.00000 187 10PZ 0.00192 0.00000 -0.00000 -0.00000 -0.00000 188 11PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 189 11PY 0.00147 -0.00000 -0.00000 0.00000 -0.00000 190 11PZ 0.00395 0.00000 -0.00000 -0.00000 -0.00000 191 12PX 0.00000 -0.00000 0.00000 0.00000 0.00000 192 12PY -0.00054 -0.00000 -0.00000 0.00000 -0.00000 193 12PZ 0.01459 -0.00000 -0.00000 0.00000 0.00000 194 13D 0 0.00034 -0.00000 -0.00000 -0.00000 0.00000 195 13D+1 0.00000 -0.00000 0.00000 -0.00000 0.00000 196 13D-1 -0.00015 -0.00000 -0.00000 0.00000 0.00000 197 13D+2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 198 13D-2 -0.00000 -0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00239 0.00000 -0.00000 -0.00000 -0.00000 200 14D+1 0.00000 -0.00000 0.00000 -0.00000 0.00000 201 14D-1 -0.00163 -0.00000 -0.00000 0.00000 -0.00000 202 14D+2 -0.00004 -0.00000 0.00000 0.00000 0.00000 203 14D-2 -0.00000 -0.00000 0.00000 0.00000 0.00000 204 9 Br 1S -0.00000 0.00000 0.00000 0.00000 0.00000 205 2S -0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 4S 0.00000 0.00000 0.00000 0.00000 0.00000 208 5S -0.00000 0.00000 0.00000 0.00000 0.00000 209 6S -0.00000 0.00000 0.00000 0.00000 0.00000 210 7S -0.00001 -0.00000 -0.00000 0.00000 0.00000 211 8S -0.00029 -0.00000 0.00000 0.00000 0.00000 212 9S 0.00209 0.00000 -0.00000 0.00000 0.00000 213 9PX 0.00000 0.00000 -0.00000 0.00000 0.00000 214 9PY 0.00033 0.00000 0.00000 -0.00000 0.00000 215 9PZ 0.00171 0.00000 -0.00000 0.00000 0.00000 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000 222 12PX -0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY -0.00000 0.00000 0.00000 0.00000 0.00000 224 12PZ -0.00000 0.00000 0.00000 0.00000 0.00000 225 13PX -0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY -0.00000 0.00000 0.00000 0.00000 0.00000 227 13PZ -0.00001 0.00000 0.00000 0.00000 0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00002 0.00000 0.00000 0.00000 0.00000 230 14PZ 0.00003 0.00000 0.00000 0.00000 0.00000 231 15PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 232 15PY 0.00023 0.00000 0.00000 0.00000 -0.00000 233 15PZ 0.00027 -0.00000 0.00000 0.00000 0.00000 234 16PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 235 16PY 0.00087 0.00000 0.00000 -0.00000 0.00000 236 16PZ 0.00050 -0.00000 0.00000 0.00000 0.00000 237 17D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 238 17D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 -0.00000 0.00000 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00000 0.00000 0.00000 241 17D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 243 18D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 -0.00000 0.00000 0.00000 0.00000 0.00000 245 18D+2 0.00000 0.00000 0.00000 0.00000 0.00000 246 18D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00000 0.00000 0.00000 0.00000 248 19D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 -0.00000 0.00000 0.00000 0.00000 0.00000 250 19D+2 0.00000 0.00000 0.00000 0.00000 0.00000 251 19D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00002 0.00000 0.00000 0.00000 -0.00000 253 20D+1 0.00000 -0.00000 0.00000 -0.00000 0.00000 254 20D-1 0.00003 -0.00000 -0.00000 -0.00000 -0.00000 255 20D+2 0.00000 0.00000 0.00000 -0.00000 -0.00000 256 20D-2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 257 10 H 1S -0.00105 -0.00000 -0.00000 0.00000 0.00000 258 2S -0.00292 -0.00002 -0.00000 0.00008 0.00000 259 3S -0.00560 -0.00003 -0.00000 0.00004 0.00000 260 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 261 4PY -0.00001 -0.00000 0.00000 0.00000 -0.00000 262 4PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 263 11 H 1S 0.00046 0.00004 -0.00000 0.00069 0.00035 264 2S 0.00194 0.00004 -0.00000 0.00066 0.00031 265 3S 0.00141 0.00000 0.00000 0.00005 0.00001 266 4PX 0.00000 0.00000 -0.00001 -0.00000 0.00000 267 4PY 0.00001 -0.00001 -0.00000 0.00008 0.00004 268 4PZ -0.00003 -0.00003 0.00000 -0.00000 0.00002 269 12 H 1S 0.00075 0.00000 0.00000 0.00000 -0.00000 270 2S 0.00181 0.00004 0.00000 0.00002 -0.00002 271 3S 0.00093 0.00003 0.00000 -0.00001 -0.00001 272 4PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 273 4PY -0.00001 -0.00000 -0.00000 0.00000 0.00000 274 4PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 275 13 H 1S 0.00001 -0.00000 -0.00000 0.00000 -0.00000 276 2S 0.00017 -0.00000 0.00000 0.00000 -0.00000 277 3S 0.00073 -0.00000 -0.00000 0.00000 0.00000 278 4PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 279 4PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 280 4PZ 0.00002 -0.00000 -0.00000 -0.00000 -0.00000 76 77 78 79 80 76 6D-2 0.00013 77 7D 0 0.00000 0.00105 78 7D+1 -0.00000 0.00000 0.00158 79 7D-1 0.00000 -0.00000 0.00000 0.00180 80 7D+2 0.00000 0.00000 0.00000 -0.00000 0.00033 81 7D-2 0.00013 0.00000 -0.00000 0.00000 -0.00000 82 4 C 1S 0.00000 -0.00109 -0.00000 0.00000 0.00000 83 2S 0.00000 -0.00145 -0.00000 0.00000 0.00000 84 2PX 0.00000 -0.00000 0.00154 0.00000 0.00000 85 2PY 0.00000 -0.00000 0.00000 0.00164 -0.00000 86 2PZ -0.00000 0.00022 -0.00000 -0.00000 -0.00000 87 3S -0.00000 0.00489 0.00000 -0.00000 0.00000 88 3PX 0.00000 0.00000 0.00583 0.00000 0.00000 89 3PY 0.00000 -0.00000 0.00000 0.00554 -0.00000 90 3PZ -0.00000 0.00030 -0.00000 -0.00000 -0.00000 91 4S -0.00000 0.00087 0.00000 -0.00000 0.00000 92 4PX 0.00000 0.00000 0.00440 0.00000 0.00000 93 4PY 0.00000 -0.00000 0.00000 0.00225 -0.00000 94 4PZ -0.00000 0.00001 -0.00000 0.00000 -0.00000 95 5S -0.00000 0.00012 -0.00000 -0.00000 0.00000 96 5PX -0.00000 -0.00000 0.00034 0.00000 0.00000 97 5PY -0.00000 0.00000 0.00000 0.00011 0.00000 98 5PZ 0.00000 -0.00021 -0.00000 0.00000 -0.00000 99 6D 0 -0.00000 0.00000 -0.00000 0.00000 -0.00000 100 6D+1 0.00000 0.00000 -0.00002 -0.00000 -0.00000 101 6D-1 -0.00000 0.00000 -0.00000 -0.00017 0.00000 102 6D+2 -0.00000 0.00000 -0.00000 0.00000 0.00001 103 6D-2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 104 7D 0 -0.00000 0.00007 0.00000 0.00000 -0.00000 105 7D+1 0.00000 -0.00000 -0.00024 -0.00000 -0.00000 106 7D-1 -0.00000 -0.00000 -0.00000 -0.00063 0.00000 107 7D+2 0.00000 0.00000 -0.00000 0.00000 0.00004 108 7D-2 -0.00001 0.00000 -0.00000 -0.00000 0.00000 109 5 C 1S -0.00000 0.00000 -0.00000 -0.00004 0.00000 110 2S 0.00000 0.00001 -0.00000 -0.00005 0.00000 111 2PX -0.00000 -0.00000 0.00005 -0.00000 0.00000 112 2PY 0.00000 0.00002 -0.00000 0.00006 -0.00000 113 2PZ 0.00000 0.00008 -0.00000 -0.00006 0.00000 114 3S 0.00000 -0.00025 0.00000 0.00109 0.00003 115 3PX -0.00000 -0.00000 0.00052 -0.00000 0.00000 116 3PY 0.00000 0.00017 0.00000 0.00034 0.00000 117 3PZ 0.00000 0.00050 -0.00000 -0.00044 0.00001 118 4S -0.00000 -0.00049 0.00000 0.00164 0.00001 119 4PX -0.00001 -0.00000 0.00140 -0.00000 0.00000 120 4PY 0.00000 0.00022 -0.00000 0.00002 0.00002 121 4PZ 0.00000 0.00026 -0.00000 -0.00091 -0.00003 122 5S 0.00000 0.00049 0.00000 -0.00052 -0.00003 123 5PX -0.00000 0.00000 -0.00005 -0.00000 -0.00000 124 5PY 0.00000 -0.00005 0.00000 -0.00018 0.00002 125 5PZ 0.00000 0.00006 -0.00000 -0.00000 -0.00001 126 6D 0 -0.00000 0.00000 0.00000 0.00000 -0.00000 127 6D+1 0.00000 -0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00001 0.00000 0.00001 -0.00000 129 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 130 6D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 131 7D 0 -0.00000 0.00000 0.00000 0.00026 -0.00001 132 7D+1 0.00000 -0.00000 0.00000 0.00000 -0.00000 133 7D-1 -0.00000 0.00002 -0.00000 0.00003 0.00000 134 7D+2 0.00000 0.00003 -0.00000 0.00001 0.00000 135 7D-2 0.00000 -0.00000 0.00010 -0.00000 0.00000 136 6 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 -0.00001 0.00001 140 2PZ 0.00000 -0.00000 0.00000 0.00001 -0.00000 141 3S -0.00000 -0.00001 -0.00000 -0.00015 0.00001 142 3PX -0.00000 -0.00000 0.00001 -0.00000 0.00000 143 3PY 0.00000 0.00000 -0.00000 -0.00009 0.00007 144 3PZ 0.00000 -0.00004 0.00000 0.00005 -0.00002 145 4S 0.00000 -0.00002 0.00000 -0.00010 -0.00001 146 4PX -0.00000 -0.00000 0.00003 0.00000 0.00000 147 4PY 0.00000 -0.00000 -0.00000 -0.00016 0.00006 148 4PZ 0.00000 -0.00003 0.00000 0.00007 -0.00004 149 5S 0.00000 -0.00004 0.00000 0.00005 0.00001 150 5PX -0.00000 -0.00000 0.00005 0.00000 0.00000 151 5PY -0.00000 -0.00008 -0.00000 0.00007 -0.00001 152 5PZ 0.00000 -0.00033 0.00000 0.00016 -0.00001 153 6D 0 0.00000 0.00000 -0.00000 -0.00000 0.00000 154 6D+1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 155 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 156 6D+2 0.00000 0.00000 -0.00000 -0.00000 0.00000 157 6D-2 -0.00000 0.00000 0.00000 -0.00000 0.00000 158 7D 0 0.00000 0.00004 -0.00000 -0.00004 0.00000 159 7D+1 0.00000 -0.00000 -0.00002 0.00000 -0.00000 160 7D-1 0.00000 -0.00002 -0.00000 -0.00005 0.00004 161 7D+2 0.00000 0.00001 -0.00000 -0.00001 0.00000 162 7D-2 -0.00000 0.00000 0.00005 -0.00000 0.00000 163 7 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 164 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 165 3S 0.00000 -0.00000 0.00000 0.00001 0.00001 166 4PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 167 4PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 168 4PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 169 8 Mg 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 170 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 171 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 172 4S 0.00000 -0.00000 -0.00000 0.00000 0.00000 173 5S -0.00000 -0.00008 0.00000 0.00004 -0.00000 174 6S 0.00000 -0.00009 -0.00000 0.00001 -0.00000 175 7S 0.00000 0.00000 -0.00000 -0.00000 0.00000 176 7PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 177 7PY -0.00000 0.00000 0.00000 0.00000 0.00000 178 7PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 179 8PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 180 8PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 181 8PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 182 9PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 183 9PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 184 9PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 185 10PX -0.00000 -0.00000 0.00000 0.00000 0.00000 186 10PY 0.00000 0.00000 -0.00000 0.00000 0.00000 187 10PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 188 11PX -0.00000 -0.00000 0.00002 -0.00000 0.00000 189 11PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 190 11PZ -0.00000 -0.00004 -0.00000 0.00001 -0.00000 191 12PX 0.00000 -0.00000 0.00002 -0.00000 0.00000 192 12PY -0.00000 -0.00000 -0.00000 0.00001 -0.00000 193 12PZ 0.00000 -0.00011 -0.00000 0.00011 0.00000 194 13D 0 0.00000 -0.00000 -0.00000 0.00000 -0.00000 195 13D+1 -0.00000 -0.00000 0.00000 0.00000 0.00000 196 13D-1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 197 13D+2 -0.00000 -0.00000 0.00000 0.00000 0.00000 198 13D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 199 14D 0 -0.00000 -0.00007 -0.00000 0.00004 -0.00000 200 14D+1 -0.00000 -0.00000 0.00005 0.00000 0.00000 201 14D-1 0.00000 -0.00002 -0.00000 0.00000 -0.00000 202 14D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 203 14D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 205 2S 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 207 4S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 208 5S 0.00000 0.00000 0.00000 0.00000 0.00000 209 6S 0.00000 0.00000 0.00000 0.00000 0.00000 210 7S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 211 8S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 212 9S 0.00000 -0.00001 0.00000 0.00000 0.00000 213 9PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 214 9PY 0.00000 0.00000 0.00000 -0.00000 0.00000 215 9PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 216 10PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 217 10PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 218 10PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 219 11PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 220 11PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 221 11PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 222 12PX 0.00000 -0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 224 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 13PX 0.00000 -0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 227 13PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 228 14PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 229 14PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 230 14PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 231 15PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 232 15PY -0.00000 0.00000 0.00000 -0.00000 0.00000 233 15PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 234 16PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 235 16PY -0.00000 0.00000 0.00000 0.00000 0.00000 236 16PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 237 17D 0 0.00000 -0.00000 -0.00000 0.00000 -0.00000 238 17D+1 0.00000 -0.00000 -0.00000 0.00000 0.00000 239 17D-1 0.00000 -0.00000 -0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00000 -0.00000 -0.00000 241 17D-2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 242 18D 0 0.00000 -0.00000 -0.00000 0.00000 0.00000 243 18D+1 0.00000 -0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 -0.00000 -0.00000 0.00000 0.00000 245 18D+2 0.00000 0.00000 0.00000 -0.00000 -0.00000 246 18D-2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 247 19D 0 0.00000 -0.00000 0.00000 0.00000 -0.00000 248 19D+1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 249 19D-1 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 250 19D+2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 251 19D-2 0.00000 -0.00000 0.00000 -0.00000 0.00000 252 20D 0 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 253 20D+1 -0.00000 -0.00000 0.00000 -0.00000 0.00000 254 20D-1 0.00000 0.00000 -0.00000 -0.00000 0.00000 255 20D+2 -0.00000 0.00000 0.00000 -0.00000 -0.00000 256 20D-2 -0.00000 0.00000 -0.00000 0.00000 0.00000 257 10 H 1S 0.00000 0.00009 -0.00000 0.00047 0.00003 258 2S -0.00000 0.00028 -0.00000 0.00174 0.00011 259 3S -0.00000 0.00002 -0.00000 0.00072 0.00004 260 4PX -0.00000 0.00000 0.00005 0.00000 0.00000 261 4PY 0.00000 0.00003 0.00000 0.00002 -0.00000 262 4PZ 0.00000 0.00002 -0.00000 0.00008 0.00000 263 11 H 1S 0.00000 0.00005 0.00000 0.00034 -0.00019 264 2S 0.00000 0.00007 0.00000 0.00045 -0.00026 265 3S 0.00000 0.00001 0.00000 0.00017 0.00002 266 4PX -0.00003 0.00000 -0.00003 -0.00000 -0.00000 267 4PY 0.00000 -0.00001 0.00000 -0.00001 0.00001 268 4PZ 0.00000 -0.00001 -0.00000 -0.00003 -0.00002 269 12 H 1S 0.00000 0.00025 0.00000 0.00016 -0.00002 270 2S -0.00000 0.00094 0.00000 0.00056 -0.00010 271 3S -0.00000 0.00030 0.00000 0.00005 -0.00007 272 4PX 0.00000 0.00000 0.00003 0.00000 0.00000 273 4PY 0.00000 0.00001 0.00000 0.00002 -0.00000 274 4PZ 0.00000 0.00004 -0.00000 0.00006 0.00000 275 13 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 276 2S -0.00000 -0.00000 0.00000 0.00001 -0.00002 277 3S -0.00000 -0.00002 0.00000 0.00003 -0.00005 278 4PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 279 4PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 280 4PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 81 82 83 84 85 81 7D-2 0.00072 82 4 C 1S 0.00000 0.65861 83 2S 0.00000 0.49224 0.48981 84 2PX -0.00000 0.00000 0.00000 0.06688 85 2PY 0.00000 0.00000 0.00000 0.00000 0.09022 86 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 87 3S -0.00000 -0.02626 -0.05973 0.00000 0.00000 88 3PX -0.00001 0.00000 0.00000 0.06451 0.00000 89 3PY 0.00000 0.00000 0.00000 0.00000 0.07840 90 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 91 4S -0.00000 -0.00935 -0.01596 0.00000 0.00000 92 4PX -0.00001 0.00000 0.00000 0.01870 0.00000 93 4PY 0.00000 0.00000 0.00000 0.00000 0.01366 94 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5S -0.00000 0.00143 0.00145 0.00000 0.00000 96 5PX -0.00000 0.00000 0.00000 0.00128 0.00000 97 5PY 0.00000 0.00000 0.00000 0.00000 -0.00024 98 5PZ -0.00000 0.00000 0.00000 0.00000 0.00000 99 6D 0 -0.00000 -0.00000 -0.00000 0.00000 0.00000 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 -0.00000 0.00000 0.00000 0.00000 0.00000 102 6D+2 0.00000 -0.00000 -0.00000 0.00000 0.00000 103 6D-2 -0.00001 0.00000 0.00000 0.00000 0.00000 104 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 -0.00000 -0.00000 0.00000 0.00000 0.00000 107 7D+2 -0.00000 -0.00000 -0.00000 0.00000 0.00000 108 7D-2 -0.00009 -0.00000 -0.00000 0.00000 0.00000 109 5 C 1S -0.00000 0.00000 0.00000 -0.00000 -0.00003 110 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00002 111 2PX -0.00001 -0.00000 -0.00000 0.00016 0.00000 112 2PY 0.00000 -0.00003 -0.00002 0.00000 0.00128 113 2PZ -0.00000 -0.00001 -0.00001 -0.00000 0.00059 114 3S 0.00000 -0.00031 -0.00052 0.00000 0.00518 115 3PX -0.00011 -0.00000 -0.00000 0.00294 0.00000 116 3PY 0.00000 -0.00120 -0.00211 0.00000 0.00887 117 3PZ -0.00000 -0.00049 -0.00089 -0.00000 0.00503 118 4S 0.00000 0.00010 0.00001 0.00000 0.00232 119 4PX -0.00034 -0.00000 -0.00000 0.00428 0.00000 120 4PY 0.00000 -0.00132 -0.00250 0.00000 0.00154 121 4PZ -0.00000 -0.00006 -0.00050 0.00000 0.00105 122 5S -0.00000 0.00075 0.00081 -0.00000 0.00040 123 5PX -0.00003 0.00000 -0.00000 -0.00036 -0.00000 124 5PY 0.00000 -0.00055 -0.00055 0.00000 -0.00057 125 5PZ 0.00000 0.00021 0.00019 -0.00000 0.00010 126 6D 0 0.00000 -0.00000 -0.00000 0.00000 0.00000 127 6D+1 -0.00000 -0.00000 -0.00000 0.00003 0.00000 128 6D-1 0.00000 -0.00002 -0.00002 0.00000 0.00039 129 6D+2 0.00000 -0.00001 -0.00001 0.00000 0.00008 130 6D-2 -0.00000 -0.00000 -0.00000 0.00005 0.00000 131 7D 0 0.00000 -0.00001 -0.00002 -0.00000 0.00015 132 7D+1 0.00002 0.00000 0.00000 0.00012 0.00000 133 7D-1 0.00000 -0.00045 -0.00061 0.00000 0.00048 134 7D+2 -0.00000 -0.00031 -0.00046 0.00000 -0.00007 135 7D-2 -0.00001 -0.00000 -0.00000 0.00128 -0.00000 136 6 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 -0.00002 142 3PX 0.00002 0.00000 0.00000 -0.00000 -0.00000 143 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00007 144 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 145 4S -0.00000 -0.00003 -0.00003 0.00000 0.00007 146 4PX 0.00007 -0.00000 0.00000 -0.00012 0.00000 147 4PY -0.00000 -0.00005 -0.00001 0.00000 -0.00040 148 4PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 149 5S -0.00000 -0.00191 -0.00261 0.00000 0.00034 150 5PX -0.00004 -0.00000 -0.00000 0.00004 0.00000 151 5PY 0.00000 -0.00056 -0.00062 0.00000 -0.00003 152 5PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 153 6D 0 0.00000 -0.00000 0.00000 -0.00000 0.00000 154 6D+1 0.00000 0.00000 -0.00000 0.00000 -0.00000 155 6D-1 0.00000 0.00000 -0.00000 -0.00000 -0.00000 156 6D+2 0.00000 -0.00000 0.00000 -0.00000 0.00000 157 6D-2 -0.00000 -0.00000 0.00000 0.00000 0.00000 158 7D 0 -0.00000 -0.00002 -0.00002 -0.00000 0.00009 159 7D+1 0.00005 0.00000 0.00000 0.00000 -0.00000 160 7D-1 -0.00000 0.00000 0.00000 -0.00000 -0.00000 161 7D+2 0.00000 -0.00001 -0.00002 -0.00000 0.00017 162 7D-2 -0.00003 -0.00000 -0.00000 0.00006 0.00000 163 7 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 164 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 165 3S 0.00000 -0.00001 -0.00002 0.00000 0.00012 166 4PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 167 4PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 168 4PZ -0.00000 0.00000 0.00000 0.00000 0.00000 169 8 Mg 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 170 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 171 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 172 4S 0.00000 -0.00000 0.00000 0.00000 0.00000 173 5S 0.00000 0.00005 0.00009 -0.00000 -0.00010 174 6S 0.00000 0.00023 0.00029 0.00000 -0.00008 175 7S -0.00000 0.00002 0.00002 0.00000 0.00000 176 7PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 177 7PY -0.00000 0.00001 0.00001 0.00000 0.00000 178 7PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 179 8PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 180 8PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 181 8PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 182 9PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 183 9PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 184 9PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 185 10PX -0.00000 0.00000 0.00000 0.00000 -0.00000 186 10PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 187 10PZ 0.00000 0.00000 0.00000 -0.00000 -0.00001 188 11PX -0.00000 0.00000 0.00000 0.00006 -0.00000 189 11PY 0.00000 0.00001 0.00001 -0.00000 0.00000 190 11PZ 0.00000 0.00010 0.00013 -0.00000 -0.00016 191 12PX -0.00000 -0.00000 -0.00000 0.00008 -0.00000 192 12PY -0.00000 0.00004 0.00005 0.00000 0.00003 193 12PZ 0.00000 -0.00047 -0.00064 0.00000 0.00011 194 13D 0 0.00000 0.00000 0.00000 -0.00000 -0.00000 195 13D+1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 196 13D-1 0.00000 -0.00000 -0.00000 -0.00000 0.00000 197 13D+2 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 198 13D-2 -0.00000 -0.00000 -0.00000 0.00000 0.00000 199 14D 0 0.00000 0.00009 0.00015 -0.00000 -0.00015 200 14D+1 -0.00001 0.00000 0.00000 0.00017 -0.00000 201 14D-1 0.00000 0.00001 0.00002 -0.00000 0.00001 202 14D+2 -0.00000 -0.00000 -0.00000 0.00000 0.00000 203 14D-2 0.00000 -0.00000 -0.00000 0.00002 0.00000 204 9 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 205 2S 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 4S 0.00000 0.00000 0.00000 0.00000 0.00000 208 5S -0.00000 0.00000 0.00000 0.00000 0.00000 209 6S 0.00000 0.00000 0.00000 0.00000 0.00000 210 7S -0.00000 -0.00000 0.00000 0.00000 0.00000 211 8S -0.00000 -0.00000 -0.00000 0.00000 0.00000 212 9S 0.00000 -0.00003 -0.00004 0.00000 0.00001 213 9PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 214 9PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 215 9PZ 0.00000 -0.00003 -0.00004 0.00000 0.00001 216 10PX -0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY -0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ -0.00000 0.00000 0.00000 0.00000 0.00000 219 11PX -0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY -0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ -0.00000 0.00000 0.00000 0.00000 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00000 0.00000 0.00000 0.00000 224 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 0.00000 0.00000 0.00000 0.00000 227 13PZ 0.00000 0.00000 0.00000 0.00000 0.00000 228 14PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 229 14PY -0.00000 0.00000 -0.00000 0.00000 0.00000 230 14PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 231 15PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 232 15PY -0.00000 0.00000 0.00000 0.00000 0.00000 233 15PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 234 16PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 235 16PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 236 16PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 237 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00000 0.00000 240 17D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 0.00000 0.00000 0.00000 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00000 0.00000 0.00000 0.00000 245 18D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00000 -0.00000 -0.00000 -0.00000 248 19D+1 0.00000 0.00000 -0.00000 -0.00000 0.00000 249 19D-1 0.00000 0.00000 -0.00000 0.00000 -0.00000 250 19D+2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 251 19D-2 -0.00000 0.00000 0.00000 0.00000 -0.00000 252 20D 0 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 253 20D+1 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 254 20D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 255 20D+2 -0.00000 0.00000 0.00000 0.00000 -0.00000 256 20D-2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 257 10 H 1S 0.00000 -0.00024 -0.00034 0.00000 0.00632 258 2S 0.00000 -0.00236 -0.00410 0.00000 0.01567 259 3S -0.00000 0.00007 0.00010 -0.00000 0.00241 260 4PX 0.00001 -0.00000 0.00000 0.00055 0.00000 261 4PY 0.00000 -0.00044 -0.00071 0.00000 0.00140 262 4PZ 0.00000 -0.00012 -0.00019 0.00000 0.00089 263 11 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 264 2S 0.00000 0.00001 0.00002 -0.00000 -0.00005 265 3S 0.00000 0.00015 0.00021 -0.00000 -0.00022 266 4PX -0.00009 -0.00000 -0.00000 0.00000 -0.00000 267 4PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 268 4PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 269 12 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 270 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 271 3S -0.00000 -0.00001 -0.00001 0.00000 0.00000 272 4PX 0.00002 -0.00000 0.00000 -0.00000 -0.00000 273 4PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 274 4PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 275 13 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 276 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 277 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 278 4PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 279 4PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 280 4PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 86 87 88 89 90 86 2PZ 0.09123 87 3S 0.00000 0.43815 88 3PX 0.00000 0.00000 0.15722 89 3PY -0.00000 0.00000 0.00000 0.17247 90 3PZ 0.08015 0.00000 0.00000 -0.00000 0.17810 91 4S 0.00000 0.15370 0.00000 0.00000 0.00000 92 4PX 0.00000 0.00000 0.08499 0.00000 0.00000 93 4PY -0.00000 0.00000 0.00000 0.05600 -0.00000 94 4PZ 0.01538 0.00000 0.00000 0.00000 0.06356 95 5S 0.00000 -0.00254 0.00000 0.00000 0.00000 96 5PX 0.00000 0.00000 0.00771 0.00000 0.00000 97 5PY -0.00000 0.00000 0.00000 -0.00133 -0.00000 98 5PZ 0.00064 0.00000 0.00000 0.00000 0.00359 99 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 100 6D+1 0.00000 -0.00000 0.00000 0.00000 0.00000 101 6D-1 0.00000 -0.00000 0.00000 0.00000 0.00000 102 6D+2 0.00000 -0.00000 0.00000 0.00000 0.00000 103 6D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 104 7D 0 0.00000 -0.00000 0.00000 0.00000 0.00000 105 7D+1 0.00000 -0.00000 0.00000 0.00000 0.00000 106 7D-1 0.00000 -0.00000 0.00000 0.00000 0.00000 107 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 5 C 1S -0.00001 -0.00031 -0.00000 -0.00115 -0.00046 110 2S -0.00001 -0.00052 -0.00000 -0.00201 -0.00078 111 2PX -0.00000 0.00000 0.00295 0.00000 -0.00000 112 2PY 0.00061 0.00558 0.00000 0.00901 0.00514 113 2PZ 0.00012 0.00227 -0.00000 0.00496 0.00047 114 3S 0.00195 0.01278 0.00000 0.02820 0.01075 115 3PX -0.00000 0.00000 0.01772 0.00000 0.00000 116 3PY 0.00493 0.02996 0.00000 0.02630 0.01820 117 3PZ 0.00048 0.01312 0.00000 0.01869 -0.00034 118 4S -0.00014 0.00146 0.00000 0.01062 -0.00050 119 4PX 0.00000 0.00000 0.02269 0.00000 0.00000 120 4PY 0.00158 0.02806 0.00000 0.00298 0.00673 121 4PZ -0.00051 0.01055 0.00000 0.00465 -0.00285 122 5S -0.00070 0.00028 -0.00000 0.00221 -0.00382 123 5PX 0.00000 0.00000 -0.00222 -0.00000 0.00000 124 5PY -0.00047 0.00027 0.00000 -0.00313 -0.00248 125 5PZ -0.00036 0.00055 -0.00000 0.00057 -0.00201 126 6D 0 0.00004 0.00000 0.00000 0.00004 0.00021 127 6D+1 -0.00000 0.00000 0.00018 0.00000 -0.00000 128 6D-1 0.00005 0.00077 -0.00000 0.00113 0.00008 129 6D+2 0.00011 0.00033 0.00000 0.00018 0.00038 130 6D-2 0.00000 0.00000 0.00035 0.00000 0.00000 131 7D 0 0.00074 0.00008 -0.00000 0.00053 0.00242 132 7D+1 0.00000 -0.00000 0.00048 0.00000 0.00000 133 7D-1 -0.00001 0.00228 0.00000 0.00094 0.00042 134 7D+2 0.00049 0.00211 0.00000 0.00002 0.00120 135 7D-2 -0.00000 0.00000 0.00486 -0.00000 0.00000 136 6 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 -0.00002 -0.00000 -0.00007 0.00000 140 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 141 3S -0.00000 -0.00020 -0.00000 -0.00066 -0.00000 142 3PX -0.00000 -0.00000 -0.00004 -0.00000 -0.00000 143 3PY -0.00000 -0.00066 -0.00000 -0.00133 -0.00000 144 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00002 145 4S 0.00000 0.00001 0.00000 0.00035 -0.00000 146 4PX -0.00000 -0.00000 -0.00079 0.00000 -0.00000 147 4PY 0.00000 -0.00147 0.00000 -0.00192 -0.00000 148 4PZ 0.00004 0.00000 -0.00000 -0.00000 0.00015 149 5S 0.00000 0.02401 0.00000 0.00228 -0.00000 150 5PX -0.00000 0.00000 0.00025 0.00000 -0.00000 151 5PY -0.00000 0.00188 0.00000 -0.00021 0.00000 152 5PZ -0.00078 -0.00000 -0.00000 -0.00000 -0.00456 153 6D 0 -0.00000 0.00000 -0.00000 0.00002 -0.00000 154 6D+1 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 155 6D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 156 6D+2 -0.00000 0.00000 -0.00000 0.00002 -0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 -0.00000 0.00050 -0.00000 0.00057 -0.00000 159 7D+1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 160 7D-1 -0.00002 -0.00000 -0.00000 -0.00000 -0.00015 161 7D+2 -0.00000 0.00068 -0.00000 0.00102 -0.00000 162 7D-2 0.00000 0.00000 0.00056 0.00000 0.00000 163 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00001 0.00000 0.00002 0.00000 165 3S 0.00001 0.00057 0.00000 0.00088 0.00009 166 4PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 167 4PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 168 4PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 169 8 Mg 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 170 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 171 3S 0.00000 0.00000 0.00000 0.00000 0.00000 172 4S 0.00000 0.00000 0.00000 0.00000 0.00000 173 5S -0.00029 -0.00187 -0.00000 -0.00074 -0.00203 174 6S 0.00013 -0.00206 0.00000 -0.00046 0.00069 175 7S 0.00000 -0.00019 0.00000 0.00000 0.00001 176 7PX -0.00000 0.00000 -0.00003 -0.00000 -0.00000 177 7PY -0.00000 -0.00010 0.00000 0.00000 -0.00001 178 7PZ -0.00000 0.00016 -0.00000 0.00001 -0.00000 179 8PX 0.00000 0.00000 -0.00000 0.00000 0.00000 180 8PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 181 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 9PX 0.00000 0.00000 -0.00000 0.00000 0.00000 183 9PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 184 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 10PX -0.00000 -0.00000 0.00004 -0.00000 -0.00000 186 10PY 0.00000 0.00002 0.00000 0.00001 0.00006 187 10PZ -0.00002 -0.00023 -0.00000 -0.00017 -0.00026 188 11PX -0.00000 -0.00000 0.00046 -0.00000 -0.00000 189 11PY 0.00005 -0.00008 -0.00000 0.00003 0.00030 190 11PZ -0.00018 -0.00139 -0.00000 -0.00094 -0.00102 191 12PX 0.00000 0.00000 0.00053 -0.00000 0.00000 192 12PY 0.00003 -0.00057 0.00000 0.00018 0.00018 193 12PZ 0.00012 0.00494 0.00000 0.00065 0.00060 194 13D 0 -0.00000 -0.00004 -0.00000 -0.00002 -0.00001 195 13D+1 -0.00000 -0.00000 0.00003 -0.00000 -0.00000 196 13D-1 0.00000 0.00002 0.00000 0.00001 0.00005 197 13D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 -0.00010 -0.00182 -0.00000 -0.00082 -0.00048 200 14D+1 -0.00000 -0.00000 0.00110 -0.00000 -0.00000 201 14D-1 0.00006 -0.00028 -0.00000 0.00009 0.00026 202 14D+2 0.00001 0.00003 0.00000 0.00002 0.00005 203 14D-2 0.00000 0.00000 0.00010 0.00000 0.00000 204 9 Br 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 205 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 4S 0.00000 0.00000 0.00000 0.00000 0.00000 208 5S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 209 6S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 210 7S 0.00000 0.00000 0.00000 0.00000 0.00000 211 8S 0.00000 0.00000 0.00000 0.00000 0.00000 212 9S 0.00001 0.00037 0.00000 0.00005 0.00008 213 9PX 0.00000 0.00000 -0.00002 0.00000 0.00000 214 9PY -0.00000 0.00002 0.00000 -0.00000 -0.00001 215 9PZ 0.00001 0.00037 0.00000 0.00006 0.00008 216 10PX 0.00000 0.00000 -0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 -0.00000 218 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 219 11PX 0.00000 0.00000 -0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00000 0.00000 -0.00000 221 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000 222 12PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 223 12PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 224 12PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 225 13PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 226 13PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 227 13PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 228 14PX 0.00000 0.00000 -0.00000 0.00000 0.00000 229 14PY -0.00000 0.00000 0.00000 0.00000 -0.00000 230 14PZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 15PX 0.00000 0.00000 -0.00000 0.00000 0.00000 232 15PY -0.00000 0.00000 0.00000 0.00000 -0.00000 233 15PZ 0.00000 0.00000 0.00000 0.00000 0.00000 234 16PX 0.00000 0.00000 0.00000 0.00000 0.00000 235 16PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 236 16PZ 0.00000 0.00001 0.00000 0.00000 0.00001 237 17D 0 0.00000 0.00000 0.00000 0.00000 -0.00000 238 17D+1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 239 17D-1 0.00000 -0.00000 0.00000 0.00000 -0.00000 240 17D+2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 241 17D-2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 242 18D 0 0.00000 0.00000 -0.00000 0.00000 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 244 18D-1 0.00000 -0.00000 0.00000 0.00000 -0.00000 245 18D+2 0.00000 -0.00000 0.00000 -0.00000 0.00000 246 18D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 247 19D 0 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 248 19D+1 0.00000 -0.00000 -0.00000 0.00000 0.00000 249 19D-1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 250 19D+2 0.00000 0.00000 -0.00000 -0.00000 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 253 20D+1 -0.00000 0.00000 0.00000 -0.00000 -0.00000 254 20D-1 0.00000 0.00000 -0.00000 -0.00000 0.00000 255 20D+2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 256 20D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 257 10 H 1S 0.00185 0.01538 0.00000 0.03042 0.00876 258 2S 0.00460 0.04609 0.00000 0.05859 0.01692 259 3S 0.00087 -0.00163 0.00000 0.01136 0.00406 260 4PX 0.00000 0.00000 0.00243 0.00000 0.00000 261 4PY 0.00094 0.00544 0.00000 0.00212 0.00211 262 4PZ 0.00001 0.00144 0.00000 0.00203 0.00024 263 11 H 1S -0.00000 -0.00006 -0.00000 -0.00003 -0.00017 264 2S -0.00023 -0.00139 -0.00000 -0.00050 -0.00242 265 3S -0.00080 -0.00216 -0.00000 -0.00121 -0.00461 266 4PX -0.00000 -0.00000 0.00004 -0.00000 -0.00000 267 4PY -0.00000 -0.00003 -0.00000 -0.00000 -0.00005 268 4PZ 0.00001 0.00002 -0.00000 0.00001 0.00018 269 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 270 2S 0.00000 0.00000 0.00000 -0.00000 0.00002 271 3S 0.00010 0.00027 0.00000 0.00002 0.00071 272 4PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 273 4PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 274 4PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 275 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 276 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 277 3S -0.00000 -0.00001 0.00000 -0.00003 -0.00001 278 4PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 279 4PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 280 4PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 91 92 93 94 95 91 4S 0.10532 92 4PX 0.00000 0.10856 93 4PY 0.00000 0.00000 0.04545 94 4PZ 0.00000 0.00000 -0.00000 0.05985 95 5S 0.03452 0.00000 0.00000 0.00000 0.70615 96 5PX 0.00000 0.01880 0.00000 0.00000 0.00000 97 5PY 0.00000 0.00000 -0.00395 -0.00000 0.00000 98 5PZ 0.00000 0.00000 0.00000 -0.00143 0.00000 99 6D 0 0.00000 0.00000 0.00000 0.00000 -0.00000 100 6D+1 -0.00000 0.00000 0.00000 0.00000 -0.00000 101 6D-1 -0.00000 0.00000 0.00000 0.00000 0.00000 102 6D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 103 6D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 -0.00000 0.00000 0.00000 0.00000 -0.00000 105 7D+1 -0.00000 0.00000 0.00000 0.00000 -0.00000 106 7D-1 -0.00000 0.00000 0.00000 0.00000 0.00000 107 7D+2 -0.00000 0.00000 0.00000 0.00000 -0.00000 108 7D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 109 5 C 1S -0.00067 -0.00000 -0.00092 -0.00042 -0.00178 110 2S -0.00131 -0.00000 -0.00187 -0.00051 -0.00217 111 2PX 0.00000 0.00446 0.00000 0.00000 0.00000 112 2PY 0.00173 0.00000 0.00095 0.00166 -0.00061 113 2PZ 0.00122 0.00000 0.00204 -0.00106 0.00032 114 3S 0.01822 0.00000 0.02240 0.00260 0.01306 115 3PX 0.00000 0.02359 0.00000 0.00000 0.00000 116 3PY 0.00826 0.00000 0.00182 0.00660 -0.00329 117 3PZ 0.00615 0.00000 0.00866 -0.00620 0.00190 118 4S 0.00112 -0.00000 0.00646 -0.00845 -0.01436 119 4PX 0.00000 0.03770 0.00000 0.00000 0.00000 120 4PY 0.00616 0.00000 -0.00479 0.00416 -0.01195 121 4PZ 0.00659 0.00000 0.00447 -0.01027 0.00470 122 5S -0.04369 0.00000 0.00498 0.00363 -0.22757 123 5PX 0.00000 -0.00487 -0.00000 0.00000 -0.00000 124 5PY -0.00163 0.00000 -0.00689 -0.00302 -0.09832 125 5PZ 0.00519 -0.00000 0.00118 -0.00182 0.00179 126 6D 0 0.00000 -0.00000 0.00001 0.00008 0.00000 127 6D+1 -0.00000 0.00010 -0.00000 -0.00000 -0.00000 128 6D-1 0.00009 0.00000 0.00004 -0.00003 -0.00001 129 6D+2 0.00007 0.00000 -0.00003 0.00006 0.00001 130 6D-2 0.00000 0.00020 0.00000 -0.00000 -0.00000 131 7D 0 0.00004 -0.00000 0.00001 0.00177 0.00002 132 7D+1 -0.00000 0.00029 0.00000 -0.00000 -0.00000 133 7D-1 0.00046 0.00000 0.00001 0.00050 -0.00010 134 7D+2 0.00056 0.00000 0.00003 0.00049 0.00016 135 7D-2 0.00000 0.00372 -0.00000 -0.00000 0.00000 136 6 C 1S -0.00003 -0.00000 -0.00005 -0.00000 -0.00191 137 2S -0.00003 -0.00000 -0.00001 0.00000 -0.00261 138 2PX -0.00000 -0.00012 -0.00000 -0.00000 -0.00000 139 2PY 0.00007 0.00000 -0.00040 0.00000 0.00034 140 2PZ 0.00000 -0.00000 0.00000 0.00004 0.00000 141 3S 0.00001 0.00000 -0.00147 0.00000 0.02401 142 3PX -0.00000 -0.00079 -0.00000 -0.00000 -0.00000 143 3PY 0.00035 0.00000 -0.00192 -0.00000 0.00228 144 3PZ -0.00000 -0.00000 -0.00000 0.00015 -0.00000 145 4S 0.00065 0.00000 0.00209 0.00000 0.01694 146 4PX -0.00000 -0.00337 0.00000 -0.00000 -0.00000 147 4PY 0.00209 0.00000 -0.00089 0.00000 0.00465 148 4PZ -0.00000 -0.00000 -0.00000 0.00175 -0.00000 149 5S 0.01694 0.00000 0.00465 -0.00000 -0.11163 150 5PX 0.00000 0.00045 0.00000 -0.00000 0.00000 151 5PY 0.00808 0.00000 -0.00022 0.00000 -0.02199 152 5PZ -0.00000 -0.00000 0.00000 -0.01250 0.00000 153 6D 0 0.00002 0.00000 0.00004 -0.00000 0.00000 154 6D+1 -0.00000 0.00000 0.00000 -0.00000 -0.00000 155 6D-1 0.00000 -0.00000 -0.00000 -0.00002 -0.00000 156 6D+2 0.00002 -0.00000 0.00005 -0.00000 0.00002 157 6D-2 0.00000 0.00004 0.00000 0.00000 -0.00000 158 7D 0 0.00041 0.00000 0.00041 -0.00000 0.00023 159 7D+1 -0.00000 0.00000 0.00000 -0.00000 -0.00000 160 7D-1 -0.00000 -0.00000 -0.00000 -0.00075 0.00000 161 7D+2 0.00053 -0.00000 0.00061 -0.00000 0.00001 162 7D-2 0.00000 0.00138 0.00000 -0.00000 0.00000 163 7 H 1S 0.00001 0.00000 0.00009 0.00001 0.00079 164 2S 0.00004 0.00000 0.00072 0.00009 0.00294 165 3S 0.00085 0.00000 0.00283 0.00036 -0.00092 166 4PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 167 4PY -0.00000 0.00000 0.00001 0.00000 0.00020 168 4PZ -0.00000 -0.00000 0.00000 -0.00000 0.00001 169 8 Mg 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00003 170 2S -0.00001 -0.00000 -0.00000 -0.00000 -0.00022 171 3S 0.00008 0.00000 0.00001 0.00005 0.00195 172 4S 0.00022 0.00000 0.00006 0.00039 0.00410 173 5S -0.00081 -0.00000 -0.00243 -0.01287 -0.00703 174 6S 0.00548 -0.00000 -0.00060 -0.00290 0.03026 175 7S -0.00061 0.00000 0.00001 0.00013 -0.00102 176 7PX -0.00000 -0.00011 -0.00000 -0.00000 -0.00000 177 7PY -0.00018 -0.00000 0.00001 -0.00001 -0.00049 178 7PZ -0.00028 -0.00000 0.00002 -0.00007 -0.00038 179 8PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 180 8PY 0.00000 0.00000 0.00000 0.00001 -0.00037 181 8PZ -0.00001 0.00000 -0.00001 0.00004 -0.00027 182 9PX -0.00000 -0.00003 0.00000 0.00000 -0.00000 183 9PY 0.00002 0.00000 0.00001 0.00011 -0.00404 184 9PZ -0.00010 0.00000 -0.00006 0.00044 -0.00299 185 10PX -0.00000 0.00034 -0.00000 -0.00000 -0.00000 186 10PY -0.00009 0.00000 -0.00001 0.00035 -0.00329 187 10PZ -0.00137 -0.00000 -0.00094 -0.00145 -0.00404 188 11PX -0.00000 0.00159 -0.00000 -0.00000 0.00000 189 11PY -0.00043 -0.00000 0.00017 0.00057 0.00084 190 11PZ -0.00064 -0.00000 -0.00173 -0.00313 0.00296 191 12PX 0.00000 0.00149 -0.00000 0.00000 0.00000 192 12PY -0.00000 0.00000 0.00028 0.00023 0.00418 193 12PZ 0.01390 0.00000 0.00085 -0.00112 0.01488 194 13D 0 0.00004 -0.00000 -0.00009 -0.00035 0.00006 195 13D+1 0.00000 0.00026 -0.00000 -0.00000 0.00000 196 13D-1 0.00014 -0.00000 0.00000 0.00010 0.00034 197 13D+2 0.00000 0.00000 0.00000 0.00001 0.00001 198 13D-2 0.00000 0.00001 0.00000 0.00000 0.00000 199 14D 0 0.00009 -0.00000 -0.00115 -0.00109 0.00022 200 14D+1 0.00000 0.00268 -0.00000 -0.00000 0.00000 201 14D-1 0.00133 0.00000 0.00014 -0.00001 0.00479 202 14D+2 0.00002 0.00000 0.00001 0.00009 0.00004 203 14D-2 0.00000 0.00025 -0.00000 0.00000 0.00000 204 9 Br 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 205 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 206 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 207 4S 0.00000 -0.00000 -0.00000 -0.00000 0.00001 208 5S -0.00000 0.00000 0.00000 0.00000 -0.00003 209 6S -0.00000 0.00000 0.00000 0.00000 -0.00009 210 7S 0.00000 -0.00000 0.00000 -0.00000 0.00072 211 8S 0.00001 0.00000 0.00000 0.00002 0.00122 212 9S 0.00095 0.00000 0.00010 -0.00022 0.00106 213 9PX 0.00000 -0.00007 0.00000 0.00000 -0.00000 214 9PY -0.00005 0.00000 -0.00000 0.00001 -0.00096 215 9PZ 0.00090 0.00000 0.00010 -0.00022 0.00036 216 10PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 217 10PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 218 10PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 219 11PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 220 11PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 221 11PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 222 12PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 223 12PY 0.00000 -0.00000 0.00000 -0.00000 0.00001 224 12PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00001 225 13PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 226 13PY 0.00000 -0.00000 0.00000 -0.00000 0.00002 227 13PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00001 228 14PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 229 14PY -0.00000 0.00000 -0.00000 0.00000 -0.00010 230 14PZ 0.00000 0.00000 0.00000 -0.00000 0.00004 231 15PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 232 15PY -0.00000 0.00000 -0.00000 0.00000 -0.00090 233 15PZ 0.00000 0.00000 0.00000 -0.00000 0.00036 234 16PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 235 16PY -0.00005 0.00000 0.00000 0.00003 -0.00271 236 16PZ 0.00015 0.00000 0.00004 0.00001 0.00120 237 17D 0 -0.00000 -0.00000 -0.00000 0.00000 0.00000 238 17D+1 0.00000 0.00000 -0.00000 -0.00000 0.00000 239 17D-1 0.00000 -0.00000 0.00000 -0.00000 0.00000 240 17D+2 -0.00000 0.00000 -0.00000 0.00000 0.00000 241 17D-2 0.00000 -0.00000 0.00000 -0.00000 0.00000 242 18D 0 -0.00000 -0.00000 -0.00000 0.00000 0.00000 243 18D+1 0.00000 0.00000 -0.00000 -0.00000 0.00000 244 18D-1 0.00000 -0.00000 0.00000 -0.00000 0.00001 245 18D+2 -0.00000 0.00000 -0.00000 0.00000 0.00000 246 18D-2 0.00000 -0.00000 0.00000 -0.00000 0.00000 247 19D 0 0.00000 -0.00000 -0.00000 -0.00000 0.00000 248 19D+1 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 249 19D-1 0.00000 -0.00000 0.00000 -0.00000 0.00000 250 19D+2 -0.00000 0.00000 -0.00000 0.00000 0.00000 251 19D-2 0.00000 0.00000 0.00000 -0.00000 -0.00000 252 20D 0 0.00000 -0.00000 -0.00000 -0.00000 0.00004 253 20D+1 0.00000 0.00000 -0.00000 -0.00000 -0.00000 254 20D-1 -0.00000 -0.00000 0.00000 0.00000 -0.00010 255 20D+2 -0.00000 0.00000 -0.00000 0.00000 0.00000 256 20D-2 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 257 10 H 1S 0.01298 0.00000 0.01498 0.00674 0.01595 258 2S 0.03914 -0.00000 0.03815 0.01659 0.06280 259 3S 0.00589 0.00000 0.01064 0.00666 0.05216 260 4PX 0.00000 0.00208 0.00000 0.00000 0.00000 261 4PY 0.00164 0.00000 -0.00025 0.00064 0.00048 262 4PZ 0.00043 0.00000 0.00047 0.00005 0.00007 263 11 H 1S -0.00038 -0.00000 -0.00069 -0.00135 -0.00594 264 2S -0.00215 -0.00000 -0.00283 -0.00569 -0.02335 265 3S -0.00217 -0.00000 -0.00266 -0.00744 -0.01214 266 4PX -0.00000 0.00028 -0.00000 -0.00000 -0.00000 267 4PY -0.00005 -0.00000 0.00001 -0.00010 -0.00017 268 4PZ 0.00004 -0.00000 -0.00002 0.00027 -0.00045 269 12 H 1S 0.00001 0.00000 -0.00001 0.00009 0.00231 270 2S 0.00005 0.00000 -0.00008 0.00080 0.00997 271 3S 0.00025 0.00000 -0.00009 0.00242 0.00507 272 4PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 273 4PY -0.00000 -0.00000 -0.00000 -0.00000 0.00004 274 4PZ -0.00000 0.00000 -0.00001 0.00002 0.00031 275 13 H 1S 0.00000 -0.00000 0.00001 0.00000 -0.00050 276 2S 0.00005 0.00000 0.00005 0.00001 -0.00183 277 3S 0.00019 0.00000 0.00005 -0.00008 0.00283 278 4PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 279 4PY 0.00000 -0.00000 0.00000 -0.00000 -0.00013 280 4PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00001 96 97 98 99 100 96 5PX 0.00848 97 5PY 0.00000 0.05681 98 5PZ 0.00000 -0.00000 0.12659 99 6D 0 0.00000 0.00000 0.00000 0.00068 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00019 101 6D-1 0.00000 0.00000 0.00000 -0.00000 0.00000 102 6D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 103 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 104 7D 0 0.00000 0.00000 0.00000 0.00037 0.00000 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00024 106 7D-1 0.00000 0.00000 0.00000 -0.00000 0.00000 107 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 108 7D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 109 5 C 1S -0.00000 -0.00063 -0.00025 -0.00000 0.00000 110 2S -0.00000 -0.00106 -0.00052 -0.00000 -0.00000 111 2PX 0.00077 0.00000 0.00000 0.00000 0.00002 112 2PY -0.00000 -0.00004 0.00023 0.00000 0.00000 113 2PZ 0.00000 -0.00033 0.00159 0.00007 -0.00000 114 3S 0.00000 0.01188 0.00724 0.00001 -0.00000 115 3PX 0.00470 0.00000 0.00000 0.00000 0.00012 116 3PY -0.00000 -0.00024 0.00117 0.00001 0.00000 117 3PZ 0.00000 -0.00186 0.00962 0.00043 -0.00000 118 4S 0.00000 0.01711 0.01479 -0.00001 0.00000 119 4PX 0.01158 0.00000 0.00000 -0.00000 0.00007 120 4PY -0.00000 -0.00131 0.00244 0.00002 0.00000 121 4PZ 0.00000 -0.00299 0.01932 0.00017 -0.00000 122 5S -0.00000 -0.09212 -0.05608 0.00000 -0.00000 123 5PX -0.00199 0.00000 0.00000 -0.00000 0.00000 124 5PY 0.00000 0.04319 -0.01057 0.00002 0.00000 125 5PZ -0.00000 0.00221 -0.01838 0.00001 -0.00000 126 6D 0 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 127 6D+1 0.00000 -0.00000 0.00000 -0.00000 0.00000 128 6D-1 0.00000 0.00000 -0.00001 -0.00001 0.00000 129 6D+2 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 130 6D-2 0.00001 -0.00000 0.00000 0.00000 -0.00001 131 7D 0 -0.00000 0.00017 -0.00043 -0.00006 -0.00000 132 7D+1 0.00001 0.00000 0.00000 -0.00000 0.00000 133 7D-1 0.00000 0.00006 0.00015 -0.00003 0.00000 134 7D+2 -0.00000 0.00013 -0.00004 -0.00004 -0.00000 135 7D-2 0.00020 -0.00000 -0.00000 0.00000 -0.00005 136 6 C 1S 0.00000 -0.00056 0.00000 -0.00000 0.00000 137 2S 0.00000 -0.00062 -0.00000 0.00000 -0.00000 138 2PX 0.00004 -0.00000 -0.00000 0.00000 0.00000 139 2PY 0.00000 -0.00003 -0.00000 0.00000 -0.00000 140 2PZ -0.00000 -0.00000 -0.00078 -0.00000 0.00000 141 3S -0.00000 0.00188 -0.00000 0.00000 -0.00000 142 3PX 0.00025 -0.00000 -0.00000 0.00000 0.00000 143 3PY 0.00000 -0.00021 -0.00000 0.00002 -0.00000 144 3PZ -0.00000 0.00000 -0.00456 -0.00000 0.00000 145 4S 0.00000 0.00808 -0.00000 0.00002 -0.00000 146 4PX 0.00045 -0.00000 -0.00000 -0.00000 0.00000 147 4PY 0.00000 -0.00022 0.00000 0.00004 -0.00000 148 4PZ -0.00000 0.00000 -0.01250 -0.00000 0.00000 149 5S -0.00000 -0.02199 -0.00000 0.00000 -0.00000 150 5PX 0.00153 -0.00000 -0.00000 -0.00000 0.00000 151 5PY 0.00000 -0.00017 -0.00000 0.00000 0.00000 152 5PZ -0.00000 0.00000 -0.01486 0.00000 0.00000 153 6D 0 0.00000 0.00000 0.00000 0.00000 -0.00000 154 6D+1 0.00000 0.00000 -0.00000 -0.00000 0.00000 155 6D-1 0.00000 -0.00000 0.00001 -0.00000 -0.00000 156 6D+2 0.00000 0.00000 0.00000 0.00000 -0.00000 157 6D-2 0.00001 -0.00000 0.00000 -0.00000 0.00000 158 7D 0 0.00000 0.00007 0.00000 0.00001 -0.00000 159 7D+1 0.00000 0.00000 -0.00000 -0.00000 0.00000 160 7D-1 0.00000 -0.00000 0.00072 -0.00000 0.00000 161 7D+2 0.00000 0.00006 0.00000 0.00001 -0.00000 162 7D-2 0.00024 -0.00000 0.00000 0.00000 -0.00000 163 7 H 1S -0.00000 -0.00037 -0.00040 -0.00000 0.00000 164 2S -0.00000 -0.00090 -0.00143 -0.00000 0.00000 165 3S -0.00000 -0.00483 -0.00143 0.00000 -0.00000 166 4PX 0.00000 0.00000 0.00000 -0.00000 0.00000 167 4PY -0.00000 0.00001 -0.00005 0.00000 -0.00000 168 4PZ 0.00000 0.00001 0.00001 -0.00000 -0.00000 169 8 Mg 1S -0.00000 -0.00001 -0.00001 0.00000 0.00000 170 2S -0.00000 -0.00006 -0.00008 0.00000 0.00000 171 3S 0.00000 0.00042 0.00041 -0.00000 -0.00000 172 4S -0.00000 -0.00001 -0.00184 -0.00000 -0.00000 173 5S 0.00000 0.02011 0.06430 0.00004 0.00000 174 6S 0.00000 0.01476 0.03671 -0.00000 0.00000 175 7S -0.00000 -0.00048 -0.00137 -0.00000 -0.00000 176 7PX -0.00012 0.00000 0.00000 0.00000 -0.00000 177 7PY -0.00000 -0.00026 0.00014 -0.00000 0.00000 178 7PZ 0.00000 -0.00056 0.00103 0.00000 -0.00000 179 8PX -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 180 8PY -0.00000 0.00013 -0.00033 0.00000 0.00000 181 8PZ 0.00000 -0.00004 0.00005 -0.00000 -0.00000 182 9PX -0.00015 0.00000 -0.00000 -0.00000 -0.00000 183 9PY -0.00000 0.00146 -0.00346 0.00000 0.00000 184 9PZ 0.00000 -0.00040 0.00053 -0.00000 -0.00000 185 10PX 0.00028 0.00000 0.00000 0.00000 0.00000 186 10PY 0.00000 0.00048 -0.00021 -0.00000 -0.00000 187 10PZ 0.00000 0.00013 0.00138 0.00001 0.00000 188 11PX 0.00130 -0.00000 0.00000 0.00000 0.00000 189 11PY -0.00000 -0.00196 0.00373 -0.00000 -0.00000 190 11PZ 0.00000 0.00328 0.00366 0.00001 0.00000 191 12PX 0.00099 -0.00000 -0.00000 -0.00000 0.00000 192 12PY 0.00000 -0.00032 -0.00050 -0.00000 -0.00000 193 12PZ -0.00000 0.01213 0.00291 -0.00000 0.00000 194 13D 0 0.00000 0.00045 -0.00000 0.00000 0.00000 195 13D+1 0.00013 0.00000 0.00000 0.00000 0.00000 196 13D-1 0.00000 0.00007 -0.00015 -0.00000 -0.00000 197 13D+2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 198 13D-2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 199 14D 0 -0.00000 0.00327 -0.00198 0.00000 0.00000 200 14D+1 0.00114 0.00000 0.00000 0.00000 0.00000 201 14D-1 0.00000 0.00073 -0.00100 -0.00000 -0.00000 202 14D+2 0.00000 0.00012 -0.00008 -0.00000 0.00000 203 14D-2 0.00006 0.00000 -0.00000 -0.00000 -0.00000 204 9 Br 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 205 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00001 0.00000 0.00000 207 4S 0.00000 0.00000 0.00001 0.00000 0.00000 208 5S -0.00000 -0.00001 -0.00006 0.00000 0.00000 209 6S -0.00000 -0.00003 -0.00012 0.00000 0.00000 210 7S 0.00000 0.00017 0.00005 -0.00000 -0.00000 211 8S -0.00000 -0.00008 -0.00171 -0.00000 -0.00000 212 9S 0.00000 0.00144 0.00774 0.00000 0.00000 213 9PX -0.00010 -0.00000 0.00000 0.00000 0.00000 214 9PY -0.00000 -0.00022 0.00078 0.00000 0.00000 215 9PZ 0.00000 0.00107 0.00432 0.00000 0.00000 216 10PX -0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 -0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 219 11PX -0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 -0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000 222 12PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 223 12PY -0.00000 0.00000 -0.00003 0.00000 0.00000 224 12PZ -0.00000 -0.00001 -0.00006 0.00000 0.00000 225 13PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 226 13PY -0.00000 0.00000 -0.00004 0.00000 0.00000 227 13PZ -0.00000 -0.00002 -0.00008 0.00000 0.00000 228 14PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 229 14PY 0.00000 -0.00002 0.00020 0.00000 0.00000 230 14PZ 0.00000 0.00009 0.00040 -0.00000 -0.00000 231 15PX -0.00003 0.00000 0.00000 -0.00000 -0.00000 232 15PY 0.00000 -0.00021 0.00166 0.00000 0.00000 233 15PZ 0.00000 0.00070 0.00308 -0.00000 -0.00000 234 16PX -0.00007 0.00000 0.00000 -0.00000 0.00000 235 16PY 0.00000 -0.00072 0.00410 0.00000 0.00000 236 16PZ 0.00000 0.00121 0.00495 -0.00000 -0.00000 237 17D 0 -0.00000 -0.00000 -0.00000 0.00000 0.00000 238 17D+1 -0.00000 -0.00000 -0.00000 0.00000 0.00000 239 17D-1 -0.00000 0.00000 -0.00000 0.00000 0.00000 240 17D+2 0.00000 -0.00000 0.00000 0.00000 0.00000 241 17D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 242 18D 0 -0.00000 -0.00000 -0.00001 0.00000 0.00000 243 18D+1 -0.00000 -0.00000 -0.00000 0.00000 0.00000 244 18D-1 -0.00000 0.00000 -0.00001 0.00000 0.00000 245 18D+2 0.00000 -0.00000 0.00000 0.00000 0.00000 246 18D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00000 0.00001 0.00000 0.00000 248 19D+1 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 249 19D-1 -0.00000 0.00000 -0.00000 0.00000 0.00000 250 19D+2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 251 19D-2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 252 20D 0 0.00000 0.00006 0.00018 -0.00000 -0.00000 253 20D+1 0.00000 0.00000 0.00000 -0.00000 0.00000 254 20D-1 0.00000 -0.00003 0.00016 0.00000 -0.00000 255 20D+2 0.00000 -0.00000 0.00000 0.00000 0.00000 256 20D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 257 10 H 1S -0.00000 -0.00038 0.00031 0.00007 -0.00000 258 2S 0.00000 -0.00233 0.00148 0.00007 -0.00000 259 3S 0.00000 -0.00062 -0.00114 0.00001 -0.00000 260 4PX 0.00023 0.00000 0.00000 -0.00000 -0.00001 261 4PY 0.00000 0.00005 0.00003 -0.00001 -0.00000 262 4PZ 0.00000 0.00001 0.00001 -0.00003 -0.00000 263 11 H 1S 0.00000 0.00080 0.00080 -0.00000 0.00000 264 2S 0.00000 0.00322 0.00402 -0.00002 0.00000 265 3S 0.00000 0.00220 0.00483 -0.00003 -0.00000 266 4PX 0.00005 -0.00000 0.00000 0.00000 0.00000 267 4PY -0.00000 -0.00005 0.00000 -0.00000 -0.00000 268 4PZ -0.00000 0.00006 0.00000 0.00000 0.00000 269 12 H 1S 0.00000 0.00022 0.00111 0.00000 0.00000 270 2S 0.00000 0.00107 0.00369 0.00000 0.00000 271 3S 0.00000 0.00018 0.00251 0.00000 0.00000 272 4PX -0.00002 0.00000 0.00000 -0.00000 0.00000 273 4PY -0.00000 -0.00001 -0.00003 -0.00000 0.00000 274 4PZ 0.00000 0.00005 0.00006 -0.00000 -0.00000 275 13 H 1S 0.00000 -0.00037 -0.00019 0.00000 -0.00000 276 2S -0.00000 -0.00176 -0.00052 0.00000 -0.00000 277 3S -0.00000 -0.00141 0.00097 0.00000 -0.00000 278 4PX -0.00002 0.00000 0.00000 -0.00000 -0.00000 279 4PY -0.00000 -0.00005 -0.00002 0.00000 -0.00000 280 4PZ 0.00000 0.00001 -0.00000 -0.00000 0.00000 101 102 103 104 105 101 6D-1 0.00064 102 6D+2 -0.00000 0.00032 103 6D-2 0.00000 0.00000 0.00010 104 7D 0 -0.00000 0.00000 0.00000 0.00281 105 7D+1 0.00000 0.00000 -0.00000 0.00000 0.00162 106 7D-1 0.00039 0.00000 0.00000 -0.00000 0.00000 107 7D+2 0.00000 0.00012 -0.00000 -0.00000 0.00000 108 7D-2 0.00000 0.00000 0.00012 -0.00000 -0.00000 109 5 C 1S -0.00001 -0.00001 -0.00000 0.00002 -0.00000 110 2S -0.00002 -0.00001 -0.00000 0.00005 -0.00000 111 2PX 0.00000 0.00000 0.00005 0.00000 0.00056 112 2PY 0.00034 0.00007 0.00000 0.00013 0.00000 113 2PZ 0.00002 0.00014 0.00000 0.00179 0.00000 114 3S 0.00068 0.00028 0.00000 -0.00036 0.00000 115 3PX 0.00000 0.00000 0.00035 0.00000 0.00211 116 3PY 0.00095 0.00015 0.00000 0.00053 0.00000 117 3PZ 0.00003 0.00049 0.00000 0.00634 0.00000 118 4S 0.00017 -0.00002 0.00000 -0.00035 0.00000 119 4PX 0.00000 0.00000 0.00019 0.00000 0.00164 120 4PY 0.00006 -0.00002 0.00000 0.00028 -0.00000 121 4PZ 0.00002 0.00007 -0.00000 0.00370 -0.00000 122 5S -0.00001 -0.00000 -0.00000 0.00008 -0.00000 123 5PX -0.00000 0.00000 -0.00000 0.00000 0.00001 124 5PY -0.00001 0.00001 0.00000 0.00001 0.00000 125 5PZ -0.00000 0.00000 0.00000 0.00021 -0.00000 126 6D 0 -0.00000 -0.00000 0.00000 -0.00001 0.00000 127 6D+1 0.00000 -0.00000 0.00001 -0.00000 -0.00000 128 6D-1 0.00004 0.00001 0.00000 -0.00002 -0.00000 129 6D+2 0.00001 0.00002 0.00000 -0.00004 -0.00000 130 6D-2 0.00000 0.00000 0.00000 -0.00000 -0.00003 131 7D 0 -0.00004 -0.00004 0.00000 -0.00025 -0.00000 132 7D+1 -0.00000 -0.00000 0.00001 -0.00000 0.00002 133 7D-1 -0.00000 -0.00000 -0.00000 -0.00005 -0.00000 134 7D+2 -0.00001 0.00000 0.00000 -0.00035 -0.00000 135 7D-2 -0.00000 -0.00000 0.00000 0.00000 -0.00031 136 6 C 1S 0.00000 -0.00000 0.00000 -0.00002 0.00000 137 2S -0.00000 0.00000 -0.00000 -0.00002 0.00000 138 2PX 0.00000 0.00000 0.00000 -0.00000 0.00000 139 2PY -0.00000 0.00000 -0.00000 0.00009 -0.00000 140 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 141 3S -0.00000 0.00000 -0.00000 0.00050 -0.00000 142 3PX 0.00000 0.00000 0.00000 -0.00000 0.00000 143 3PY -0.00000 0.00002 -0.00000 0.00057 -0.00000 144 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 145 4S 0.00000 0.00002 0.00000 0.00041 -0.00000 146 4PX 0.00000 0.00000 0.00004 0.00000 0.00000 147 4PY -0.00000 0.00005 -0.00000 0.00041 -0.00000 148 4PZ -0.00002 -0.00000 0.00000 -0.00000 0.00000 149 5S -0.00000 0.00002 0.00000 0.00023 -0.00000 150 5PX 0.00000 -0.00000 0.00001 -0.00000 0.00000 151 5PY -0.00000 0.00000 -0.00000 0.00007 0.00000 152 5PZ 0.00001 0.00000 -0.00000 0.00000 0.00000 153 6D 0 0.00000 0.00000 0.00000 0.00001 -0.00000 154 6D+1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 155 6D-1 -0.00000 -0.00000 -0.00000 0.00000 0.00000 156 6D+2 0.00000 0.00000 0.00000 0.00001 -0.00000 157 6D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.00000 0.00001 0.00000 0.00022 -0.00000 159 7D+1 -0.00000 -0.00000 0.00000 -0.00000 0.00003 160 7D-1 0.00000 -0.00000 -0.00000 0.00000 0.00000 161 7D+2 -0.00000 0.00001 0.00000 0.00011 -0.00000 162 7D-2 0.00000 0.00000 0.00001 0.00000 0.00000 163 7 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 164 2S 0.00000 -0.00000 0.00000 0.00001 -0.00000 165 3S 0.00000 0.00000 0.00000 0.00010 -0.00000 166 4PX -0.00000 0.00000 0.00000 -0.00000 0.00000 167 4PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 168 4PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 169 8 Mg 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 170 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 171 3S -0.00000 0.00000 0.00000 0.00000 0.00000 172 4S -0.00000 0.00000 0.00000 -0.00001 -0.00000 173 5S 0.00001 -0.00000 -0.00000 0.00172 0.00000 174 6S -0.00000 -0.00000 -0.00000 0.00018 0.00000 175 7S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 176 7PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 177 7PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 178 7PZ 0.00000 0.00000 0.00000 0.00001 -0.00000 179 8PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 180 8PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 181 8PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 182 9PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 183 9PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 184 9PZ -0.00000 0.00000 0.00000 -0.00003 -0.00000 185 10PX 0.00000 -0.00000 0.00000 0.00000 0.00003 186 10PY 0.00000 0.00000 0.00000 -0.00002 -0.00000 187 10PZ 0.00000 -0.00000 -0.00000 0.00056 0.00000 188 11PX -0.00000 -0.00000 0.00000 0.00000 0.00014 189 11PY 0.00000 -0.00000 -0.00000 -0.00004 -0.00000 190 11PZ -0.00000 -0.00000 -0.00000 0.00032 0.00000 191 12PX -0.00000 0.00000 0.00000 0.00000 0.00002 192 12PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 193 12PZ 0.00000 0.00000 0.00000 -0.00008 0.00000 194 13D 0 0.00000 -0.00000 -0.00000 0.00010 0.00000 195 13D+1 -0.00000 0.00000 0.00000 0.00000 0.00002 196 13D-1 0.00000 0.00000 0.00000 0.00002 0.00000 197 13D+2 -0.00000 0.00000 0.00000 -0.00000 0.00000 198 13D-2 0.00000 0.00000 0.00000 -0.00000 -0.00000 199 14D 0 0.00000 -0.00000 -0.00000 -0.00005 0.00000 200 14D+1 -0.00000 -0.00000 0.00000 0.00000 0.00016 201 14D-1 0.00000 -0.00000 -0.00000 0.00006 -0.00000 202 14D+2 0.00000 0.00000 0.00000 -0.00002 0.00000 203 14D-2 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 204 9 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 205 2S 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 -0.00000 -0.00000 207 4S 0.00000 0.00000 0.00000 -0.00000 -0.00000 208 5S 0.00000 0.00000 0.00000 0.00000 0.00000 209 6S 0.00000 0.00000 0.00000 0.00000 0.00000 210 7S 0.00000 0.00000 0.00000 -0.00000 -0.00000 211 8S -0.00000 0.00000 0.00000 -0.00000 -0.00000 212 9S 0.00000 0.00000 0.00000 0.00004 0.00000 213 9PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 214 9PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 215 9PZ 0.00000 0.00000 0.00000 0.00003 0.00000 216 10PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 217 10PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 218 10PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 219 11PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 220 11PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 221 11PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00000 0.00000 0.00000 0.00000 224 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 0.00000 0.00000 0.00000 0.00000 227 13PZ 0.00000 0.00000 0.00000 0.00000 0.00000 228 14PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 229 14PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 230 14PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 231 15PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 232 15PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 233 15PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 234 16PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 235 16PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 236 16PZ -0.00000 0.00000 0.00000 -0.00002 -0.00000 237 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00000 -0.00000 -0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 0.00000 0.00000 0.00000 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00000 0.00000 0.00000 0.00000 245 18D+2 0.00000 0.00000 0.00000 -0.00000 -0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 -0.00000 0.00000 0.00000 0.00000 248 19D+1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 249 19D-1 -0.00000 -0.00000 0.00000 0.00000 0.00000 250 19D+2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 251 19D-2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 252 20D 0 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 253 20D+1 -0.00000 0.00000 0.00000 -0.00000 0.00000 254 20D-1 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 255 20D+2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 256 20D-2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 257 10 H 1S 0.00066 0.00041 -0.00000 0.00018 -0.00000 258 2S 0.00062 0.00036 -0.00000 0.00018 -0.00000 259 3S 0.00005 0.00002 -0.00000 0.00010 -0.00000 260 4PX -0.00000 -0.00000 -0.00003 -0.00000 -0.00002 261 4PY 0.00007 0.00005 -0.00000 -0.00001 0.00000 262 4PZ -0.00001 0.00001 -0.00000 -0.00005 -0.00000 263 11 H 1S 0.00000 0.00000 0.00000 0.00003 0.00000 264 2S 0.00007 0.00000 0.00000 -0.00001 0.00000 265 3S 0.00004 0.00000 0.00000 -0.00021 -0.00000 266 4PX 0.00000 0.00000 0.00000 0.00000 0.00004 267 4PY 0.00000 -0.00000 0.00000 0.00001 -0.00000 268 4PZ 0.00000 -0.00000 0.00000 0.00003 -0.00000 269 12 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 270 2S -0.00000 -0.00000 -0.00000 0.00001 0.00000 271 3S -0.00000 -0.00000 -0.00000 0.00005 0.00000 272 4PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 273 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 275 13 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 276 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 277 3S 0.00000 0.00000 -0.00000 0.00001 -0.00000 278 4PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 279 4PY 0.00000 0.00000 0.00000 0.00000 -0.00000 280 4PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 106 107 108 109 110 106 7D-1 0.00357 107 7D+2 0.00000 0.00092 108 7D-2 0.00000 -0.00000 0.00077 109 5 C 1S -0.00128 -0.00006 -0.00000 0.65883 110 2S -0.00181 -0.00004 -0.00000 0.49238 0.49002 111 2PX 0.00000 0.00000 0.00096 0.00000 0.00000 112 2PY 0.00068 -0.00010 -0.00000 0.00000 0.00000 113 2PZ -0.00003 0.00101 -0.00000 0.00000 0.00000 114 3S 0.00688 -0.00016 0.00000 -0.02499 -0.05783 115 3PX 0.00000 0.00000 0.00368 0.00000 0.00000 116 3PY 0.00131 0.00003 -0.00000 0.00000 0.00000 117 3PZ 0.00164 0.00269 0.00000 0.00000 0.00000 118 4S 0.00391 -0.00103 0.00000 -0.01324 -0.02284 119 4PX 0.00000 0.00000 0.00264 0.00000 0.00000 120 4PY 0.00001 0.00029 -0.00000 0.00000 0.00000 121 4PZ 0.00272 0.00078 -0.00000 0.00000 0.00000 122 5S -0.00072 0.00027 -0.00000 0.00857 0.01341 123 5PX 0.00000 0.00000 -0.00006 0.00000 0.00000 124 5PY -0.00010 0.00000 0.00000 0.00000 0.00000 125 5PZ 0.00023 0.00003 0.00000 0.00000 0.00000 126 6D 0 0.00000 -0.00000 0.00000 0.00000 0.00000 127 6D+1 -0.00000 -0.00000 0.00003 0.00000 0.00000 128 6D-1 -0.00000 -0.00001 -0.00000 0.00000 0.00000 129 6D+2 -0.00000 0.00000 0.00000 -0.00000 -0.00000 130 6D-2 0.00000 -0.00000 -0.00002 -0.00000 -0.00000 131 7D 0 -0.00050 -0.00029 -0.00000 -0.00000 -0.00000 132 7D+1 -0.00000 -0.00000 0.00003 -0.00000 -0.00000 133 7D-1 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 134 7D+2 0.00008 0.00001 -0.00000 0.00000 0.00000 135 7D-2 0.00000 -0.00000 -0.00009 0.00000 0.00000 136 6 C 1S 0.00000 -0.00001 -0.00000 0.00000 0.00000 137 2S 0.00000 -0.00002 -0.00000 0.00000 -0.00000 138 2PX 0.00000 0.00000 0.00006 0.00000 0.00000 139 2PY -0.00000 0.00017 -0.00000 -0.00003 -0.00002 140 2PZ -0.00002 -0.00000 0.00000 -0.00001 -0.00001 141 3S -0.00000 0.00068 -0.00000 -0.00031 -0.00052 142 3PX 0.00000 0.00000 0.00056 0.00000 0.00000 143 3PY -0.00000 0.00102 -0.00000 -0.00115 -0.00201 144 3PZ -0.00015 -0.00000 0.00000 -0.00046 -0.00078 145 4S -0.00000 0.00053 0.00000 -0.00067 -0.00131 146 4PX 0.00000 0.00000 0.00138 0.00000 0.00000 147 4PY -0.00000 0.00061 -0.00000 -0.00092 -0.00187 148 4PZ -0.00075 -0.00000 0.00000 -0.00042 -0.00051 149 5S 0.00000 0.00001 0.00000 -0.00178 -0.00217 150 5PX 0.00000 -0.00000 0.00024 0.00000 0.00000 151 5PY -0.00000 0.00006 -0.00000 -0.00063 -0.00106 152 5PZ 0.00072 0.00000 0.00000 -0.00025 -0.00052 153 6D 0 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 154 6D+1 -0.00000 -0.00000 -0.00000 0.00000 0.00000 155 6D-1 0.00000 -0.00000 0.00000 -0.00001 -0.00002 156 6D+2 -0.00000 0.00001 -0.00000 -0.00001 -0.00001 157 6D-2 0.00000 0.00000 0.00001 0.00000 0.00000 158 7D 0 -0.00000 0.00011 -0.00000 0.00002 0.00005 159 7D+1 -0.00000 -0.00000 -0.00000 0.00000 0.00000 160 7D-1 0.00049 0.00000 0.00000 -0.00128 -0.00181 161 7D+2 -0.00000 0.00013 -0.00000 -0.00006 -0.00004 162 7D-2 0.00000 0.00000 0.00012 0.00000 0.00000 163 7 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 164 2S -0.00000 -0.00001 0.00000 0.00001 0.00001 165 3S -0.00003 0.00006 0.00000 0.00022 0.00035 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 168 4PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 169 8 Mg 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 170 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 171 3S 0.00000 -0.00000 0.00000 0.00000 -0.00000 172 4S -0.00000 0.00000 0.00000 0.00000 0.00000 173 5S 0.00116 -0.00014 0.00000 -0.00057 -0.00115 174 6S 0.00012 -0.00001 0.00000 0.00027 0.00023 175 7S -0.00000 0.00000 -0.00000 0.00005 0.00008 176 7PX 0.00000 0.00000 -0.00000 0.00000 0.00000 177 7PY 0.00000 -0.00000 0.00000 0.00000 0.00000 178 7PZ 0.00000 0.00000 -0.00000 0.00005 0.00009 179 8PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 180 8PY -0.00000 0.00000 0.00000 0.00000 -0.00000 181 8PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 182 9PX -0.00000 0.00000 -0.00000 0.00000 0.00000 183 9PY -0.00000 0.00000 0.00000 0.00000 0.00000 184 9PZ -0.00002 0.00000 -0.00000 0.00000 0.00000 185 10PX 0.00000 -0.00000 0.00001 -0.00000 -0.00000 186 10PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 187 10PZ 0.00055 -0.00007 0.00000 -0.00018 -0.00038 188 11PX 0.00000 -0.00000 0.00005 0.00000 0.00000 189 11PY 0.00001 -0.00000 -0.00000 0.00000 0.00000 190 11PZ 0.00032 -0.00007 -0.00000 0.00025 0.00033 191 12PX -0.00000 -0.00000 0.00002 -0.00000 -0.00000 192 12PY 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 193 12PZ 0.00012 -0.00001 0.00000 -0.00197 -0.00304 194 13D 0 0.00012 -0.00002 -0.00000 -0.00004 -0.00010 195 13D+1 0.00000 0.00000 0.00001 -0.00000 -0.00000 196 13D-1 0.00001 0.00000 -0.00000 -0.00000 -0.00000 197 13D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 198 13D-2 -0.00000 0.00000 -0.00000 0.00000 0.00000 199 14D 0 0.00031 -0.00009 -0.00000 0.00043 0.00035 200 14D+1 0.00000 -0.00000 0.00009 0.00000 0.00000 201 14D-1 -0.00000 0.00000 -0.00000 0.00000 0.00000 202 14D+2 0.00002 0.00000 0.00000 0.00000 0.00000 203 14D-2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 204 9 Br 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 205 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 206 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 207 4S -0.00000 0.00000 -0.00000 0.00000 0.00000 208 5S 0.00000 -0.00000 0.00000 0.00000 0.00000 209 6S 0.00000 -0.00000 0.00000 0.00000 0.00000 210 7S -0.00000 0.00000 -0.00000 0.00000 0.00000 211 8S -0.00000 0.00000 -0.00000 0.00000 0.00000 212 9S 0.00002 -0.00000 0.00000 -0.00019 -0.00028 213 9PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 214 9PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 215 9PZ 0.00002 -0.00000 0.00000 -0.00019 -0.00029 216 10PX -0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY -0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 219 11PX -0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY -0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 222 12PX 0.00000 -0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 224 12PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 225 13PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 226 13PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 227 13PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 228 14PX -0.00000 0.00000 0.00000 0.00000 -0.00000 229 14PY -0.00000 0.00000 0.00000 0.00000 -0.00000 230 14PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 231 15PX -0.00000 0.00000 -0.00000 0.00000 0.00000 232 15PY -0.00000 -0.00000 0.00000 0.00000 0.00000 233 15PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 234 16PX -0.00000 0.00000 0.00000 0.00000 0.00000 235 16PY 0.00000 -0.00000 0.00000 0.00000 0.00000 236 16PZ -0.00001 0.00000 -0.00000 0.00000 0.00000 237 17D 0 0.00000 -0.00000 -0.00000 0.00000 0.00000 238 17D+1 0.00000 -0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 -0.00000 -0.00000 0.00000 0.00000 240 17D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 241 17D-2 0.00000 0.00000 -0.00000 0.00000 0.00000 242 18D 0 0.00000 -0.00000 -0.00000 0.00000 -0.00000 243 18D+1 0.00000 -0.00000 0.00000 0.00000 -0.00000 244 18D-1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 245 18D+2 -0.00000 0.00000 0.00000 -0.00000 -0.00000 246 18D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 247 19D 0 0.00000 -0.00000 -0.00000 -0.00000 0.00000 248 19D+1 0.00000 -0.00000 0.00000 -0.00000 0.00000 249 19D-1 0.00000 0.00000 -0.00000 -0.00000 0.00000 250 19D+2 -0.00000 0.00000 0.00000 0.00000 -0.00000 251 19D-2 -0.00000 0.00000 -0.00000 0.00000 -0.00000 252 20D 0 -0.00000 0.00000 -0.00000 0.00000 0.00000 253 20D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 254 20D-1 -0.00000 -0.00000 -0.00000 0.00000 0.00000 255 20D+2 -0.00000 0.00000 0.00000 0.00000 -0.00000 256 20D-2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 257 10 H 1S 0.00092 0.00029 -0.00000 0.00000 0.00000 258 2S 0.00095 0.00022 -0.00000 0.00001 0.00001 259 3S 0.00050 0.00021 -0.00000 0.00022 0.00035 260 4PX -0.00000 -0.00000 -0.00009 -0.00000 -0.00000 261 4PY -0.00001 0.00000 -0.00000 -0.00000 -0.00000 262 4PZ -0.00000 -0.00002 -0.00000 -0.00000 -0.00000 263 11 H 1S 0.00035 0.00003 0.00000 -0.00000 0.00000 264 2S 0.00127 0.00014 0.00000 -0.00000 -0.00000 265 3S 0.00036 0.00005 0.00000 -0.00001 -0.00001 266 4PX 0.00000 0.00000 0.00001 -0.00000 0.00000 267 4PY 0.00001 -0.00000 0.00000 0.00000 -0.00000 268 4PZ 0.00010 -0.00000 0.00000 -0.00000 0.00000 269 12 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 270 2S -0.00002 -0.00000 -0.00000 -0.00000 -0.00000 271 3S -0.00007 -0.00001 0.00000 0.00000 0.00000 272 4PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 273 4PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 274 4PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 275 13 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 276 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 277 3S 0.00006 0.00001 -0.00000 -0.00001 -0.00001 278 4PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 279 4PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 280 4PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 111 112 113 114 115 111 2PX 0.06078 112 2PY 0.00000 0.08752 113 2PZ 0.00000 0.00000 0.09386 114 3S 0.00000 0.00000 0.00000 0.42000 115 3PX 0.05854 0.00000 0.00000 0.00000 0.14248 116 3PY 0.00000 0.07645 0.00000 0.00000 0.00000 117 3PZ 0.00000 0.00000 0.08694 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.21465 0.00000 119 4PX 0.01662 0.00000 0.00000 0.00000 0.07542 120 4PY 0.00000 0.01675 0.00000 0.00000 0.00000 121 4PZ 0.00000 0.00000 0.01970 0.00000 0.00000 122 5S 0.00000 0.00000 0.00000 -0.14283 0.00000 123 5PX -0.00048 -0.00000 0.00000 0.00000 -0.00297 124 5PY -0.00000 -0.00021 0.00000 0.00000 -0.00000 125 5PZ 0.00000 0.00000 0.00176 0.00000 0.00000 126 6D 0 0.00000 0.00000 0.00000 -0.00000 0.00000 127 6D+1 0.00000 0.00000 0.00000 -0.00000 0.00000 128 6D-1 0.00000 0.00000 0.00000 -0.00000 0.00000 129 6D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 134 7D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 135 7D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 136 6 C 1S 0.00000 -0.00003 -0.00001 -0.00031 0.00000 137 2S 0.00000 -0.00002 -0.00001 -0.00052 0.00000 138 2PX 0.00016 0.00000 0.00000 0.00000 0.00294 139 2PY 0.00000 0.00128 0.00059 0.00518 0.00000 140 2PZ 0.00000 0.00061 0.00012 0.00195 0.00000 141 3S -0.00000 0.00558 0.00227 0.01278 -0.00000 142 3PX 0.00295 0.00000 0.00000 0.00000 0.01772 143 3PY 0.00000 0.00901 0.00496 0.02820 0.00000 144 3PZ 0.00000 0.00514 0.00047 0.01075 0.00000 145 4S 0.00000 0.00173 0.00122 0.01822 0.00000 146 4PX 0.00446 0.00000 0.00000 0.00000 0.02359 147 4PY 0.00000 0.00095 0.00204 0.02240 0.00000 148 4PZ 0.00000 0.00166 -0.00106 0.00260 0.00000 149 5S 0.00000 -0.00061 0.00032 0.01306 0.00000 150 5PX 0.00077 0.00000 0.00000 0.00000 0.00470 151 5PY -0.00000 -0.00004 -0.00033 0.01188 -0.00000 152 5PZ 0.00000 0.00023 0.00159 0.00724 0.00000 153 6D 0 0.00000 0.00000 0.00007 0.00001 0.00000 154 6D+1 0.00002 -0.00000 0.00000 -0.00000 0.00012 155 6D-1 0.00000 0.00034 0.00002 0.00068 0.00000 156 6D+2 0.00000 0.00007 0.00014 0.00028 0.00000 157 6D-2 0.00005 0.00000 0.00000 -0.00000 0.00035 158 7D 0 0.00000 0.00013 0.00179 -0.00036 0.00000 159 7D+1 0.00056 0.00000 0.00000 -0.00000 0.00211 160 7D-1 0.00000 0.00068 -0.00003 0.00688 0.00000 161 7D+2 0.00000 -0.00010 0.00101 -0.00016 0.00000 162 7D-2 0.00096 0.00000 0.00000 -0.00000 0.00368 163 7 H 1S -0.00000 -0.00000 0.00000 -0.00006 -0.00000 164 2S -0.00000 -0.00027 -0.00001 -0.00108 -0.00000 165 3S -0.00000 -0.00105 0.00007 -0.00429 -0.00000 166 4PX 0.00000 -0.00000 0.00000 -0.00000 0.00004 167 4PY -0.00000 0.00000 -0.00000 0.00002 -0.00000 168 4PZ 0.00000 0.00000 -0.00000 0.00001 0.00000 169 8 Mg 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S 0.00000 0.00000 0.00000 0.00000 0.00000 171 3S -0.00000 -0.00000 -0.00000 -0.00004 -0.00000 172 4S -0.00000 -0.00000 -0.00003 -0.00036 -0.00000 173 5S 0.00000 0.00000 0.00608 0.01827 0.00000 174 6S 0.00000 0.00000 0.00050 0.00163 0.00000 175 7S -0.00000 -0.00000 -0.00001 -0.00081 -0.00000 176 7PX -0.00001 -0.00000 0.00000 -0.00000 -0.00007 177 7PY -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 178 7PZ 0.00000 -0.00000 0.00003 -0.00113 0.00000 179 8PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 180 8PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 181 8PZ -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 182 9PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00006 183 9PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 184 9PZ -0.00000 -0.00000 -0.00007 -0.00051 -0.00000 185 10PX 0.00014 0.00000 0.00000 0.00000 0.00105 186 10PY 0.00000 0.00008 0.00000 0.00000 0.00000 187 10PZ 0.00000 0.00000 0.00329 0.00739 0.00000 188 11PX 0.00051 0.00000 0.00000 -0.00000 0.00305 189 11PY 0.00000 -0.00004 0.00000 -0.00000 0.00000 190 11PZ 0.00000 0.00000 0.00146 -0.00248 0.00000 191 12PX 0.00019 0.00000 -0.00000 0.00000 0.00119 192 12PY 0.00000 -0.00007 0.00000 0.00000 0.00000 193 12PZ -0.00000 0.00000 0.00002 0.03180 -0.00000 194 13D 0 0.00000 0.00000 0.00101 0.00269 0.00000 195 13D+1 0.00015 0.00000 -0.00000 0.00000 0.00116 196 13D-1 0.00000 0.00010 0.00000 0.00000 0.00000 197 13D+2 0.00000 0.00000 -0.00000 -0.00000 0.00000 198 13D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 199 14D 0 -0.00000 0.00000 0.00041 0.00187 -0.00000 200 14D+1 0.00083 0.00000 -0.00000 0.00000 0.00453 201 14D-1 0.00000 -0.00015 0.00000 0.00000 0.00000 202 14D+2 0.00000 -0.00000 0.00000 -0.00000 0.00000 203 14D-2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 204 9 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 205 2S 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 -0.00000 -0.00000 207 4S 0.00000 0.00000 0.00000 -0.00000 -0.00000 208 5S 0.00000 0.00000 0.00000 0.00000 0.00000 209 6S 0.00000 0.00000 0.00000 -0.00000 0.00000 210 7S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 211 8S -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 212 9S 0.00000 0.00000 0.00002 0.00323 0.00000 213 9PX -0.00001 -0.00000 0.00000 0.00000 -0.00006 214 9PY -0.00000 0.00000 0.00000 0.00000 -0.00000 215 9PZ 0.00000 0.00000 0.00002 0.00316 0.00000 216 10PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 217 10PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 218 10PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 219 11PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 220 11PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 221 11PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00000 0.00000 0.00000 0.00000 224 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 0.00000 0.00000 0.00000 0.00000 227 13PZ 0.00000 0.00000 0.00000 0.00000 0.00000 228 14PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 229 14PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 230 14PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 231 15PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 232 15PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 233 15PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 234 16PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 235 16PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 236 16PZ -0.00000 -0.00000 -0.00005 -0.00015 -0.00000 237 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 242 18D 0 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 243 18D+1 0.00000 0.00000 -0.00000 -0.00000 0.00000 244 18D-1 0.00000 -0.00000 -0.00000 -0.00000 0.00000 245 18D+2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 246 18D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00000 0.00000 0.00000 0.00000 248 19D+1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 249 19D-1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 250 19D+2 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 251 19D-2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 252 20D 0 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 253 20D+1 0.00000 0.00000 -0.00000 -0.00000 0.00000 254 20D-1 0.00000 0.00000 -0.00000 -0.00000 0.00000 255 20D+2 0.00000 -0.00000 0.00000 0.00000 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S -0.00000 -0.00000 0.00000 -0.00006 -0.00000 258 2S -0.00000 -0.00027 -0.00001 -0.00108 -0.00000 259 3S 0.00000 -0.00105 0.00007 -0.00429 0.00000 260 4PX 0.00000 0.00000 0.00000 0.00000 0.00004 261 4PY -0.00000 0.00000 -0.00000 0.00002 -0.00000 262 4PZ 0.00000 0.00000 -0.00000 0.00001 0.00000 263 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00000 265 3S 0.00000 0.00005 0.00005 0.00022 0.00000 266 4PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 267 4PY 0.00000 0.00000 0.00000 -0.00000 0.00000 268 4PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 269 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 270 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 271 3S -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 272 4PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 273 4PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 274 4PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 275 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 276 2S 0.00000 0.00000 0.00000 0.00000 0.00000 277 3S 0.00000 0.00005 0.00005 0.00022 0.00000 278 4PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 279 4PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 280 4PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 116 117 118 119 120 116 3PY 0.16885 117 3PZ 0.00000 0.20353 118 4S 0.00000 0.00000 0.26867 119 4PX 0.00000 0.00000 0.00000 0.09454 120 4PY 0.06897 0.00000 0.00000 0.00000 0.07142 121 4PZ 0.00000 0.08598 0.00000 0.00000 0.00000 122 5S 0.00000 0.00000 -0.16173 0.00000 0.00000 123 5PX -0.00000 0.00000 0.00000 -0.00604 -0.00000 124 5PY -0.00112 0.00000 0.00000 -0.00000 0.00303 125 5PZ 0.00000 0.00987 0.00000 0.00000 0.00000 126 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 127 6D+1 0.00000 0.00000 -0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00000 -0.00000 0.00000 0.00000 129 6D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 130 6D-2 0.00000 0.00000 -0.00000 0.00000 0.00000 131 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 134 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 135 7D-2 0.00000 0.00000 -0.00000 0.00000 0.00000 136 6 C 1S -0.00120 -0.00049 0.00010 -0.00000 -0.00132 137 2S -0.00211 -0.00089 0.00001 0.00000 -0.00250 138 2PX 0.00000 0.00000 0.00000 0.00428 0.00000 139 2PY 0.00887 0.00503 0.00232 0.00000 0.00154 140 2PZ 0.00493 0.00048 -0.00014 0.00000 0.00158 141 3S 0.02996 0.01312 0.00146 0.00000 0.02806 142 3PX 0.00000 0.00000 0.00000 0.02269 0.00000 143 3PY 0.02630 0.01869 0.01062 0.00000 0.00298 144 3PZ 0.01820 -0.00034 -0.00050 0.00000 0.00673 145 4S 0.00826 0.00615 0.00112 0.00000 0.00616 146 4PX 0.00000 0.00000 0.00000 0.03770 0.00000 147 4PY 0.00182 0.00866 0.00646 0.00000 -0.00479 148 4PZ 0.00660 -0.00620 -0.00845 0.00000 0.00416 149 5S -0.00329 0.00190 -0.01436 -0.00000 -0.01195 150 5PX 0.00000 0.00000 0.00000 0.01158 0.00000 151 5PY -0.00024 -0.00186 0.01711 -0.00000 -0.00131 152 5PZ 0.00117 0.00962 0.01479 0.00000 0.00244 153 6D 0 0.00001 0.00043 -0.00001 0.00000 0.00002 154 6D+1 -0.00000 -0.00000 -0.00000 0.00007 -0.00000 155 6D-1 0.00095 0.00003 0.00017 0.00000 0.00006 156 6D+2 0.00015 0.00049 -0.00002 0.00000 -0.00002 157 6D-2 -0.00000 0.00000 -0.00000 0.00019 -0.00000 158 7D 0 0.00053 0.00634 -0.00035 0.00000 0.00028 159 7D+1 0.00000 0.00000 0.00000 0.00164 0.00000 160 7D-1 0.00131 0.00164 0.00391 0.00000 0.00001 161 7D+2 0.00003 0.00269 -0.00103 0.00000 0.00029 162 7D-2 0.00000 0.00000 -0.00000 0.00264 -0.00000 163 7 H 1S -0.00019 0.00000 -0.00166 -0.00000 -0.00305 164 2S -0.00272 -0.00006 -0.00655 -0.00000 -0.01211 165 3S -0.00594 0.00042 -0.01558 -0.00000 -0.01312 166 4PX -0.00000 0.00000 -0.00000 0.00027 -0.00000 167 4PY 0.00012 -0.00000 -0.00013 -0.00000 0.00002 168 4PZ 0.00002 -0.00001 0.00001 0.00000 0.00006 169 8 Mg 1S 0.00000 0.00000 0.00003 0.00000 0.00000 170 2S 0.00000 0.00002 0.00030 0.00000 0.00000 171 3S -0.00000 -0.00032 -0.00329 -0.00000 -0.00000 172 4S -0.00000 -0.00219 -0.00855 -0.00000 -0.00000 173 5S 0.00000 0.03585 0.05345 0.00000 0.00000 174 6S 0.00000 0.00323 -0.01960 -0.00000 -0.00000 175 7S -0.00000 -0.00007 -0.00077 -0.00000 -0.00000 176 7PX -0.00000 0.00000 -0.00000 -0.00022 -0.00000 177 7PY -0.00005 -0.00000 -0.00000 -0.00000 -0.00003 178 7PZ -0.00000 0.00021 -0.00199 0.00000 -0.00000 179 8PX -0.00000 -0.00000 -0.00000 -0.00004 -0.00000 180 8PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00007 181 8PZ -0.00000 -0.00008 -0.00025 -0.00000 -0.00000 182 9PX -0.00000 -0.00000 -0.00000 -0.00042 -0.00000 183 9PY -0.00003 -0.00000 -0.00000 -0.00000 -0.00072 184 9PZ -0.00000 -0.00192 -0.00274 -0.00000 -0.00000 185 10PX 0.00000 0.00000 0.00000 0.00288 0.00000 186 10PY 0.00052 0.00000 0.00000 0.00000 0.00133 187 10PZ 0.00000 0.01737 0.02527 0.00000 0.00000 188 11PX 0.00000 0.00000 0.00000 0.00746 0.00000 189 11PY -0.00024 0.00000 0.00000 0.00000 0.00025 190 11PZ 0.00000 0.00704 0.00403 0.00000 0.00000 191 12PX 0.00000 -0.00000 0.00000 0.00313 0.00000 192 12PY -0.00040 0.00000 0.00000 0.00000 -0.00159 193 12PZ 0.00000 -0.00001 0.02543 -0.00000 0.00000 194 13D 0 0.00000 0.00465 0.00244 0.00000 0.00000 195 13D+1 0.00000 -0.00000 0.00000 0.00172 0.00000 196 13D-1 0.00068 0.00000 0.00000 0.00000 0.00043 197 13D+2 0.00000 -0.00000 -0.00000 0.00000 0.00000 198 13D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 199 14D 0 0.00000 0.00109 0.00251 -0.00000 0.00000 200 14D+1 0.00000 -0.00000 0.00000 0.00720 0.00000 201 14D-1 -0.00064 0.00000 0.00000 0.00000 -0.00326 202 14D+2 -0.00000 0.00000 0.00000 0.00000 -0.00000 203 14D-2 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 204 9 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 205 2S 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 207 4S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 208 5S 0.00000 0.00000 0.00000 0.00000 0.00000 209 6S 0.00000 0.00000 0.00000 0.00000 0.00000 210 7S -0.00000 -0.00000 -0.00002 -0.00000 -0.00000 211 8S -0.00000 -0.00004 -0.00030 -0.00000 -0.00000 212 9S 0.00000 0.00017 0.00470 0.00000 0.00000 213 9PX -0.00000 0.00000 0.00000 -0.00015 0.00000 214 9PY 0.00002 0.00000 0.00000 0.00000 0.00019 215 9PZ 0.00000 0.00017 0.00393 0.00000 0.00000 216 10PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 217 10PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 218 10PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 219 11PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 220 11PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 221 11PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 222 12PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 223 12PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 224 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 13PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 226 13PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 227 13PZ 0.00000 0.00000 0.00000 0.00000 0.00000 228 14PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 229 14PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 230 14PZ -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 231 15PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 232 15PY -0.00000 -0.00000 -0.00000 0.00000 0.00003 233 15PZ -0.00000 -0.00000 -0.00026 -0.00000 -0.00000 234 16PX -0.00000 -0.00000 -0.00000 0.00009 0.00000 235 16PY -0.00000 -0.00000 -0.00000 0.00000 0.00025 236 16PZ -0.00000 -0.00054 -0.00313 -0.00000 -0.00000 237 17D 0 0.00000 0.00000 0.00000 -0.00000 -0.00000 238 17D+1 0.00000 -0.00000 0.00000 -0.00000 -0.00000 239 17D-1 0.00000 0.00000 0.00000 -0.00000 -0.00000 240 17D+2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 241 17D-2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 242 18D 0 0.00000 -0.00000 0.00000 -0.00000 -0.00000 243 18D+1 0.00000 -0.00000 0.00000 -0.00000 -0.00000 244 18D-1 0.00000 -0.00000 0.00000 -0.00000 -0.00000 245 18D+2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 246 18D-2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 247 19D 0 0.00000 0.00000 -0.00000 -0.00000 -0.00000 248 19D+1 -0.00000 0.00000 0.00000 -0.00000 -0.00000 249 19D-1 -0.00000 0.00000 0.00000 -0.00000 -0.00000 250 19D+2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 251 19D-2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 252 20D 0 -0.00000 -0.00000 -0.00008 -0.00000 -0.00000 253 20D+1 0.00000 -0.00000 -0.00000 0.00001 0.00000 254 20D-1 -0.00000 -0.00000 -0.00000 0.00000 0.00001 255 20D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 256 20D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S -0.00019 0.00000 -0.00166 -0.00000 -0.00305 258 2S -0.00272 -0.00006 -0.00655 -0.00000 -0.01211 259 3S -0.00594 0.00042 -0.01558 0.00000 -0.01312 260 4PX 0.00000 0.00000 0.00000 0.00027 -0.00000 261 4PY 0.00012 -0.00000 -0.00013 -0.00000 0.00002 262 4PZ 0.00002 -0.00001 0.00001 0.00000 0.00006 263 11 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00005 264 2S 0.00001 0.00001 -0.00013 0.00000 0.00045 265 3S 0.00038 0.00041 -0.00037 0.00000 0.00147 266 4PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 267 4PY 0.00000 0.00000 -0.00001 0.00000 0.00001 268 4PZ -0.00000 -0.00000 0.00000 0.00000 0.00001 269 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 270 2S -0.00000 -0.00000 0.00009 -0.00000 -0.00000 271 3S -0.00000 -0.00004 0.00040 -0.00000 -0.00000 272 4PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 273 4PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 274 4PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 275 13 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00005 276 2S 0.00001 0.00001 -0.00013 0.00000 0.00045 277 3S 0.00038 0.00041 -0.00037 0.00000 0.00147 278 4PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 279 4PY 0.00000 0.00000 -0.00001 -0.00000 0.00001 280 4PZ -0.00000 -0.00000 0.00000 0.00000 0.00001 121 122 123 124 125 121 4PZ 0.10709 122 5S 0.00000 1.89053 123 5PX 0.00000 0.00000 0.00321 124 5PY 0.00000 0.00000 0.00000 0.20507 125 5PZ 0.03421 0.00000 0.00000 -0.00000 0.10470 126 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 129 6D+2 0.00000 -0.00000 0.00000 0.00000 0.00000 130 6D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00000 -0.00000 0.00000 0.00000 0.00000 132 7D+1 0.00000 -0.00000 0.00000 0.00000 0.00000 133 7D-1 0.00000 -0.00000 0.00000 0.00000 0.00000 134 7D+2 0.00000 -0.00000 0.00000 0.00000 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 C 1S -0.00006 0.00075 0.00000 -0.00055 0.00021 137 2S -0.00050 0.00081 0.00000 -0.00055 0.00019 138 2PX 0.00000 0.00000 -0.00036 -0.00000 -0.00000 139 2PY 0.00105 0.00040 -0.00000 -0.00057 0.00010 140 2PZ -0.00051 -0.00070 -0.00000 -0.00047 -0.00036 141 3S 0.01055 0.00028 0.00000 0.00027 0.00055 142 3PX 0.00000 0.00000 -0.00222 -0.00000 -0.00000 143 3PY 0.00465 0.00221 -0.00000 -0.00313 0.00057 144 3PZ -0.00285 -0.00382 -0.00000 -0.00248 -0.00201 145 4S 0.00659 -0.04369 0.00000 -0.00163 0.00519 146 4PX 0.00000 -0.00000 -0.00487 -0.00000 -0.00000 147 4PY 0.00447 0.00498 -0.00000 -0.00689 0.00118 148 4PZ -0.01027 0.00363 -0.00000 -0.00302 -0.00182 149 5S 0.00470 -0.22757 0.00000 -0.09832 0.00179 150 5PX 0.00000 0.00000 -0.00199 -0.00000 -0.00000 151 5PY -0.00299 -0.09212 0.00000 0.04319 0.00221 152 5PZ 0.01932 -0.05608 -0.00000 -0.01057 -0.01838 153 6D 0 0.00017 0.00000 0.00000 0.00002 0.00001 154 6D+1 -0.00000 0.00000 0.00000 0.00000 -0.00000 155 6D-1 0.00002 -0.00001 0.00000 -0.00001 -0.00000 156 6D+2 0.00007 -0.00000 0.00000 0.00001 0.00000 157 6D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 158 7D 0 0.00370 0.00008 0.00000 0.00001 0.00021 159 7D+1 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 160 7D-1 0.00272 -0.00072 0.00000 -0.00010 0.00023 161 7D+2 0.00078 0.00027 0.00000 0.00000 0.00003 162 7D-2 0.00000 0.00000 -0.00006 -0.00000 0.00000 163 7 H 1S 0.00014 -0.00297 -0.00000 -0.00647 0.00002 164 2S 0.00029 -0.01627 -0.00000 -0.02409 -0.00000 165 3S 0.00112 0.00416 -0.00000 -0.01692 0.00072 166 4PX 0.00000 -0.00000 -0.00005 0.00000 -0.00000 167 4PY 0.00001 -0.00046 0.00000 -0.00012 -0.00000 168 4PZ -0.00003 0.00001 -0.00000 0.00001 -0.00006 169 8 Mg 1S 0.00010 0.00020 0.00000 0.00000 0.00011 170 2S 0.00084 0.00172 0.00000 0.00000 0.00088 171 3S -0.00856 -0.01416 -0.00000 -0.00000 -0.00788 172 4S -0.01993 -0.01305 -0.00000 -0.00000 -0.01268 173 5S 0.05921 -0.39188 -0.00000 -0.00000 -0.04413 174 6S -0.00532 -0.44423 -0.00000 -0.00000 -0.08259 175 7S -0.00006 0.02311 0.00000 0.00000 0.00197 176 7PX 0.00000 0.00000 0.00005 0.00000 -0.00000 177 7PY -0.00000 0.00000 0.00000 0.00002 0.00000 178 7PZ 0.00052 0.01708 -0.00000 0.00000 -0.00164 179 8PX -0.00000 0.00000 0.00002 0.00000 0.00000 180 8PY -0.00000 0.00000 0.00000 0.00147 0.00000 181 8PZ -0.00084 0.00045 0.00000 0.00000 -0.00002 182 9PX -0.00000 0.00000 0.00023 0.00000 0.00000 183 9PY -0.00000 0.00000 0.00000 0.01571 0.00000 184 9PZ -0.00770 0.00469 0.00000 0.00000 -0.00015 185 10PX 0.00000 0.00000 -0.00002 0.00000 -0.00000 186 10PY 0.00000 0.00000 0.00000 0.00691 0.00000 187 10PZ 0.02122 0.01051 -0.00000 0.00000 0.00177 188 11PX 0.00000 -0.00000 -0.00040 -0.00000 0.00000 189 11PY 0.00000 -0.00000 -0.00000 -0.01030 -0.00000 190 11PZ 0.00430 -0.05121 0.00000 -0.00000 0.00070 191 12PX -0.00000 -0.00000 -0.00105 -0.00000 0.00000 192 12PY 0.00000 -0.00000 -0.00000 -0.00486 -0.00000 193 12PZ -0.00051 -0.27351 0.00000 -0.00000 0.02593 194 13D 0 0.00146 -0.00342 0.00000 -0.00000 0.00044 195 13D+1 -0.00000 -0.00000 -0.00010 -0.00000 -0.00000 196 13D-1 0.00000 -0.00000 -0.00000 -0.00008 -0.00000 197 13D+2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 198 13D-2 -0.00000 0.00000 -0.00000 -0.00000 0.00000 199 14D 0 -0.00097 -0.02584 0.00000 -0.00000 0.00571 200 14D+1 0.00000 -0.00000 -0.00086 -0.00000 -0.00000 201 14D-1 0.00000 -0.00000 -0.00000 -0.00198 -0.00000 202 14D+2 -0.00000 0.00000 -0.00000 -0.00000 0.00000 203 14D-2 -0.00000 0.00000 -0.00000 -0.00000 0.00000 204 9 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 205 2S 0.00000 0.00001 0.00000 0.00000 0.00001 206 3S -0.00000 -0.00006 -0.00000 -0.00000 -0.00009 207 4S -0.00000 -0.00014 -0.00000 -0.00000 -0.00020 208 5S 0.00000 0.00061 0.00000 0.00000 0.00084 209 6S 0.00000 0.00143 0.00000 0.00000 0.00175 210 7S -0.00006 -0.00706 -0.00000 -0.00000 -0.00485 211 8S -0.00073 -0.00050 -0.00000 -0.00000 -0.00397 212 9S 0.00109 -0.05655 -0.00000 -0.00000 -0.01546 213 9PX 0.00000 -0.00000 0.00022 0.00000 -0.00000 214 9PY 0.00000 -0.00000 0.00000 0.00019 -0.00000 215 9PZ 0.00075 -0.03544 -0.00000 -0.00000 -0.00628 216 10PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 217 10PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 218 10PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 219 11PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 220 11PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 221 11PZ -0.00000 -0.00002 -0.00000 -0.00000 -0.00002 222 12PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 223 12PY 0.00000 0.00000 -0.00000 0.00000 0.00000 224 12PZ 0.00000 0.00047 0.00000 0.00000 0.00045 225 13PX 0.00000 0.00000 -0.00001 -0.00000 0.00000 226 13PY 0.00000 0.00000 -0.00000 0.00000 0.00000 227 13PZ 0.00000 0.00062 0.00000 0.00000 0.00057 228 14PX -0.00000 -0.00000 0.00003 0.00000 -0.00000 229 14PY -0.00000 -0.00000 0.00000 -0.00002 -0.00000 230 14PZ -0.00003 -0.00306 -0.00000 -0.00000 -0.00272 231 15PX -0.00000 -0.00000 0.00021 0.00000 -0.00000 232 15PY -0.00000 -0.00000 0.00000 -0.00013 -0.00000 233 15PZ -0.00072 -0.02406 -0.00000 -0.00000 -0.02011 234 16PX -0.00000 -0.00000 0.00047 0.00000 -0.00000 235 16PY -0.00000 -0.00000 0.00000 -0.00039 -0.00000 236 16PZ -0.00543 -0.04574 -0.00000 -0.00000 -0.03460 237 17D 0 -0.00000 -0.00000 -0.00000 -0.00000 -0.00003 238 17D+1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 239 17D-1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 240 17D+2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 241 17D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 242 18D 0 -0.00000 -0.00001 -0.00000 -0.00000 -0.00008 243 18D+1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 244 18D-1 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 245 18D+2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 246 18D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 247 19D 0 -0.00000 -0.00012 -0.00000 -0.00000 -0.00009 248 19D+1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 249 19D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 250 19D+2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 251 19D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 252 20D 0 -0.00021 -0.00170 -0.00000 -0.00000 -0.00118 253 20D+1 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 254 20D-1 -0.00000 -0.00000 -0.00000 -0.00005 -0.00000 255 20D+2 0.00000 -0.00000 0.00000 -0.00000 0.00000 256 20D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 257 10 H 1S 0.00014 -0.00297 -0.00000 -0.00647 0.00002 258 2S 0.00029 -0.01627 -0.00000 -0.02409 -0.00000 259 3S 0.00112 0.00416 -0.00000 -0.01692 0.00072 260 4PX 0.00000 -0.00000 -0.00005 0.00000 -0.00000 261 4PY 0.00001 -0.00046 0.00000 -0.00012 -0.00000 262 4PZ -0.00003 0.00001 -0.00000 0.00001 -0.00006 263 11 H 1S 0.00004 0.00189 0.00000 0.00086 0.00123 264 2S 0.00046 0.00916 0.00000 0.00364 0.00509 265 3S 0.00125 0.00864 0.00000 0.00301 0.00255 266 4PX 0.00000 0.00000 -0.00001 0.00000 0.00000 267 4PY 0.00001 0.00017 0.00000 0.00001 0.00010 268 4PZ -0.00001 0.00012 0.00000 0.00012 0.00001 269 12 H 1S 0.00001 -0.00073 -0.00000 -0.00000 -0.00095 270 2S -0.00001 -0.00422 -0.00000 -0.00000 -0.00419 271 3S -0.00007 -0.00032 -0.00000 -0.00000 -0.00347 272 4PX 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 273 4PY -0.00000 -0.00000 -0.00000 -0.00004 -0.00000 274 4PZ -0.00000 -0.00020 -0.00000 -0.00000 -0.00012 275 13 H 1S 0.00004 0.00189 0.00000 0.00086 0.00123 276 2S 0.00046 0.00916 0.00000 0.00364 0.00509 277 3S 0.00125 0.00864 0.00000 0.00301 0.00255 278 4PX -0.00000 0.00000 -0.00001 0.00000 0.00000 279 4PY 0.00001 0.00017 0.00000 0.00001 0.00010 280 4PZ -0.00001 0.00012 0.00000 0.00012 0.00001 126 127 128 129 130 126 6D 0 0.00011 127 6D+1 0.00000 0.00014 128 6D-1 -0.00000 0.00000 0.00086 129 6D+2 0.00000 0.00000 0.00000 0.00036 130 6D-2 0.00000 -0.00000 0.00000 0.00000 0.00018 131 7D 0 0.00013 0.00000 0.00000 0.00000 0.00000 132 7D+1 0.00000 0.00004 0.00000 0.00000 -0.00000 133 7D-1 -0.00000 0.00000 0.00019 -0.00000 0.00000 134 7D+2 0.00000 0.00000 -0.00000 0.00015 -0.00000 135 7D-2 0.00000 -0.00000 0.00000 -0.00000 0.00027 136 6 C 1S -0.00000 0.00000 -0.00002 -0.00001 0.00000 137 2S -0.00000 0.00000 -0.00002 -0.00001 0.00000 138 2PX 0.00000 0.00003 0.00000 0.00000 0.00005 139 2PY 0.00000 -0.00000 0.00039 0.00008 0.00000 140 2PZ 0.00004 0.00000 0.00005 0.00011 0.00000 141 3S 0.00000 -0.00000 0.00077 0.00033 -0.00000 142 3PX 0.00000 0.00018 0.00000 0.00000 0.00035 143 3PY 0.00004 -0.00000 0.00113 0.00018 -0.00000 144 3PZ 0.00021 -0.00000 0.00008 0.00038 0.00000 145 4S 0.00000 -0.00000 0.00009 0.00007 -0.00000 146 4PX 0.00000 0.00010 0.00000 0.00000 0.00020 147 4PY 0.00001 -0.00000 0.00004 -0.00003 -0.00000 148 4PZ 0.00008 -0.00000 -0.00003 0.00006 0.00000 149 5S 0.00000 -0.00000 -0.00001 0.00001 0.00000 150 5PX 0.00000 0.00000 -0.00000 -0.00000 0.00001 151 5PY -0.00000 0.00000 0.00000 0.00000 -0.00000 152 5PZ -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 153 6D 0 -0.00001 -0.00000 -0.00001 -0.00001 -0.00000 154 6D+1 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 155 6D-1 -0.00000 -0.00000 0.00004 0.00001 -0.00000 156 6D+2 -0.00000 -0.00000 0.00001 0.00002 -0.00000 157 6D-2 -0.00000 0.00001 -0.00000 0.00000 0.00000 158 7D 0 -0.00001 -0.00000 -0.00002 -0.00004 -0.00000 159 7D+1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00003 160 7D-1 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 161 7D+2 -0.00000 0.00000 -0.00001 0.00000 0.00000 162 7D-2 0.00000 0.00003 -0.00000 -0.00000 -0.00002 163 7 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 164 2S 0.00002 -0.00000 -0.00001 0.00002 0.00000 165 3S 0.00001 0.00000 -0.00001 0.00002 0.00000 166 4PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 167 4PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 168 4PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 169 8 Mg 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 170 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 171 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 172 4S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 173 5S 0.00003 0.00000 0.00000 -0.00000 -0.00000 174 6S -0.00000 0.00000 0.00000 0.00000 0.00000 175 7S -0.00000 0.00000 -0.00000 0.00000 0.00000 176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 7PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 179 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 8PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 182 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 9PZ 0.00001 -0.00000 0.00000 -0.00000 -0.00000 185 10PX 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 186 10PY -0.00000 -0.00000 -0.00001 0.00000 -0.00000 187 10PZ -0.00001 0.00000 0.00000 0.00000 0.00000 188 11PX -0.00000 -0.00002 -0.00000 -0.00000 -0.00000 189 11PY 0.00000 -0.00000 0.00001 0.00000 0.00000 190 11PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 191 12PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 192 12PY 0.00000 0.00000 0.00000 -0.00000 0.00000 193 12PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 194 13D 0 0.00001 0.00000 -0.00000 0.00000 -0.00000 195 13D+1 0.00000 -0.00002 -0.00000 -0.00000 -0.00000 196 13D-1 -0.00000 -0.00000 -0.00002 -0.00000 -0.00000 197 13D+2 0.00000 -0.00000 -0.00000 0.00000 0.00000 198 13D-2 -0.00000 -0.00000 -0.00000 0.00000 0.00000 199 14D 0 -0.00000 0.00000 0.00000 0.00000 -0.00000 200 14D+1 -0.00000 -0.00002 -0.00000 -0.00000 -0.00000 201 14D-1 0.00000 -0.00000 0.00001 0.00000 0.00000 202 14D+2 0.00000 -0.00000 0.00000 0.00000 -0.00000 203 14D-2 0.00000 -0.00000 0.00000 -0.00000 0.00000 204 9 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 205 2S 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 4S 0.00000 0.00000 0.00000 0.00000 0.00000 208 5S 0.00000 0.00000 0.00000 0.00000 0.00000 209 6S -0.00000 0.00000 -0.00000 0.00000 0.00000 210 7S 0.00000 0.00000 0.00000 -0.00000 -0.00000 211 8S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 212 9S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 213 9PX 0.00000 0.00000 -0.00000 0.00000 0.00000 214 9PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 215 9PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000 222 12PX -0.00000 0.00000 0.00000 -0.00000 0.00000 223 12PY -0.00000 0.00000 0.00000 0.00000 0.00000 224 12PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 225 13PX -0.00000 0.00000 0.00000 -0.00000 0.00000 226 13PY -0.00000 0.00000 0.00000 0.00000 0.00000 227 13PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 228 14PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 229 14PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 230 14PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 231 15PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 232 15PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 233 15PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 234 16PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 235 16PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 236 16PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 237 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00000 0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 -0.00000 -0.00000 0.00000 0.00000 243 18D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 -0.00000 0.00000 -0.00000 -0.00000 0.00000 245 18D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 246 18D-2 0.00000 0.00000 0.00000 -0.00000 -0.00000 247 19D 0 0.00000 0.00000 0.00000 -0.00000 -0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00000 0.00000 0.00000 0.00000 250 19D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 251 19D-2 -0.00000 0.00000 0.00000 0.00000 -0.00000 252 20D 0 0.00000 0.00000 0.00000 0.00000 -0.00000 253 20D+1 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 254 20D-1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 255 20D+2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 256 20D-2 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 257 10 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 258 2S 0.00002 -0.00000 -0.00001 0.00002 -0.00000 259 3S 0.00001 -0.00000 -0.00001 0.00002 -0.00000 260 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 261 4PY 0.00000 -0.00000 0.00000 0.00000 0.00000 262 4PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 263 11 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 264 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 265 3S -0.00000 -0.00000 0.00000 0.00000 0.00000 266 4PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 267 4PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 268 4PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 269 12 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 270 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 271 3S 0.00000 0.00000 0.00000 -0.00000 -0.00000 272 4PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 273 4PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 274 4PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 275 13 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 276 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 277 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 278 4PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 279 4PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 280 4PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 131 132 133 134 135 131 7D 0 0.00294 132 7D+1 0.00000 0.00016 133 7D-1 0.00000 0.00000 0.00063 134 7D+2 -0.00000 0.00000 -0.00000 0.00105 135 7D-2 0.00000 -0.00000 0.00000 0.00000 0.00202 136 6 C 1S -0.00001 0.00000 -0.00045 -0.00031 0.00000 137 2S -0.00002 0.00000 -0.00061 -0.00046 0.00000 138 2PX 0.00000 0.00012 0.00000 0.00000 0.00128 139 2PY 0.00015 0.00000 0.00048 -0.00007 0.00000 140 2PZ 0.00074 0.00000 -0.00001 0.00049 0.00000 141 3S 0.00008 -0.00000 0.00228 0.00211 -0.00000 142 3PX 0.00000 0.00048 0.00000 0.00000 0.00486 143 3PY 0.00053 0.00000 0.00094 0.00002 0.00000 144 3PZ 0.00242 0.00000 0.00042 0.00120 0.00000 145 4S 0.00004 -0.00000 0.00046 0.00056 -0.00000 146 4PX 0.00000 0.00029 0.00000 0.00000 0.00372 147 4PY 0.00001 -0.00000 0.00001 0.00003 -0.00000 148 4PZ 0.00177 -0.00000 0.00050 0.00049 0.00000 149 5S 0.00002 -0.00000 -0.00010 0.00016 0.00000 150 5PX -0.00000 0.00001 0.00000 -0.00000 0.00020 151 5PY 0.00017 0.00000 0.00006 0.00013 -0.00000 152 5PZ -0.00043 0.00000 0.00015 -0.00004 -0.00000 153 6D 0 -0.00006 -0.00000 -0.00003 -0.00004 -0.00000 154 6D+1 -0.00000 0.00000 0.00000 -0.00000 -0.00005 155 6D-1 -0.00004 -0.00000 -0.00000 -0.00001 -0.00000 156 6D+2 -0.00004 -0.00000 -0.00000 0.00000 -0.00000 157 6D-2 -0.00000 0.00001 -0.00000 0.00000 0.00000 158 7D 0 -0.00025 -0.00000 -0.00005 -0.00035 -0.00000 159 7D+1 -0.00000 0.00002 -0.00000 -0.00000 -0.00031 160 7D-1 -0.00050 -0.00000 -0.00001 0.00008 -0.00000 161 7D+2 -0.00029 -0.00000 0.00001 0.00001 -0.00000 162 7D-2 -0.00000 0.00003 -0.00000 -0.00000 -0.00009 163 7 H 1S 0.00022 -0.00000 -0.00004 0.00033 0.00000 164 2S 0.00082 -0.00000 -0.00015 0.00122 0.00000 165 3S 0.00051 -0.00000 -0.00008 0.00055 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00005 167 4PY 0.00005 -0.00000 -0.00001 0.00010 0.00000 168 4PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 169 8 Mg 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 170 2S -0.00003 -0.00000 -0.00000 0.00000 0.00000 171 3S 0.00023 0.00000 0.00000 -0.00000 -0.00000 172 4S 0.00012 0.00000 0.00000 0.00000 -0.00000 173 5S 0.00325 0.00000 0.00000 0.00000 -0.00000 174 6S -0.00005 0.00000 -0.00000 0.00000 0.00000 175 7S -0.00000 -0.00000 -0.00000 0.00000 0.00000 176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PY -0.00000 0.00000 0.00000 -0.00000 0.00000 178 7PZ 0.00001 -0.00000 -0.00000 -0.00000 0.00000 179 8PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 180 8PY -0.00000 0.00000 0.00000 -0.00000 0.00000 181 8PZ -0.00004 -0.00000 -0.00000 0.00000 0.00000 182 9PX -0.00000 -0.00001 0.00000 0.00000 -0.00000 183 9PY -0.00000 0.00000 0.00002 -0.00000 0.00000 184 9PZ -0.00035 -0.00000 -0.00000 -0.00000 0.00000 185 10PX 0.00000 0.00005 0.00000 -0.00000 0.00000 186 10PY 0.00000 0.00000 0.00009 0.00000 0.00000 187 10PZ 0.00207 0.00000 0.00000 -0.00000 -0.00000 188 11PX -0.00000 0.00006 0.00000 -0.00000 0.00000 189 11PY 0.00000 0.00000 0.00017 0.00000 0.00000 190 11PZ 0.00005 0.00000 0.00000 -0.00000 -0.00000 191 12PX -0.00000 -0.00002 0.00000 -0.00000 -0.00000 192 12PY 0.00000 0.00000 0.00003 0.00000 0.00000 193 12PZ -0.00020 0.00000 0.00000 -0.00000 -0.00000 194 13D 0 0.00025 0.00000 0.00000 0.00000 -0.00000 195 13D+1 0.00000 -0.00009 -0.00000 -0.00000 -0.00000 196 13D-1 0.00000 -0.00000 -0.00010 0.00000 -0.00000 197 13D+2 0.00000 -0.00000 -0.00000 0.00001 0.00000 198 13D-2 -0.00000 -0.00000 -0.00000 0.00000 0.00001 199 14D 0 -0.00010 0.00000 0.00000 0.00000 -0.00000 200 14D+1 -0.00000 -0.00009 -0.00000 -0.00000 -0.00000 201 14D-1 0.00000 -0.00000 -0.00002 0.00000 -0.00000 202 14D+2 0.00000 -0.00000 0.00000 0.00004 -0.00000 203 14D-2 0.00000 -0.00000 -0.00000 -0.00000 0.00006 204 9 Br 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 205 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 206 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 207 4S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 208 5S 0.00000 0.00000 0.00000 -0.00000 -0.00000 209 6S 0.00000 0.00000 0.00000 0.00000 -0.00000 210 7S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 211 8S -0.00004 -0.00000 -0.00000 -0.00000 0.00000 212 9S 0.00010 0.00000 0.00000 0.00000 -0.00000 213 9PX 0.00000 0.00001 0.00000 -0.00000 0.00000 214 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 215 9PZ 0.00005 0.00000 0.00000 0.00000 -0.00000 216 10PX -0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY -0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 219 11PX -0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY -0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 222 12PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 223 12PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 224 12PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 225 13PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 226 13PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 227 13PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 228 14PX -0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 0.00000 0.00000 0.00000 0.00000 230 14PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 231 15PX -0.00000 0.00000 0.00000 0.00000 0.00000 232 15PY -0.00000 0.00000 0.00000 0.00000 0.00000 233 15PZ -0.00001 -0.00000 -0.00000 0.00000 0.00000 234 16PX -0.00000 0.00002 0.00000 0.00000 0.00000 235 16PY -0.00000 0.00000 0.00002 0.00000 0.00000 236 16PZ -0.00024 -0.00000 -0.00000 0.00000 0.00000 237 17D 0 0.00000 0.00000 0.00000 -0.00000 -0.00000 238 17D+1 0.00000 -0.00000 0.00000 -0.00000 -0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00000 0.00000 240 17D+2 0.00000 -0.00000 0.00000 -0.00000 0.00000 241 17D-2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 242 18D 0 0.00000 0.00000 0.00000 0.00000 -0.00000 243 18D+1 0.00000 -0.00000 0.00000 -0.00000 -0.00000 244 18D-1 0.00000 0.00000 0.00000 0.00000 0.00000 245 18D+2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 246 18D-2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 247 19D 0 -0.00000 0.00000 0.00000 0.00000 -0.00000 248 19D+1 0.00000 -0.00000 0.00000 -0.00000 0.00000 249 19D-1 0.00000 0.00000 0.00000 0.00000 0.00000 250 19D+2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 251 19D-2 -0.00000 0.00000 0.00000 -0.00000 0.00000 252 20D 0 -0.00001 -0.00000 -0.00000 0.00000 0.00000 253 20D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 254 20D-1 -0.00000 0.00000 0.00000 -0.00000 0.00000 255 20D+2 -0.00000 0.00000 0.00000 -0.00000 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 257 10 H 1S 0.00022 -0.00000 -0.00004 0.00033 0.00000 258 2S 0.00082 -0.00000 -0.00015 0.00122 0.00000 259 3S 0.00051 -0.00000 -0.00008 0.00055 0.00000 260 4PX -0.00000 0.00000 0.00000 0.00000 0.00005 261 4PY 0.00005 -0.00000 -0.00001 0.00010 -0.00000 262 4PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 263 11 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 264 2S -0.00001 -0.00000 -0.00001 -0.00000 0.00000 265 3S -0.00005 -0.00000 -0.00002 0.00001 0.00000 266 4PX 0.00000 0.00000 -0.00000 0.00000 0.00000 267 4PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 268 4PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 269 12 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 270 2S 0.00001 0.00000 0.00000 -0.00000 -0.00000 271 3S 0.00008 0.00000 0.00000 -0.00000 -0.00000 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 274 4PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 275 13 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 276 2S -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 277 3S -0.00005 -0.00000 -0.00002 0.00001 0.00000 278 4PX 0.00000 0.00000 -0.00000 0.00000 0.00000 279 4PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 280 4PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 136 137 138 139 140 136 6 C 1S 0.65861 137 2S 0.49224 0.48981 138 2PX 0.00000 0.00000 0.06688 139 2PY 0.00000 0.00000 0.00000 0.09022 140 2PZ 0.00000 0.00000 0.00000 -0.00000 0.09123 141 3S -0.02626 -0.05973 0.00000 0.00000 0.00000 142 3PX 0.00000 0.00000 0.06451 0.00000 0.00000 143 3PY 0.00000 0.00000 0.00000 0.07840 -0.00000 144 3PZ 0.00000 0.00000 0.00000 -0.00000 0.08015 145 4S -0.00935 -0.01596 0.00000 0.00000 0.00000 146 4PX 0.00000 0.00000 0.01870 0.00000 0.00000 147 4PY 0.00000 0.00000 0.00000 0.01366 -0.00000 148 4PZ 0.00000 0.00000 0.00000 0.00000 0.01538 149 5S 0.00143 0.00145 0.00000 0.00000 0.00000 150 5PX 0.00000 0.00000 0.00128 0.00000 0.00000 151 5PY 0.00000 0.00000 -0.00000 -0.00024 -0.00000 152 5PZ 0.00000 0.00000 0.00000 0.00000 0.00064 153 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 156 6D+2 -0.00000 -0.00000 0.00000 0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 -0.00000 0.00000 0.00000 0.00000 0.00000 161 7D+2 -0.00000 -0.00000 0.00000 0.00000 0.00000 162 7D-2 -0.00000 -0.00000 0.00000 0.00000 0.00000 163 7 H 1S -0.00024 -0.00034 0.00000 0.00632 0.00185 164 2S -0.00236 -0.00410 0.00000 0.01567 0.00460 165 3S 0.00007 0.00010 0.00000 0.00241 0.00087 166 4PX -0.00000 -0.00000 0.00055 0.00000 -0.00000 167 4PY -0.00044 -0.00071 0.00000 0.00140 0.00094 168 4PZ -0.00012 -0.00019 -0.00000 0.00089 0.00001 169 8 Mg 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 170 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 171 3S -0.00000 0.00000 0.00000 0.00000 0.00000 172 4S -0.00000 0.00000 0.00000 0.00000 0.00000 173 5S 0.00005 0.00009 -0.00000 -0.00010 -0.00029 174 6S 0.00023 0.00029 0.00000 -0.00008 0.00013 175 7S 0.00002 0.00002 0.00000 0.00000 0.00000 176 7PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 177 7PY 0.00001 0.00001 -0.00000 0.00000 -0.00000 178 7PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 179 8PX -0.00000 0.00000 -0.00000 0.00000 0.00000 180 8PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 181 8PZ -0.00000 0.00000 0.00000 0.00000 0.00000 182 9PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 183 9PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 184 9PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 185 10PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 186 10PY -0.00000 -0.00000 0.00000 0.00000 0.00000 187 10PZ 0.00000 0.00000 -0.00000 -0.00001 -0.00002 188 11PX 0.00000 0.00000 0.00006 -0.00000 -0.00000 189 11PY 0.00001 0.00001 0.00000 0.00000 0.00005 190 11PZ 0.00010 0.00013 -0.00000 -0.00016 -0.00018 191 12PX -0.00000 -0.00000 0.00008 0.00000 -0.00000 192 12PY 0.00004 0.00005 0.00000 0.00003 0.00003 193 12PZ -0.00047 -0.00064 0.00000 0.00011 0.00012 194 13D 0 0.00000 0.00000 -0.00000 -0.00000 -0.00000 195 13D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 196 13D-1 -0.00000 -0.00000 0.00000 0.00000 0.00000 197 13D+2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 198 13D-2 -0.00000 -0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00009 0.00015 0.00000 -0.00015 -0.00010 200 14D+1 0.00000 0.00000 0.00017 0.00000 -0.00000 201 14D-1 0.00001 0.00002 0.00000 0.00001 0.00006 202 14D+2 -0.00000 -0.00000 0.00000 0.00000 0.00001 203 14D-2 0.00000 0.00000 0.00002 -0.00000 -0.00000 204 9 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 205 2S 0.00000 0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 4S 0.00000 0.00000 0.00000 0.00000 0.00000 208 5S 0.00000 0.00000 0.00000 0.00000 0.00000 209 6S 0.00000 0.00000 0.00000 0.00000 0.00000 210 7S -0.00000 0.00000 0.00000 0.00000 0.00000 211 8S -0.00000 -0.00000 0.00000 0.00000 0.00000 212 9S -0.00003 -0.00004 -0.00000 0.00001 0.00001 213 9PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 214 9PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 215 9PZ -0.00003 -0.00004 0.00000 0.00001 0.00001 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00000 0.00000 0.00000 0.00000 224 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 0.00000 0.00000 0.00000 0.00000 227 13PZ 0.00000 0.00000 0.00000 0.00000 0.00000 228 14PX -0.00000 0.00000 -0.00000 0.00000 0.00000 229 14PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 230 14PZ -0.00000 0.00000 0.00000 0.00000 0.00000 231 15PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 232 15PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 233 15PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 234 16PX -0.00000 -0.00000 0.00000 0.00000 0.00000 235 16PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 236 16PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 237 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00000 0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 0.00000 0.00000 0.00000 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00000 0.00000 0.00000 0.00000 245 18D+2 0.00000 0.00000 0.00000 0.00000 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 248 19D+1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 249 19D-1 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 250 19D+2 -0.00000 0.00000 -0.00000 -0.00000 0.00000 251 19D-2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 252 20D 0 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 253 20D+1 0.00000 -0.00000 0.00000 0.00000 -0.00000 254 20D-1 -0.00000 -0.00000 0.00000 -0.00000 0.00000 255 20D+2 0.00000 0.00000 0.00000 -0.00000 -0.00000 256 20D-2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 257 10 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 258 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 259 3S -0.00001 -0.00002 -0.00000 0.00012 0.00001 260 4PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 261 4PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 262 4PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 263 11 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 264 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 265 3S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 266 4PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 267 4PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 268 4PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 269 12 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 270 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 271 3S -0.00001 -0.00001 0.00000 0.00000 0.00010 272 4PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 273 4PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 274 4PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 275 13 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 276 2S 0.00001 0.00002 -0.00000 -0.00005 -0.00023 277 3S 0.00015 0.00021 -0.00000 -0.00022 -0.00080 278 4PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 279 4PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 280 4PZ -0.00000 -0.00000 -0.00000 0.00000 0.00001 141 142 143 144 145 141 3S 0.43815 142 3PX 0.00000 0.15722 143 3PY 0.00000 0.00000 0.17247 144 3PZ 0.00000 0.00000 -0.00000 0.17810 145 4S 0.15370 0.00000 0.00000 0.00000 0.10532 146 4PX 0.00000 0.08499 0.00000 0.00000 0.00000 147 4PY 0.00000 0.00000 0.05600 -0.00000 0.00000 148 4PZ 0.00000 0.00000 0.00000 0.06356 0.00000 149 5S -0.00254 0.00000 0.00000 0.00000 0.03452 150 5PX 0.00000 0.00771 0.00000 0.00000 0.00000 151 5PY 0.00000 -0.00000 -0.00133 -0.00000 0.00000 152 5PZ 0.00000 0.00000 0.00000 0.00359 0.00000 153 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 154 6D+1 -0.00000 0.00000 0.00000 0.00000 -0.00000 155 6D-1 -0.00000 0.00000 0.00000 0.00000 -0.00000 156 6D+2 -0.00000 0.00000 0.00000 0.00000 -0.00000 157 6D-2 -0.00000 0.00000 0.00000 0.00000 -0.00000 158 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 159 7D+1 -0.00000 0.00000 0.00000 0.00000 -0.00000 160 7D-1 -0.00000 0.00000 0.00000 0.00000 -0.00000 161 7D+2 0.00000 0.00000 0.00000 0.00000 -0.00000 162 7D-2 -0.00000 0.00000 0.00000 0.00000 -0.00000 163 7 H 1S 0.01538 0.00000 0.03042 0.00876 0.01298 164 2S 0.04609 0.00000 0.05859 0.01692 0.03914 165 3S -0.00163 0.00000 0.01136 0.00406 0.00589 166 4PX 0.00000 0.00243 0.00000 0.00000 0.00000 167 4PY 0.00544 0.00000 0.00212 0.00211 0.00164 168 4PZ 0.00144 0.00000 0.00203 0.00024 0.00043 169 8 Mg 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 170 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 171 3S 0.00000 0.00000 0.00000 0.00000 0.00008 172 4S 0.00000 0.00000 0.00000 0.00000 0.00022 173 5S -0.00187 -0.00000 -0.00074 -0.00203 -0.00081 174 6S -0.00206 0.00000 -0.00046 0.00069 0.00548 175 7S -0.00019 0.00000 0.00000 0.00001 -0.00061 176 7PX 0.00000 -0.00003 0.00000 -0.00000 -0.00000 177 7PY -0.00010 -0.00000 0.00000 -0.00001 -0.00018 178 7PZ 0.00016 -0.00000 0.00001 -0.00000 -0.00028 179 8PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 180 8PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 181 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 182 9PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 183 9PY -0.00000 -0.00000 -0.00000 -0.00000 0.00002 184 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00010 185 10PX -0.00000 0.00004 -0.00000 -0.00000 -0.00000 186 10PY 0.00002 0.00000 0.00001 0.00006 -0.00009 187 10PZ -0.00023 -0.00000 -0.00017 -0.00026 -0.00137 188 11PX -0.00000 0.00046 -0.00000 -0.00000 -0.00000 189 11PY -0.00008 0.00000 0.00003 0.00030 -0.00043 190 11PZ -0.00139 -0.00000 -0.00094 -0.00102 -0.00064 191 12PX 0.00000 0.00053 0.00000 -0.00000 0.00000 192 12PY -0.00057 0.00000 0.00018 0.00018 -0.00000 193 12PZ 0.00494 0.00000 0.00065 0.00060 0.01390 194 13D 0 -0.00004 -0.00000 -0.00002 -0.00001 0.00004 195 13D+1 -0.00000 0.00003 0.00000 -0.00000 -0.00000 196 13D-1 0.00002 0.00000 0.00001 0.00005 0.00014 197 13D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 198 13D-2 -0.00000 0.00000 0.00000 0.00000 -0.00000 199 14D 0 -0.00182 0.00000 -0.00082 -0.00048 0.00009 200 14D+1 -0.00000 0.00110 0.00000 -0.00000 -0.00000 201 14D-1 -0.00028 0.00000 0.00009 0.00026 0.00133 202 14D+2 0.00003 0.00000 0.00002 0.00005 0.00002 203 14D-2 -0.00000 0.00010 -0.00000 -0.00000 0.00000 204 9 Br 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 205 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 4S 0.00000 0.00000 0.00000 0.00000 0.00000 208 5S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 209 6S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 210 7S 0.00000 0.00000 0.00000 0.00000 0.00000 211 8S 0.00000 0.00000 0.00000 0.00000 0.00001 212 9S 0.00037 -0.00000 0.00005 0.00008 0.00095 213 9PX 0.00000 -0.00002 0.00000 0.00000 0.00000 214 9PY 0.00002 -0.00000 -0.00000 -0.00001 -0.00005 215 9PZ 0.00037 0.00000 0.00006 0.00008 0.00090 216 10PX 0.00000 -0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 218 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 219 11PX 0.00000 -0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 221 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000 222 12PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 223 12PY -0.00000 0.00000 -0.00000 0.00000 0.00000 224 12PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 225 13PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 226 13PY -0.00000 0.00000 -0.00000 0.00000 0.00000 227 13PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 228 14PX 0.00000 -0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 230 14PZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 15PX 0.00000 -0.00000 0.00000 0.00000 0.00000 232 15PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 233 15PZ 0.00000 0.00000 0.00000 0.00000 0.00000 234 16PX 0.00000 0.00000 0.00000 0.00000 0.00000 235 16PY -0.00000 0.00000 0.00000 -0.00000 -0.00005 236 16PZ 0.00001 0.00000 0.00000 0.00001 0.00015 237 17D 0 0.00000 0.00000 0.00000 -0.00000 -0.00000 238 17D+1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 239 17D-1 -0.00000 -0.00000 0.00000 -0.00000 0.00000 240 17D+2 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 241 17D-2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 242 18D 0 0.00000 -0.00000 0.00000 0.00000 -0.00000 243 18D+1 0.00000 0.00000 -0.00000 -0.00000 -0.00000 244 18D-1 -0.00000 -0.00000 0.00000 -0.00000 0.00000 245 18D+2 -0.00000 0.00000 -0.00000 0.00000 -0.00000 246 18D-2 -0.00000 -0.00000 0.00000 0.00000 -0.00000 247 19D 0 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 248 19D+1 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 249 19D-1 -0.00000 -0.00000 0.00000 -0.00000 0.00000 250 19D+2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 251 19D-2 -0.00000 0.00000 0.00000 -0.00000 -0.00000 252 20D 0 0.00000 -0.00000 -0.00000 -0.00000 0.00000 253 20D+1 0.00000 0.00000 0.00000 -0.00000 0.00000 254 20D-1 0.00000 0.00000 -0.00000 0.00000 -0.00000 255 20D+2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 256 20D-2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 257 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 258 2S 0.00001 -0.00000 0.00002 0.00000 0.00004 259 3S 0.00057 -0.00000 0.00088 0.00009 0.00085 260 4PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 261 4PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 262 4PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 263 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 -0.00000 0.00005 265 3S -0.00001 -0.00000 -0.00003 -0.00001 0.00019 266 4PX -0.00000 -0.00000 0.00000 0.00000 0.00000 267 4PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 268 4PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 269 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 270 2S 0.00000 0.00000 -0.00000 0.00002 0.00005 271 3S 0.00027 0.00000 0.00002 0.00071 0.00025 272 4PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 273 4PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 274 4PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 275 13 H 1S -0.00006 -0.00000 -0.00003 -0.00017 -0.00038 276 2S -0.00139 -0.00000 -0.00050 -0.00242 -0.00215 277 3S -0.00216 -0.00000 -0.00121 -0.00461 -0.00217 278 4PX 0.00000 0.00004 0.00000 -0.00000 0.00000 279 4PY -0.00003 0.00000 -0.00000 -0.00005 -0.00005 280 4PZ 0.00002 -0.00000 0.00001 0.00018 0.00004 146 147 148 149 150 146 4PX 0.10856 147 4PY 0.00000 0.04545 148 4PZ 0.00000 -0.00000 0.05985 149 5S 0.00000 0.00000 0.00000 0.70615 150 5PX 0.01880 0.00000 0.00000 0.00000 0.00848 151 5PY 0.00000 -0.00395 -0.00000 0.00000 -0.00000 152 5PZ 0.00000 0.00000 -0.00143 0.00000 0.00000 153 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 154 6D+1 0.00000 0.00000 0.00000 -0.00000 0.00000 155 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 156 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 161 7D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S 0.00000 0.01498 0.00674 0.01595 0.00000 164 2S 0.00000 0.03815 0.01659 0.06280 0.00000 165 3S 0.00000 0.01064 0.00666 0.05216 -0.00000 166 4PX 0.00208 -0.00000 0.00000 0.00000 0.00023 167 4PY -0.00000 -0.00025 0.00064 0.00048 0.00000 168 4PZ 0.00000 0.00047 0.00005 0.00007 0.00000 169 8 Mg 1S -0.00000 -0.00000 -0.00000 -0.00003 0.00000 170 2S -0.00000 -0.00000 -0.00000 -0.00022 0.00000 171 3S 0.00000 0.00001 0.00005 0.00195 -0.00000 172 4S 0.00000 0.00006 0.00039 0.00410 -0.00000 173 5S -0.00000 -0.00243 -0.01287 -0.00703 0.00000 174 6S -0.00000 -0.00060 -0.00290 0.03026 0.00000 175 7S 0.00000 0.00001 0.00013 -0.00102 -0.00000 176 7PX -0.00011 0.00000 -0.00000 0.00000 -0.00012 177 7PY -0.00000 0.00001 -0.00001 -0.00049 0.00000 178 7PZ -0.00000 0.00002 -0.00007 -0.00038 0.00000 179 8PX -0.00000 -0.00000 0.00000 0.00000 -0.00001 180 8PY 0.00000 0.00000 0.00001 -0.00037 -0.00000 181 8PZ 0.00000 -0.00001 0.00004 -0.00027 -0.00000 182 9PX -0.00003 -0.00000 0.00000 0.00000 -0.00015 183 9PY 0.00000 0.00001 0.00011 -0.00404 -0.00000 184 9PZ 0.00000 -0.00006 0.00044 -0.00299 -0.00000 185 10PX 0.00034 -0.00000 -0.00000 0.00000 0.00028 186 10PY 0.00000 -0.00001 0.00035 -0.00329 0.00000 187 10PZ -0.00000 -0.00094 -0.00145 -0.00404 -0.00000 188 11PX 0.00159 0.00000 -0.00000 0.00000 0.00130 189 11PY 0.00000 0.00017 0.00057 0.00084 0.00000 190 11PZ -0.00000 -0.00173 -0.00313 0.00296 -0.00000 191 12PX 0.00149 0.00000 0.00000 0.00000 0.00099 192 12PY 0.00000 0.00028 0.00023 0.00418 -0.00000 193 12PZ 0.00000 0.00085 -0.00112 0.01488 -0.00000 194 13D 0 0.00000 -0.00009 -0.00035 0.00006 -0.00000 195 13D+1 0.00026 0.00000 -0.00000 -0.00000 0.00013 196 13D-1 0.00000 0.00000 0.00010 0.00034 -0.00000 197 13D+2 0.00000 0.00000 0.00001 0.00001 0.00000 198 13D-2 0.00001 -0.00000 0.00000 -0.00000 0.00000 199 14D 0 0.00000 -0.00115 -0.00109 0.00022 -0.00000 200 14D+1 0.00268 0.00000 -0.00000 -0.00000 0.00114 201 14D-1 0.00000 0.00014 -0.00001 0.00479 -0.00000 202 14D+2 0.00000 0.00001 0.00009 0.00004 0.00000 203 14D-2 0.00025 0.00000 0.00000 -0.00000 0.00006 204 9 Br 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 205 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 206 3S -0.00000 -0.00000 -0.00000 0.00000 0.00000 207 4S -0.00000 -0.00000 -0.00000 0.00001 0.00000 208 5S 0.00000 0.00000 0.00000 -0.00003 -0.00000 209 6S 0.00000 0.00000 0.00000 -0.00009 -0.00000 210 7S -0.00000 0.00000 -0.00000 0.00072 -0.00000 211 8S 0.00000 0.00000 0.00002 0.00122 -0.00000 212 9S -0.00000 0.00010 -0.00022 0.00106 0.00000 213 9PX -0.00007 0.00000 0.00000 0.00000 -0.00010 214 9PY -0.00000 -0.00000 0.00001 -0.00096 0.00000 215 9PZ -0.00000 0.00010 -0.00022 0.00036 0.00000 216 10PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 217 10PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 218 10PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 219 11PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 220 11PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 221 11PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 222 12PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 223 12PY -0.00000 0.00000 -0.00000 0.00001 -0.00000 224 12PZ 0.00000 -0.00000 0.00000 -0.00001 -0.00000 225 13PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 226 13PY -0.00000 0.00000 -0.00000 0.00002 -0.00000 227 13PZ 0.00000 -0.00000 0.00000 -0.00001 -0.00000 228 14PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 229 14PY 0.00000 -0.00000 0.00000 -0.00010 0.00000 230 14PZ -0.00000 0.00000 -0.00000 0.00004 0.00000 231 15PX -0.00000 0.00000 -0.00000 0.00000 -0.00003 232 15PY 0.00000 -0.00000 0.00000 -0.00090 0.00000 233 15PZ -0.00000 0.00000 -0.00000 0.00036 0.00000 234 16PX -0.00000 0.00000 -0.00000 0.00000 -0.00007 235 16PY 0.00000 0.00000 0.00003 -0.00271 0.00000 236 16PZ -0.00000 0.00004 0.00001 0.00120 0.00000 237 17D 0 0.00000 -0.00000 0.00000 0.00000 -0.00000 238 17D+1 0.00000 -0.00000 0.00000 -0.00000 -0.00000 239 17D-1 -0.00000 0.00000 -0.00000 0.00000 -0.00000 240 17D+2 0.00000 -0.00000 0.00000 0.00000 0.00000 241 17D-2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 242 18D 0 0.00000 -0.00000 0.00000 0.00000 -0.00000 243 18D+1 0.00000 -0.00000 0.00000 -0.00000 -0.00000 244 18D-1 -0.00000 0.00000 -0.00000 0.00001 -0.00000 245 18D+2 0.00000 -0.00000 0.00000 0.00000 0.00000 246 18D-2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 247 19D 0 -0.00000 -0.00000 -0.00000 0.00000 0.00000 248 19D+1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 249 19D-1 -0.00000 0.00000 -0.00000 0.00000 -0.00000 250 19D+2 0.00000 -0.00000 0.00000 0.00000 0.00000 251 19D-2 0.00000 -0.00000 0.00000 -0.00000 0.00000 252 20D 0 -0.00000 -0.00000 -0.00000 0.00004 0.00000 253 20D+1 0.00000 0.00000 -0.00000 0.00000 0.00000 254 20D-1 0.00000 0.00000 0.00000 -0.00010 0.00000 255 20D+2 0.00000 -0.00000 0.00000 0.00000 0.00000 256 20D-2 -0.00000 0.00000 -0.00000 0.00000 0.00000 257 10 H 1S -0.00000 0.00009 0.00001 0.00079 0.00000 258 2S -0.00000 0.00072 0.00009 0.00294 0.00000 259 3S -0.00000 0.00283 0.00036 -0.00092 0.00000 260 4PX -0.00000 0.00000 -0.00000 0.00000 0.00000 261 4PY 0.00000 0.00001 0.00000 0.00020 0.00000 262 4PZ -0.00000 0.00000 -0.00000 0.00001 0.00000 263 11 H 1S 0.00000 0.00001 0.00000 -0.00050 -0.00000 264 2S 0.00000 0.00005 0.00001 -0.00183 -0.00000 265 3S -0.00000 0.00005 -0.00008 0.00283 0.00000 266 4PX -0.00000 0.00000 0.00000 -0.00000 -0.00002 267 4PY 0.00000 0.00000 -0.00000 -0.00013 -0.00000 268 4PZ 0.00000 -0.00000 0.00000 -0.00001 -0.00000 269 12 H 1S 0.00000 -0.00001 0.00009 0.00231 0.00000 270 2S 0.00000 -0.00008 0.00080 0.00997 0.00000 271 3S 0.00000 -0.00009 0.00242 0.00507 0.00000 272 4PX -0.00000 0.00000 0.00000 0.00000 -0.00002 273 4PY 0.00000 -0.00000 -0.00000 0.00004 0.00000 274 4PZ 0.00000 -0.00001 0.00002 0.00031 0.00000 275 13 H 1S -0.00000 -0.00069 -0.00135 -0.00594 -0.00000 276 2S -0.00000 -0.00283 -0.00569 -0.02335 0.00000 277 3S -0.00000 -0.00266 -0.00744 -0.01214 0.00000 278 4PX 0.00028 0.00000 -0.00000 -0.00000 0.00005 279 4PY 0.00000 0.00001 -0.00010 -0.00017 -0.00000 280 4PZ -0.00000 -0.00002 0.00027 -0.00045 0.00000 151 152 153 154 155 151 5PY 0.05681 152 5PZ -0.00000 0.12659 153 6D 0 0.00000 0.00000 0.00068 154 6D+1 0.00000 0.00000 0.00000 0.00019 155 6D-1 0.00000 0.00000 -0.00000 0.00000 0.00064 156 6D+2 0.00000 0.00000 0.00000 0.00000 -0.00000 157 6D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 158 7D 0 0.00000 0.00000 0.00037 0.00000 -0.00000 159 7D+1 0.00000 0.00000 0.00000 0.00024 0.00000 160 7D-1 0.00000 0.00000 -0.00000 0.00000 0.00039 161 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 162 7D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 163 7 H 1S -0.00038 0.00031 0.00007 -0.00000 0.00066 164 2S -0.00233 0.00148 0.00007 -0.00000 0.00062 165 3S -0.00062 -0.00114 0.00001 -0.00000 0.00005 166 4PX 0.00000 0.00000 0.00000 -0.00001 -0.00000 167 4PY 0.00005 0.00003 -0.00001 -0.00000 0.00007 168 4PZ 0.00001 0.00001 -0.00003 0.00000 -0.00001 169 8 Mg 1S -0.00001 -0.00001 0.00000 0.00000 0.00000 170 2S -0.00006 -0.00008 0.00000 0.00000 0.00000 171 3S 0.00042 0.00041 -0.00000 -0.00000 -0.00000 172 4S -0.00001 -0.00184 -0.00000 -0.00000 -0.00000 173 5S 0.02011 0.06430 0.00004 0.00000 0.00001 174 6S 0.01476 0.03671 -0.00000 0.00000 -0.00000 175 7S -0.00048 -0.00137 -0.00000 -0.00000 -0.00000 176 7PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 177 7PY -0.00026 0.00014 -0.00000 0.00000 0.00000 178 7PZ -0.00056 0.00103 0.00000 -0.00000 0.00000 179 8PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 180 8PY 0.00013 -0.00033 0.00000 0.00000 -0.00000 181 8PZ -0.00004 0.00005 -0.00000 -0.00000 -0.00000 182 9PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 183 9PY 0.00146 -0.00346 0.00000 0.00000 -0.00000 184 9PZ -0.00040 0.00053 -0.00000 -0.00000 -0.00000 185 10PX 0.00000 -0.00000 0.00000 0.00000 0.00000 186 10PY 0.00048 -0.00021 -0.00000 -0.00000 0.00000 187 10PZ 0.00013 0.00138 0.00001 0.00000 0.00000 188 11PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 189 11PY -0.00196 0.00373 -0.00000 0.00000 0.00000 190 11PZ 0.00328 0.00366 0.00001 0.00000 -0.00000 191 12PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 192 12PY -0.00032 -0.00050 -0.00000 -0.00000 0.00000 193 12PZ 0.01213 0.00291 -0.00000 -0.00000 0.00000 194 13D 0 0.00045 -0.00000 0.00000 0.00000 0.00000 195 13D+1 0.00000 0.00000 -0.00000 0.00000 -0.00000 196 13D-1 0.00007 -0.00015 -0.00000 -0.00000 0.00000 197 13D+2 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 198 13D-2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 199 14D 0 0.00327 -0.00198 0.00000 0.00000 0.00000 200 14D+1 0.00000 0.00000 -0.00000 0.00000 -0.00000 201 14D-1 0.00073 -0.00100 -0.00000 0.00000 0.00000 202 14D+2 0.00012 -0.00008 -0.00000 0.00000 0.00000 203 14D-2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 204 9 Br 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 205 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 206 3S 0.00000 0.00001 0.00000 0.00000 0.00000 207 4S 0.00000 0.00001 0.00000 0.00000 0.00000 208 5S -0.00001 -0.00006 0.00000 0.00000 0.00000 209 6S -0.00003 -0.00012 0.00000 0.00000 0.00000 210 7S 0.00017 0.00005 -0.00000 -0.00000 0.00000 211 8S -0.00008 -0.00171 -0.00000 -0.00000 -0.00000 212 9S 0.00144 0.00774 0.00000 -0.00000 0.00000 213 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 214 9PY -0.00022 0.00078 0.00000 0.00000 -0.00000 215 9PZ 0.00107 0.00432 0.00000 -0.00000 0.00000 216 10PX 0.00000 -0.00000 0.00000 0.00000 0.00000 217 10PY -0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 219 11PX 0.00000 -0.00000 0.00000 0.00000 0.00000 220 11PY -0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000 222 12PX -0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 -0.00003 0.00000 0.00000 0.00000 224 12PZ -0.00001 -0.00006 0.00000 0.00000 0.00000 225 13PX -0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 -0.00004 0.00000 0.00000 0.00000 227 13PZ -0.00002 -0.00008 0.00000 0.00000 0.00000 228 14PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 229 14PY -0.00002 0.00020 0.00000 0.00000 0.00000 230 14PZ 0.00009 0.00040 -0.00000 -0.00000 -0.00000 231 15PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 232 15PY -0.00021 0.00166 0.00000 0.00000 0.00000 233 15PZ 0.00070 0.00308 -0.00000 -0.00000 -0.00000 234 16PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 235 16PY -0.00072 0.00410 0.00000 0.00000 0.00000 236 16PZ 0.00121 0.00495 -0.00000 -0.00000 -0.00000 237 17D 0 -0.00000 -0.00000 0.00000 0.00000 0.00000 238 17D+1 -0.00000 -0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 -0.00000 0.00000 0.00000 0.00000 240 17D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 -0.00000 -0.00001 0.00000 0.00000 0.00000 243 18D+1 -0.00000 -0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 -0.00001 0.00000 0.00000 0.00000 245 18D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00001 0.00000 0.00000 0.00000 248 19D+1 -0.00000 0.00000 0.00000 -0.00000 0.00000 249 19D-1 0.00000 -0.00000 0.00000 0.00000 -0.00000 250 19D+2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 251 19D-2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 252 20D 0 0.00006 0.00018 -0.00000 -0.00000 -0.00000 253 20D+1 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 254 20D-1 -0.00003 0.00016 0.00000 0.00000 0.00000 255 20D+2 -0.00000 0.00000 0.00000 0.00000 -0.00000 256 20D-2 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 257 10 H 1S -0.00037 -0.00040 -0.00000 0.00000 0.00000 258 2S -0.00090 -0.00143 -0.00000 0.00000 0.00000 259 3S -0.00483 -0.00143 0.00000 -0.00000 0.00000 260 4PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 261 4PY 0.00001 -0.00005 0.00000 0.00000 -0.00000 262 4PZ 0.00001 0.00001 -0.00000 -0.00000 -0.00000 263 11 H 1S -0.00037 -0.00019 0.00000 -0.00000 0.00000 264 2S -0.00176 -0.00052 0.00000 -0.00000 0.00000 265 3S -0.00141 0.00097 0.00000 -0.00000 0.00000 266 4PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 267 4PY -0.00005 -0.00002 0.00000 -0.00000 0.00000 268 4PZ 0.00001 -0.00000 -0.00000 0.00000 0.00000 269 12 H 1S 0.00022 0.00111 0.00000 -0.00000 -0.00000 270 2S 0.00107 0.00369 0.00000 0.00000 -0.00000 271 3S 0.00018 0.00251 0.00000 0.00000 -0.00000 272 4PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 273 4PY -0.00001 -0.00003 -0.00000 -0.00000 0.00000 274 4PZ 0.00005 0.00006 -0.00000 -0.00000 -0.00000 275 13 H 1S 0.00080 0.00080 -0.00000 -0.00000 0.00000 276 2S 0.00322 0.00402 -0.00002 -0.00000 0.00007 277 3S 0.00220 0.00483 -0.00003 -0.00000 0.00004 278 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 4PY -0.00005 0.00000 -0.00000 0.00000 0.00000 280 4PZ 0.00006 0.00000 0.00000 -0.00000 0.00000 156 157 158 159 160 156 6D+2 0.00032 157 6D-2 0.00000 0.00010 158 7D 0 -0.00000 0.00000 0.00281 159 7D+1 0.00000 -0.00000 0.00000 0.00162 160 7D-1 0.00000 0.00000 -0.00000 0.00000 0.00357 161 7D+2 0.00012 0.00000 0.00000 0.00000 0.00000 162 7D-2 -0.00000 0.00012 0.00000 -0.00000 0.00000 163 7 H 1S 0.00041 0.00000 0.00018 -0.00000 0.00092 164 2S 0.00036 0.00000 0.00018 -0.00000 0.00095 165 3S 0.00002 0.00000 0.00010 -0.00000 0.00050 166 4PX 0.00000 -0.00003 -0.00000 -0.00002 -0.00000 167 4PY 0.00005 0.00000 -0.00001 0.00000 -0.00001 168 4PZ 0.00001 0.00000 -0.00005 -0.00000 -0.00000 169 8 Mg 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 170 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 171 3S 0.00000 -0.00000 0.00000 -0.00000 0.00000 172 4S 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 173 5S -0.00000 -0.00000 0.00172 0.00000 0.00116 174 6S -0.00000 0.00000 0.00018 0.00000 0.00012 175 7S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 176 7PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 177 7PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 178 7PZ 0.00000 0.00000 0.00001 -0.00000 0.00000 179 8PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 180 8PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 181 8PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 182 9PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 183 9PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 184 9PZ 0.00000 -0.00000 -0.00003 -0.00000 -0.00002 185 10PX -0.00000 0.00000 0.00000 0.00003 0.00000 186 10PY 0.00000 -0.00000 -0.00002 0.00000 0.00000 187 10PZ -0.00000 -0.00000 0.00056 0.00000 0.00055 188 11PX -0.00000 0.00000 -0.00000 0.00014 0.00000 189 11PY -0.00000 0.00000 -0.00004 0.00000 0.00001 190 11PZ -0.00000 0.00000 0.00032 0.00000 0.00032 191 12PX 0.00000 0.00000 -0.00000 0.00002 0.00000 192 12PY -0.00000 0.00000 0.00000 0.00000 0.00001 193 12PZ 0.00000 -0.00000 -0.00008 0.00000 0.00012 194 13D 0 -0.00000 -0.00000 0.00010 0.00000 0.00012 195 13D+1 -0.00000 0.00000 0.00000 0.00002 0.00000 196 13D-1 0.00000 -0.00000 0.00002 0.00000 0.00001 197 13D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 198 13D-2 -0.00000 0.00000 0.00000 -0.00000 0.00000 199 14D 0 -0.00000 -0.00000 -0.00005 0.00000 0.00031 200 14D+1 -0.00000 0.00000 -0.00000 0.00016 0.00000 201 14D-1 -0.00000 0.00000 0.00006 0.00000 -0.00000 202 14D+2 0.00000 -0.00000 -0.00002 0.00000 0.00002 203 14D-2 -0.00000 -0.00000 0.00000 -0.00001 0.00000 204 9 Br 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 205 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 206 3S 0.00000 0.00000 -0.00000 0.00000 -0.00000 207 4S 0.00000 0.00000 -0.00000 0.00000 -0.00000 208 5S 0.00000 0.00000 0.00000 -0.00000 0.00000 209 6S 0.00000 0.00000 0.00000 -0.00000 0.00000 210 7S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 211 8S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 212 9S 0.00000 -0.00000 0.00004 -0.00000 0.00002 213 9PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 214 9PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 215 9PZ 0.00000 -0.00000 0.00003 0.00000 0.00002 216 10PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 217 10PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 218 10PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 219 11PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 220 11PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 221 11PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00000 0.00000 0.00000 0.00000 224 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 13PX 0.00000 0.00000 -0.00000 0.00000 0.00000 226 13PY 0.00000 0.00000 0.00000 0.00000 0.00000 227 13PZ 0.00000 0.00000 0.00000 0.00000 0.00000 228 14PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 229 14PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 230 14PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 231 15PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 232 15PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 233 15PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 234 16PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 235 16PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 236 16PZ 0.00000 0.00000 -0.00002 -0.00000 -0.00001 237 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000 238 17D+1 0.00000 0.00000 -0.00000 -0.00000 -0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 241 17D-2 0.00000 0.00000 -0.00000 0.00000 -0.00000 242 18D 0 0.00000 0.00000 0.00000 0.00000 0.00000 243 18D+1 0.00000 0.00000 -0.00000 0.00000 -0.00000 244 18D-1 0.00000 0.00000 0.00000 0.00000 0.00000 245 18D+2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 248 19D+1 -0.00000 -0.00000 0.00000 -0.00000 0.00000 249 19D-1 -0.00000 -0.00000 0.00000 0.00000 0.00000 250 19D+2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 251 19D-2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 252 20D 0 0.00000 0.00000 -0.00000 -0.00000 -0.00000 253 20D+1 0.00000 0.00000 -0.00000 0.00000 -0.00000 254 20D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 255 20D+2 -0.00000 0.00000 -0.00000 0.00000 -0.00000 256 20D-2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 257 10 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 258 2S -0.00000 -0.00000 0.00001 -0.00000 -0.00000 259 3S 0.00000 -0.00000 0.00010 -0.00000 -0.00003 260 4PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 261 4PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 262 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 263 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00000 265 3S 0.00000 0.00000 0.00001 0.00000 0.00006 266 4PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 267 4PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 268 4PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 269 12 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 270 2S -0.00000 -0.00000 0.00001 0.00000 -0.00002 271 3S -0.00000 -0.00000 0.00005 0.00000 -0.00007 272 4PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 273 4PY 0.00000 0.00000 0.00000 -0.00000 0.00000 274 4PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 275 13 H 1S 0.00000 0.00000 0.00003 -0.00000 0.00035 276 2S 0.00000 -0.00000 -0.00001 -0.00000 0.00127 277 3S 0.00000 -0.00000 -0.00021 -0.00000 0.00036 278 4PX 0.00000 0.00000 0.00000 0.00004 0.00000 279 4PY -0.00000 0.00000 0.00001 0.00000 0.00001 280 4PZ -0.00000 0.00000 0.00003 -0.00000 0.00010 161 162 163 164 165 161 7D+2 0.00092 162 7D-2 -0.00000 0.00077 163 7 H 1S 0.00029 0.00000 0.08396 164 2S 0.00022 0.00000 0.08761 0.18442 165 3S 0.00021 0.00000 0.01738 0.05470 0.04075 166 4PX -0.00000 -0.00009 0.00000 0.00000 0.00000 167 4PY 0.00000 -0.00000 0.00000 0.00000 0.00000 168 4PZ -0.00002 -0.00000 0.00000 0.00000 0.00000 169 8 Mg 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 170 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 171 3S -0.00000 0.00000 0.00000 0.00000 0.00004 172 4S 0.00000 -0.00000 0.00000 0.00000 0.00017 173 5S -0.00014 -0.00000 -0.00019 -0.00069 -0.00538 174 6S -0.00001 -0.00000 0.00036 0.00194 0.00175 175 7S 0.00000 0.00000 -0.00001 -0.00006 0.00017 176 7PX 0.00000 -0.00000 0.00000 0.00000 0.00000 177 7PY -0.00000 0.00000 -0.00002 -0.00009 0.00002 178 7PZ 0.00000 0.00000 0.00003 0.00003 0.00038 179 8PX 0.00000 -0.00000 0.00000 0.00000 0.00000 180 8PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 181 8PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 182 9PX 0.00000 -0.00000 0.00000 0.00000 0.00000 183 9PY 0.00000 -0.00000 -0.00000 -0.00000 0.00005 184 9PZ 0.00000 -0.00000 0.00000 0.00000 0.00006 185 10PX -0.00000 0.00001 -0.00000 -0.00000 -0.00000 186 10PY -0.00000 0.00000 -0.00000 -0.00002 -0.00003 187 10PZ -0.00007 -0.00000 -0.00001 -0.00006 -0.00112 188 11PX -0.00000 0.00005 -0.00000 -0.00000 -0.00000 189 11PY -0.00000 -0.00000 0.00013 0.00061 0.00071 190 11PZ -0.00007 -0.00000 0.00003 0.00031 -0.00100 191 12PX -0.00000 0.00002 -0.00000 -0.00000 -0.00000 192 12PY -0.00000 -0.00000 0.00021 0.00087 0.00101 193 12PZ -0.00001 -0.00000 0.00000 0.00047 -0.00159 194 13D 0 -0.00002 0.00000 -0.00000 -0.00000 -0.00004 195 13D+1 0.00000 0.00001 -0.00000 -0.00000 -0.00000 196 13D-1 0.00000 0.00000 -0.00000 -0.00000 -0.00008 197 13D+2 0.00000 0.00000 0.00000 0.00001 0.00001 198 13D-2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 199 14D 0 -0.00009 -0.00000 -0.00004 -0.00002 -0.00036 200 14D+1 0.00000 0.00009 -0.00000 -0.00000 -0.00000 201 14D-1 0.00000 -0.00000 0.00025 0.00101 0.00046 202 14D+2 0.00000 -0.00000 0.00005 0.00017 0.00016 203 14D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 205 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 206 3S 0.00000 -0.00000 0.00000 -0.00000 0.00000 207 4S 0.00000 -0.00000 0.00000 -0.00000 0.00000 208 5S -0.00000 0.00000 0.00000 0.00000 -0.00000 209 6S -0.00000 0.00000 0.00000 0.00000 -0.00000 210 7S 0.00000 -0.00000 0.00000 -0.00000 0.00000 211 8S 0.00000 -0.00000 0.00000 0.00000 0.00003 212 9S -0.00000 -0.00000 -0.00001 -0.00005 -0.00031 213 9PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 214 9PY -0.00000 0.00000 -0.00000 -0.00002 -0.00002 215 9PZ -0.00000 -0.00000 -0.00002 -0.00008 -0.00027 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 218 10PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 221 11PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 222 12PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 223 12PY -0.00000 0.00000 0.00000 0.00000 -0.00000 224 12PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 225 13PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 226 13PY -0.00000 0.00000 0.00000 0.00000 -0.00000 227 13PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 230 14PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 231 15PX 0.00000 -0.00000 0.00000 0.00000 0.00000 232 15PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 233 15PZ 0.00000 -0.00000 0.00000 0.00000 0.00002 234 16PX 0.00000 0.00000 0.00000 0.00000 0.00000 235 16PY -0.00000 0.00000 -0.00000 -0.00000 0.00004 236 16PZ 0.00000 0.00000 0.00000 0.00001 0.00026 237 17D 0 -0.00000 0.00000 0.00000 -0.00000 -0.00000 238 17D+1 -0.00000 0.00000 0.00000 -0.00000 -0.00000 239 17D-1 -0.00000 0.00000 0.00000 0.00000 -0.00000 240 17D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 241 17D-2 0.00000 -0.00000 0.00000 -0.00000 0.00000 242 18D 0 -0.00000 0.00000 0.00000 -0.00000 -0.00000 243 18D+1 -0.00000 0.00000 0.00000 -0.00000 -0.00000 244 18D-1 -0.00000 0.00000 -0.00000 0.00000 -0.00000 245 18D+2 0.00000 0.00000 -0.00000 -0.00000 0.00000 246 18D-2 -0.00000 -0.00000 0.00000 0.00000 0.00000 247 19D 0 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 248 19D+1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 249 19D-1 0.00000 0.00000 -0.00000 0.00000 -0.00000 250 19D+2 0.00000 -0.00000 0.00000 0.00000 0.00000 251 19D-2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 252 20D 0 0.00000 -0.00000 0.00000 0.00000 0.00000 253 20D+1 0.00000 0.00000 0.00000 0.00000 0.00000 254 20D-1 -0.00000 -0.00000 0.00000 0.00000 0.00000 255 20D+2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 258 2S -0.00001 0.00000 -0.00000 -0.00000 -0.00004 259 3S 0.00006 0.00000 -0.00000 -0.00004 -0.00012 260 4PX -0.00000 0.00000 0.00000 0.00000 0.00000 261 4PY 0.00000 -0.00000 0.00000 0.00000 0.00000 262 4PZ -0.00000 0.00000 0.00000 0.00000 0.00000 263 11 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00001 265 3S 0.00001 0.00000 0.00000 0.00001 0.00013 266 4PX -0.00000 0.00000 0.00000 0.00000 0.00000 267 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 268 4PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 269 12 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 270 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00008 271 3S -0.00001 -0.00000 -0.00001 -0.00006 -0.00042 272 4PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 273 4PY -0.00000 0.00000 0.00000 0.00000 0.00000 274 4PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 275 13 H 1S 0.00003 0.00000 -0.00000 -0.00004 -0.00028 276 2S 0.00014 0.00000 -0.00004 -0.00069 -0.00123 277 3S 0.00005 -0.00000 -0.00027 -0.00140 -0.00118 278 4PX 0.00000 0.00001 -0.00000 -0.00000 -0.00000 279 4PY -0.00000 0.00000 0.00000 0.00000 0.00000 280 4PZ -0.00000 0.00000 -0.00000 -0.00004 -0.00013 166 167 168 169 170 166 4PX 0.00051 167 4PY 0.00000 0.00147 168 4PZ 0.00000 -0.00000 0.00051 169 8 Mg 1S 0.00000 -0.00000 0.00000 0.36844 170 2S 0.00000 -0.00000 0.00000 0.44808 1.01189 171 3S -0.00000 0.00000 -0.00000 -0.02584 -0.17763 172 4S -0.00000 0.00000 -0.00000 -0.01174 -0.08771 173 5S -0.00000 -0.00001 -0.00002 0.00005 0.00036 174 6S -0.00000 0.00003 -0.00000 -0.00019 -0.00167 175 7S 0.00000 -0.00000 0.00000 0.00000 0.00003 176 7PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 177 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 7PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 179 8PX -0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 181 8PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 182 9PX -0.00000 -0.00000 0.00000 0.00000 0.00000 183 9PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 184 9PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 185 10PX 0.00000 0.00000 -0.00000 0.00000 0.00000 186 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 187 10PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 188 11PX 0.00001 0.00000 0.00000 0.00000 0.00000 189 11PY 0.00000 0.00001 -0.00000 0.00000 0.00000 190 11PZ 0.00000 0.00001 -0.00002 0.00000 0.00000 191 12PX 0.00002 0.00000 0.00000 0.00000 0.00000 192 12PY 0.00000 0.00000 -0.00000 0.00000 0.00000 193 12PZ 0.00000 0.00004 0.00000 0.00000 0.00000 194 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 195 13D+1 0.00000 0.00000 -0.00000 0.00000 0.00000 196 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 197 13D+2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 198 13D-2 0.00000 0.00000 0.00000 -0.00000 -0.00000 199 14D 0 0.00000 -0.00000 0.00000 -0.00000 -0.00000 200 14D+1 0.00003 0.00000 0.00000 -0.00000 -0.00000 201 14D-1 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 202 14D+2 0.00000 0.00000 -0.00000 0.00000 -0.00000 203 14D-2 0.00001 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 205 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00000 0.00000 0.00000 207 4S 0.00000 0.00000 0.00000 0.00000 0.00000 208 5S -0.00000 0.00000 -0.00000 0.00000 -0.00000 209 6S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 210 7S 0.00000 -0.00000 0.00000 0.00000 0.00000 211 8S 0.00000 -0.00000 0.00000 0.00001 0.00005 212 9S -0.00000 0.00000 0.00000 -0.00001 -0.00011 213 9PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 214 9PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 215 9PZ 0.00000 0.00000 0.00000 -0.00001 -0.00004 216 10PX -0.00000 -0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 -0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 219 11PX -0.00000 -0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 -0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 222 12PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 223 12PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 224 12PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 225 13PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 226 13PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 227 13PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 228 14PX -0.00000 -0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 -0.00000 0.00000 0.00000 0.00000 230 14PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 231 15PX -0.00000 -0.00000 0.00000 0.00000 0.00000 232 15PY 0.00000 -0.00000 0.00000 0.00000 0.00000 233 15PZ 0.00000 -0.00000 0.00000 0.00000 0.00004 234 16PX 0.00000 0.00000 0.00000 0.00000 0.00000 235 16PY 0.00000 0.00000 0.00000 0.00000 0.00000 236 16PZ 0.00000 0.00000 0.00000 0.00005 0.00039 237 17D 0 -0.00000 0.00000 -0.00000 0.00000 -0.00000 238 17D+1 -0.00000 0.00000 0.00000 0.00000 -0.00000 239 17D-1 -0.00000 0.00000 -0.00000 0.00000 -0.00000 240 17D+2 0.00000 -0.00000 -0.00000 0.00000 0.00000 241 17D-2 -0.00000 0.00000 -0.00000 0.00000 0.00000 242 18D 0 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 243 18D+1 0.00000 0.00000 0.00000 -0.00000 -0.00000 244 18D-1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 245 18D+2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 246 18D-2 -0.00000 0.00000 -0.00000 0.00000 0.00000 247 19D 0 0.00000 -0.00000 0.00000 0.00000 0.00000 248 19D+1 -0.00000 -0.00000 0.00000 0.00000 0.00000 249 19D-1 -0.00000 0.00000 -0.00000 0.00000 0.00000 250 19D+2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 251 19D-2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 252 20D 0 -0.00000 -0.00000 0.00000 0.00000 0.00003 253 20D+1 0.00000 0.00000 -0.00000 0.00000 0.00000 254 20D-1 0.00000 0.00000 0.00000 0.00000 0.00000 255 20D+2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 256 20D-2 -0.00000 0.00000 0.00000 -0.00000 -0.00000 257 10 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 258 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 259 3S -0.00000 0.00000 0.00000 -0.00000 -0.00000 260 4PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 261 4PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 262 4PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 263 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 265 3S 0.00000 0.00000 0.00000 -0.00000 -0.00000 266 4PX -0.00000 0.00000 0.00000 0.00000 0.00000 267 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 268 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 269 12 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 270 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 271 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 272 4PX -0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 13 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 276 2S -0.00000 -0.00000 -0.00003 -0.00000 -0.00000 277 3S -0.00000 -0.00000 -0.00010 -0.00000 -0.00000 278 4PX 0.00000 0.00000 -0.00000 0.00000 0.00000 279 4PY 0.00000 -0.00000 0.00000 0.00000 0.00000 280 4PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 171 172 173 174 175 171 3S 0.72547 172 4S 0.53854 0.60463 173 5S -0.00713 -0.04059 0.41837 174 6S 0.01489 0.01982 0.20478 0.28400 175 7S -0.00030 -0.00034 -0.00750 -0.01136 0.00086 176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 177 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 178 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 180 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 181 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 183 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 184 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 186 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 187 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 188 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 189 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 190 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 192 12PY 0.00000 0.00000 0.00000 0.00000 0.00000 193 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000 194 13D 0 -0.00000 -0.00000 0.00000 0.00000 -0.00000 195 13D+1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 196 13D-1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 197 13D+2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 198 13D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 199 14D 0 0.00000 0.00000 0.00000 0.00000 -0.00000 200 14D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 201 14D-1 0.00000 0.00000 0.00000 0.00000 -0.00000 202 14D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 203 14D-2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 204 9 Br 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 205 2S 0.00000 0.00000 -0.00000 -0.00002 0.00000 206 3S -0.00000 -0.00000 0.00003 0.00023 -0.00001 207 4S -0.00000 -0.00000 0.00005 0.00052 -0.00001 208 5S 0.00000 0.00000 -0.00022 -0.00222 0.00007 209 6S 0.00000 0.00000 -0.00068 -0.00518 0.00016 210 7S -0.00000 -0.00004 0.00388 0.02334 -0.00095 211 8S -0.00052 -0.00083 -0.01485 0.00724 -0.00029 212 9S 0.00079 0.00018 0.03904 0.04652 -0.00377 213 9PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 214 9PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 215 9PZ 0.00024 -0.00038 0.01887 0.01564 -0.00064 216 10PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 217 10PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 218 10PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 219 11PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 220 11PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 221 11PZ -0.00000 -0.00000 0.00005 0.00005 -0.00000 222 12PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 223 12PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 224 12PZ 0.00000 0.00000 -0.00127 -0.00108 0.00001 225 13PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 226 13PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 227 13PZ 0.00000 0.00000 -0.00165 -0.00136 0.00002 228 14PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 229 14PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 230 14PZ -0.00000 -0.00003 0.00773 0.00638 -0.00009 231 15PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 232 15PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 233 15PZ -0.00058 -0.00289 0.05139 0.04403 -0.00064 234 16PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 235 16PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 236 16PZ -0.00409 -0.01069 0.05697 0.06418 -0.00113 237 17D 0 0.00000 0.00000 -0.00003 0.00001 -0.00000 238 17D+1 0.00000 0.00000 -0.00000 0.00000 -0.00000 239 17D-1 0.00000 0.00000 -0.00000 0.00000 -0.00000 240 17D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 241 17D-2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 242 18D 0 0.00000 0.00000 -0.00012 0.00001 -0.00000 243 18D+1 0.00000 0.00000 -0.00000 0.00000 -0.00000 244 18D-1 0.00000 0.00000 -0.00000 0.00000 -0.00000 245 18D+2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 246 18D-2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 247 19D 0 -0.00000 -0.00001 0.00035 0.00011 -0.00000 248 19D+1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 249 19D-1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 250 19D+2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 251 19D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 252 20D 0 -0.00037 -0.00104 0.00328 0.00146 -0.00001 253 20D+1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 254 20D-1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 255 20D+2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 256 20D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 257 10 H 1S 0.00000 0.00000 -0.00019 0.00036 -0.00001 258 2S 0.00000 0.00000 -0.00069 0.00194 -0.00006 259 3S 0.00004 0.00017 -0.00538 0.00175 0.00017 260 4PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 261 4PY 0.00000 0.00000 -0.00001 0.00003 -0.00000 262 4PZ -0.00000 -0.00000 -0.00002 -0.00000 0.00000 263 11 H 1S 0.00000 0.00000 -0.00000 0.00002 -0.00001 264 2S 0.00000 0.00000 -0.00001 0.00009 -0.00002 265 3S 0.00000 0.00000 -0.00015 -0.00023 0.00006 266 4PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 267 4PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 268 4PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 269 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 270 2S -0.00000 -0.00000 0.00000 0.00003 -0.00000 271 3S -0.00000 -0.00000 0.00001 0.00001 -0.00002 272 4PX 0.00000 -0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 -0.00000 0.00000 0.00000 0.00000 274 4PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 275 13 H 1S 0.00000 0.00000 -0.00000 0.00002 -0.00001 276 2S 0.00000 0.00000 -0.00001 0.00009 -0.00002 277 3S 0.00000 0.00000 -0.00015 -0.00023 0.00006 278 4PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 279 4PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 280 4PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 176 177 178 179 180 176 7PX 0.00003 177 7PY 0.00000 0.00007 178 7PZ 0.00000 0.00000 0.00083 179 8PX -0.00001 -0.00000 -0.00000 0.44494 180 8PY -0.00000 -0.00000 0.00000 0.00000 0.44446 181 8PZ -0.00000 0.00000 0.00000 0.00000 0.00000 182 9PX -0.00008 -0.00000 -0.00000 0.33203 0.00000 183 9PY -0.00000 -0.00002 0.00000 0.00000 0.33156 184 9PZ -0.00000 0.00000 0.00001 0.00000 0.00000 185 10PX -0.00005 -0.00000 -0.00000 0.00421 0.00000 186 10PY -0.00000 0.00004 -0.00000 0.00000 0.00451 187 10PZ -0.00000 -0.00000 -0.00002 0.00000 -0.00000 188 11PX -0.00002 0.00000 -0.00000 -0.00056 -0.00000 189 11PY 0.00000 0.00014 -0.00000 -0.00000 -0.00077 190 11PZ -0.00000 -0.00000 -0.00092 -0.00000 -0.00000 191 12PX -0.00009 -0.00000 -0.00000 0.00007 0.00000 192 12PY -0.00000 -0.00013 -0.00000 0.00000 -0.00001 193 12PZ -0.00000 -0.00000 -0.00723 0.00000 0.00000 194 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 195 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 196 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 197 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000 200 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 201 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000 202 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 205 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 206 3S 0.00000 0.00000 0.00001 0.00000 0.00000 207 4S 0.00000 0.00000 0.00001 0.00000 0.00000 208 5S -0.00000 -0.00000 -0.00006 0.00000 0.00000 209 6S -0.00000 -0.00000 -0.00014 0.00000 0.00000 210 7S 0.00000 0.00000 0.00051 -0.00000 -0.00000 211 8S -0.00000 -0.00000 -0.00051 -0.00000 -0.00000 212 9S 0.00000 0.00000 0.00228 -0.00000 -0.00000 213 9PX 0.00004 0.00000 -0.00000 -0.00001 -0.00000 214 9PY 0.00000 0.00017 0.00000 -0.00000 -0.00000 215 9PZ -0.00000 0.00000 -0.00061 0.00000 -0.00000 216 10PX 0.00000 0.00000 -0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 219 11PX 0.00000 0.00000 -0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 222 12PX -0.00000 -0.00000 0.00000 0.00000 0.00000 223 12PY -0.00000 -0.00001 -0.00000 0.00000 0.00000 224 12PZ 0.00000 -0.00000 0.00001 0.00000 0.00000 225 13PX -0.00000 -0.00000 0.00000 0.00000 0.00000 226 13PY -0.00000 -0.00001 -0.00000 0.00000 0.00000 227 13PZ 0.00000 -0.00000 0.00001 0.00000 0.00000 228 14PX 0.00001 0.00000 -0.00000 -0.00000 -0.00000 229 14PY 0.00000 0.00006 0.00000 -0.00000 -0.00000 230 14PZ -0.00000 0.00000 -0.00005 -0.00000 -0.00000 231 15PX 0.00008 0.00000 -0.00000 -0.00001 -0.00000 232 15PY 0.00000 0.00046 0.00000 -0.00000 -0.00001 233 15PZ -0.00000 0.00000 -0.00040 -0.00000 -0.00000 234 16PX 0.00015 0.00000 -0.00000 -0.00006 -0.00000 235 16PY 0.00000 0.00094 0.00000 -0.00000 -0.00006 236 16PZ -0.00000 0.00000 -0.00063 -0.00000 -0.00000 237 17D 0 0.00000 -0.00000 0.00000 -0.00000 -0.00000 238 17D+1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 239 17D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 240 17D+2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 241 17D-2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 242 18D 0 0.00000 -0.00000 0.00000 -0.00000 -0.00000 243 18D+1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 244 18D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 245 18D+2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 246 18D-2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 247 19D 0 -0.00000 0.00000 -0.00000 0.00000 0.00000 248 19D+1 -0.00000 -0.00000 0.00000 0.00000 0.00000 249 19D-1 -0.00000 -0.00000 0.00000 0.00000 0.00000 250 19D+2 -0.00000 -0.00000 -0.00000 0.00000 0.00000 251 19D-2 -0.00000 -0.00000 -0.00000 0.00000 0.00000 252 20D 0 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 253 20D+1 0.00000 0.00000 0.00000 -0.00001 -0.00000 254 20D-1 0.00000 0.00001 0.00000 -0.00000 -0.00001 255 20D+2 -0.00000 0.00000 0.00000 -0.00000 -0.00000 256 20D-2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 257 10 H 1S 0.00000 -0.00002 0.00003 0.00000 -0.00000 258 2S -0.00000 -0.00009 0.00003 0.00000 -0.00000 259 3S 0.00000 0.00002 0.00038 0.00000 0.00000 260 4PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 261 4PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 262 4PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 263 11 H 1S -0.00000 -0.00000 -0.00002 0.00000 0.00000 264 2S -0.00000 -0.00000 -0.00002 0.00000 -0.00000 265 3S 0.00000 -0.00000 0.00015 0.00000 -0.00000 266 4PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 267 4PY -0.00000 0.00000 -0.00000 0.00000 0.00000 268 4PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 269 12 H 1S -0.00000 -0.00000 -0.00001 0.00000 0.00000 270 2S -0.00000 -0.00000 -0.00007 -0.00000 -0.00000 271 3S -0.00000 -0.00000 -0.00007 -0.00000 -0.00000 272 4PX 0.00000 0.00000 -0.00000 0.00000 0.00000 273 4PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 274 4PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 275 13 H 1S -0.00000 -0.00000 -0.00002 0.00000 0.00000 276 2S -0.00000 -0.00000 -0.00002 0.00000 -0.00000 277 3S 0.00000 -0.00000 0.00015 0.00000 -0.00000 278 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 4PY 0.00000 0.00000 -0.00000 0.00000 0.00000 280 4PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 181 182 183 184 185 181 8PZ 0.45735 182 9PX 0.00000 0.82715 183 9PY 0.00000 0.00000 0.82571 184 9PZ 0.33957 0.00000 0.00000 0.84168 185 10PX 0.00000 0.03091 0.00000 0.00000 0.00954 186 10PY -0.00000 0.00000 0.03309 -0.00000 0.00000 187 10PZ 0.00296 0.00000 -0.00000 0.02151 0.00000 188 11PX -0.00000 -0.00526 -0.00000 -0.00000 0.00288 189 11PY -0.00000 -0.00000 -0.00730 -0.00000 0.00000 190 11PZ -0.00074 -0.00000 -0.00000 -0.00689 0.00000 191 12PX 0.00000 0.00069 0.00000 0.00000 0.00094 192 12PY 0.00000 0.00000 -0.00015 0.00000 0.00000 193 12PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 194 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 195 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 196 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 197 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000 200 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 201 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000 202 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 205 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 206 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 207 4S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 208 5S 0.00000 0.00000 0.00000 0.00000 -0.00000 209 6S 0.00000 0.00000 0.00000 0.00000 -0.00000 210 7S -0.00001 -0.00000 -0.00000 -0.00022 0.00000 211 8S -0.00007 -0.00000 -0.00000 -0.00084 0.00000 212 9S -0.00002 -0.00000 -0.00000 -0.00023 0.00000 213 9PX 0.00000 -0.00008 -0.00000 0.00000 0.00025 214 9PY -0.00000 -0.00000 -0.00005 -0.00000 0.00000 215 9PZ -0.00001 0.00000 -0.00000 -0.00005 -0.00000 216 10PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 217 10PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 218 10PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 219 11PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 220 11PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 221 11PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 -0.00003 223 12PY 0.00000 0.00000 0.00000 0.00000 -0.00000 224 12PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 -0.00005 226 13PY 0.00000 0.00000 0.00000 0.00000 -0.00000 227 13PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 228 14PX -0.00000 -0.00000 -0.00000 -0.00000 0.00027 229 14PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 230 14PZ -0.00000 -0.00000 -0.00000 -0.00008 0.00000 231 15PX -0.00000 -0.00015 -0.00000 -0.00000 0.00260 232 15PY -0.00000 -0.00000 -0.00015 -0.00000 0.00000 233 15PZ -0.00019 -0.00000 -0.00000 -0.00328 0.00000 234 16PX -0.00000 -0.00063 -0.00000 -0.00000 0.00502 235 16PY -0.00000 -0.00000 -0.00065 -0.00000 0.00000 236 16PZ -0.00050 -0.00000 -0.00000 -0.00492 0.00000 237 17D 0 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 238 17D+1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 239 17D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 240 17D+2 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 241 17D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 242 18D 0 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 243 18D+1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 244 18D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 245 18D+2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 246 18D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00000 0.00000 0.00000 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00001 249 19D-1 0.00000 0.00000 0.00000 0.00000 0.00000 250 19D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 251 19D-2 -0.00000 0.00000 0.00000 -0.00000 0.00000 252 20D 0 -0.00009 -0.00000 -0.00000 -0.00089 0.00000 253 20D+1 -0.00000 -0.00007 -0.00000 -0.00000 0.00056 254 20D-1 -0.00000 -0.00000 -0.00007 -0.00000 0.00000 255 20D+2 -0.00000 -0.00000 -0.00000 0.00000 0.00000 256 20D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 257 10 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 258 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 259 3S 0.00000 0.00000 0.00005 0.00006 -0.00000 260 4PX 0.00000 -0.00000 0.00000 0.00000 0.00000 261 4PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 262 4PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 263 11 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 264 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 265 3S 0.00000 0.00000 -0.00000 0.00000 -0.00000 266 4PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 267 4PY 0.00000 0.00000 0.00000 0.00000 -0.00000 268 4PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 269 12 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 270 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 271 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 272 4PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 273 4PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 274 4PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 275 13 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 276 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 277 3S 0.00000 0.00000 -0.00000 0.00000 -0.00000 278 4PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 279 4PY 0.00000 0.00000 0.00000 0.00000 -0.00000 280 4PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 186 187 188 189 190 186 10PY 0.00925 187 10PZ 0.00000 0.04522 188 11PX 0.00000 0.00000 0.00812 189 11PY -0.00016 0.00000 0.00000 0.00440 190 11PZ 0.00000 0.00009 0.00000 0.00000 0.01732 191 12PX 0.00000 -0.00000 0.00147 0.00000 0.00000 192 12PY -0.00051 -0.00000 0.00000 -0.00027 0.00000 193 12PZ -0.00000 -0.00913 0.00000 0.00000 0.01978 194 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 195 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 196 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 197 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000 200 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 201 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000 202 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 205 2S -0.00000 -0.00000 0.00000 0.00000 0.00003 206 3S 0.00000 0.00002 -0.00000 -0.00000 -0.00025 207 4S 0.00000 0.00004 -0.00000 -0.00000 -0.00058 208 5S -0.00000 -0.00020 0.00000 0.00000 0.00243 209 6S -0.00000 -0.00051 0.00000 0.00000 0.00508 210 7S 0.00000 0.00362 -0.00000 -0.00000 -0.01578 211 8S 0.00000 0.00465 -0.00000 -0.00000 -0.00828 212 9S 0.00000 0.00122 -0.00000 -0.00000 -0.00424 213 9PX 0.00000 -0.00000 0.00074 0.00000 0.00000 214 9PY 0.00041 0.00000 0.00000 0.00080 -0.00000 215 9PZ 0.00000 0.00013 0.00000 -0.00000 -0.00001 216 10PX 0.00000 0.00000 0.00000 0.00000 -0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 219 11PX 0.00000 0.00000 0.00001 0.00000 -0.00000 220 11PY 0.00000 0.00000 0.00000 0.00001 0.00000 221 11PZ 0.00000 0.00003 -0.00000 0.00000 -0.00001 222 12PX -0.00000 -0.00000 -0.00018 -0.00000 0.00000 223 12PY -0.00003 -0.00000 -0.00000 -0.00015 -0.00000 224 12PZ -0.00000 -0.00071 0.00000 -0.00000 0.00023 225 13PX -0.00000 -0.00000 -0.00023 -0.00000 0.00000 226 13PY -0.00005 -0.00000 -0.00000 -0.00019 -0.00000 227 13PZ -0.00000 -0.00094 0.00000 -0.00000 0.00029 228 14PX 0.00000 0.00000 0.00109 0.00000 -0.00000 229 14PY 0.00029 0.00000 0.00000 0.00088 0.00000 230 14PZ 0.00000 0.00467 -0.00000 0.00000 -0.00127 231 15PX 0.00000 0.00000 0.00735 0.00000 -0.00000 232 15PY 0.00273 0.00000 0.00000 0.00600 0.00000 233 15PZ 0.00000 0.03202 -0.00000 0.00000 -0.00638 234 16PX 0.00000 0.00000 0.01180 0.00000 0.00000 235 16PY 0.00510 0.00000 0.00000 0.00936 0.00000 236 16PZ 0.00000 0.02584 0.00000 0.00000 -0.00377 237 17D 0 -0.00000 -0.00003 -0.00000 -0.00000 -0.00010 238 17D+1 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 239 17D-1 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 240 17D+2 -0.00000 0.00000 -0.00000 0.00000 -0.00000 241 17D-2 -0.00000 0.00000 -0.00000 0.00000 0.00000 242 18D 0 -0.00000 -0.00012 -0.00000 -0.00000 -0.00026 243 18D+1 -0.00000 -0.00000 -0.00004 -0.00000 -0.00000 244 18D-1 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 245 18D+2 -0.00000 -0.00000 -0.00000 0.00000 0.00000 246 18D-2 -0.00000 0.00000 -0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00018 -0.00000 -0.00000 -0.00013 248 19D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 249 19D-1 0.00001 0.00000 0.00000 0.00002 -0.00000 250 19D+2 0.00000 0.00000 0.00000 0.00000 0.00000 251 19D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00000 0.00216 0.00000 -0.00000 -0.00034 253 20D+1 0.00000 0.00000 0.00078 0.00000 -0.00000 254 20D-1 0.00049 0.00000 0.00000 0.00058 -0.00000 255 20D+2 0.00000 -0.00000 0.00000 0.00000 -0.00000 256 20D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 257 10 H 1S -0.00000 -0.00001 0.00000 0.00013 0.00003 258 2S -0.00002 -0.00006 0.00000 0.00061 0.00031 259 3S -0.00003 -0.00112 -0.00000 0.00071 -0.00100 260 4PX -0.00000 -0.00000 0.00001 -0.00000 -0.00000 261 4PY 0.00000 -0.00000 -0.00000 0.00001 0.00001 262 4PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00002 263 11 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 264 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 265 3S 0.00000 -0.00001 -0.00000 -0.00000 -0.00011 266 4PX 0.00000 0.00000 -0.00000 0.00000 0.00000 267 4PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 268 4PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 269 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 270 2S 0.00000 0.00000 0.00000 0.00000 0.00000 271 3S 0.00000 0.00000 0.00000 0.00000 0.00002 272 4PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 273 4PY 0.00000 0.00000 -0.00000 0.00000 0.00000 274 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 13 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 276 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 277 3S 0.00000 -0.00001 -0.00000 -0.00000 -0.00011 278 4PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 279 4PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 280 4PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 191 192 193 194 195 191 12PX 0.00138 192 12PY 0.00000 0.00121 193 12PZ 0.00000 0.00000 0.13544 194 13D 0 0.00000 0.00000 0.00000 0.00473 195 13D+1 0.00000 0.00000 0.00000 0.00000 0.00196 196 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 197 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 198 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 199 14D 0 0.00000 0.00000 0.00000 0.00296 0.00000 200 14D+1 0.00000 0.00000 0.00000 0.00000 0.00125 201 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000 202 14D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 203 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 204 9 Br 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 205 2S 0.00000 0.00000 0.00003 -0.00000 -0.00000 206 3S -0.00000 -0.00000 -0.00028 0.00001 0.00000 207 4S -0.00000 -0.00000 -0.00065 0.00001 0.00000 208 5S 0.00000 0.00000 0.00271 -0.00007 -0.00000 209 6S 0.00000 0.00000 0.00595 -0.00022 -0.00000 210 7S -0.00000 -0.00000 -0.02047 0.00236 0.00000 211 8S -0.00000 -0.00000 -0.00302 0.00067 0.00000 212 9S -0.00000 -0.00000 -0.04248 0.00031 0.00000 213 9PX 0.00005 -0.00000 0.00000 -0.00000 0.00008 214 9PY -0.00000 -0.00063 -0.00000 0.00000 0.00000 215 9PZ 0.00000 -0.00000 0.00565 -0.00010 0.00000 216 10PX 0.00000 -0.00000 0.00000 0.00000 0.00000 217 10PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 218 10PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 219 11PX 0.00000 -0.00000 0.00000 0.00000 0.00000 220 11PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 221 11PZ 0.00000 -0.00000 -0.00001 0.00001 -0.00000 222 12PX -0.00003 0.00000 -0.00000 -0.00000 -0.00002 223 12PY 0.00000 0.00005 0.00000 -0.00000 -0.00000 224 12PZ -0.00000 0.00000 0.00025 -0.00017 0.00000 225 13PX -0.00004 0.00000 -0.00000 -0.00000 -0.00004 226 13PY 0.00000 0.00007 0.00000 -0.00000 -0.00000 227 13PZ -0.00000 0.00000 0.00030 -0.00026 0.00000 228 14PX 0.00020 -0.00000 0.00000 0.00000 0.00026 229 14PY -0.00000 -0.00032 -0.00000 0.00000 0.00000 230 14PZ 0.00000 -0.00000 -0.00132 0.00135 -0.00000 231 15PX 0.00137 -0.00000 0.00000 0.00000 0.00257 232 15PY -0.00000 -0.00226 -0.00000 0.00000 0.00000 233 15PZ 0.00000 -0.00000 -0.00678 0.00765 -0.00000 234 16PX 0.00268 -0.00000 0.00000 0.00000 0.00292 235 16PY -0.00000 -0.00390 -0.00000 0.00000 0.00000 236 16PZ 0.00000 -0.00000 -0.00184 0.00189 -0.00000 237 17D 0 0.00000 -0.00000 0.00001 -0.00001 -0.00000 238 17D+1 0.00000 0.00000 -0.00000 -0.00000 -0.00000 239 17D-1 0.00000 0.00001 -0.00000 -0.00000 -0.00000 240 17D+2 0.00000 0.00000 0.00000 -0.00000 -0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 242 18D 0 0.00000 -0.00000 0.00003 -0.00005 -0.00000 243 18D+1 0.00001 0.00000 -0.00000 -0.00000 -0.00001 244 18D-1 0.00000 0.00004 -0.00000 -0.00000 -0.00000 245 18D+2 0.00000 0.00000 0.00000 -0.00000 -0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 247 19D 0 0.00000 -0.00000 0.00005 0.00012 0.00000 248 19D+1 0.00000 0.00000 -0.00000 0.00000 0.00001 249 19D-1 0.00000 0.00001 -0.00000 0.00000 0.00000 250 19D+2 0.00000 0.00000 0.00000 0.00000 0.00000 251 19D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 252 20D 0 0.00000 -0.00000 0.00071 0.00043 0.00000 253 20D+1 0.00010 0.00000 -0.00000 0.00000 0.00037 254 20D-1 0.00000 -0.00004 -0.00000 0.00000 0.00000 255 20D+2 0.00000 -0.00000 0.00000 -0.00000 0.00000 256 20D-2 0.00000 -0.00000 0.00000 -0.00000 0.00000 257 10 H 1S 0.00000 0.00021 0.00000 -0.00000 -0.00000 258 2S 0.00000 0.00087 0.00047 -0.00000 -0.00000 259 3S -0.00000 0.00101 -0.00159 -0.00004 -0.00000 260 4PX 0.00002 -0.00000 0.00000 -0.00000 0.00000 261 4PY 0.00000 0.00000 0.00004 0.00000 -0.00000 262 4PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 263 11 H 1S 0.00000 -0.00000 0.00004 0.00000 0.00000 264 2S -0.00000 -0.00002 0.00000 -0.00000 0.00000 265 3S -0.00000 -0.00005 -0.00060 -0.00000 -0.00000 266 4PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 267 4PY -0.00000 0.00000 0.00000 0.00000 0.00000 268 4PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 269 12 H 1S -0.00000 -0.00000 -0.00006 -0.00000 0.00000 270 2S -0.00000 -0.00000 -0.00021 0.00000 0.00000 271 3S -0.00000 -0.00000 -0.00039 0.00000 0.00000 272 4PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 273 4PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 274 4PZ -0.00000 -0.00000 -0.00001 0.00000 0.00000 275 13 H 1S 0.00000 -0.00000 0.00004 0.00000 -0.00000 276 2S 0.00000 -0.00002 0.00000 -0.00000 -0.00000 277 3S -0.00000 -0.00005 -0.00060 -0.00000 -0.00000 278 4PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 279 4PY 0.00000 0.00000 0.00000 0.00000 -0.00000 280 4PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 196 197 198 199 200 196 13D-1 0.00149 197 13D+2 0.00000 0.00001 198 13D-2 0.00000 -0.00000 0.00001 199 14D 0 0.00000 0.00000 0.00000 0.01271 200 14D+1 0.00000 0.00000 0.00000 0.00000 0.00406 201 14D-1 0.00105 0.00000 0.00000 0.00000 0.00000 202 14D+2 0.00000 0.00001 -0.00000 -0.00000 0.00000 203 14D-2 0.00000 0.00000 0.00001 0.00000 0.00000 204 9 Br 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 205 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 206 3S 0.00000 -0.00000 -0.00000 -0.00001 0.00000 207 4S 0.00000 -0.00000 -0.00000 -0.00002 0.00000 208 5S -0.00000 0.00000 0.00000 0.00005 -0.00000 209 6S -0.00000 -0.00000 0.00000 -0.00060 -0.00000 210 7S 0.00000 0.00000 -0.00000 0.01031 0.00000 211 8S 0.00000 0.00000 -0.00000 0.00007 -0.00000 212 9S 0.00000 -0.00000 -0.00000 0.00217 0.00000 213 9PX 0.00000 0.00000 0.00000 -0.00000 0.00062 214 9PY 0.00008 0.00000 0.00000 0.00000 0.00000 215 9PZ 0.00000 -0.00000 -0.00000 -0.00101 0.00000 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00001 220 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00000 -0.00000 0.00002 -0.00000 222 12PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00036 223 12PY -0.00002 -0.00000 -0.00000 -0.00000 -0.00000 224 12PZ -0.00000 -0.00000 0.00000 -0.00039 0.00000 225 13PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00043 226 13PY -0.00004 -0.00000 -0.00000 -0.00000 -0.00000 227 13PZ -0.00000 -0.00000 0.00000 -0.00045 0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00196 229 14PY 0.00026 0.00000 0.00000 0.00000 0.00000 230 14PZ 0.00000 0.00000 -0.00000 0.00181 -0.00000 231 15PX 0.00000 0.00000 0.00000 -0.00000 0.01152 232 15PY 0.00257 0.00000 0.00000 0.00000 0.00000 233 15PZ 0.00000 -0.00000 -0.00000 0.00653 -0.00000 234 16PX 0.00000 0.00000 0.00000 -0.00000 0.01246 235 16PY 0.00294 0.00000 0.00000 0.00000 0.00000 236 16PZ 0.00000 -0.00000 -0.00000 -0.00058 -0.00000 237 17D 0 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 238 17D+1 -0.00000 -0.00000 -0.00000 0.00000 -0.00006 239 17D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 240 17D+2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 241 17D-2 -0.00000 -0.00000 0.00000 0.00000 -0.00000 242 18D 0 -0.00000 0.00000 0.00000 -0.00001 -0.00000 243 18D+1 -0.00000 -0.00000 -0.00000 0.00000 -0.00016 244 18D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 245 18D+2 -0.00000 0.00000 0.00000 0.00000 -0.00000 246 18D-2 -0.00000 -0.00000 0.00000 0.00000 -0.00000 247 19D 0 0.00000 -0.00000 -0.00000 0.00000 -0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 -0.00003 249 19D-1 0.00001 0.00000 0.00000 0.00000 -0.00000 250 19D+2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 251 19D-2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 252 20D 0 0.00000 0.00000 -0.00000 -0.00014 -0.00000 253 20D+1 0.00000 0.00000 0.00000 0.00000 0.00037 254 20D-1 0.00040 0.00000 0.00000 0.00000 0.00000 255 20D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 256 20D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 257 10 H 1S -0.00000 0.00000 0.00000 -0.00004 -0.00000 258 2S -0.00000 0.00001 0.00000 -0.00002 0.00000 259 3S -0.00008 0.00001 0.00000 -0.00036 -0.00000 260 4PX -0.00000 0.00000 0.00000 -0.00000 0.00003 261 4PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 262 4PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 263 11 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 264 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 265 3S 0.00000 0.00000 0.00000 -0.00012 -0.00000 266 4PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 267 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 268 4PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 269 12 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 270 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 271 3S 0.00000 0.00000 -0.00000 0.00002 0.00000 272 4PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 273 4PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 274 4PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 275 13 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 276 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 277 3S 0.00000 0.00000 0.00000 -0.00012 -0.00000 278 4PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 279 4PY 0.00000 0.00000 0.00000 0.00000 -0.00000 280 4PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 201 202 203 204 205 201 14D-1 0.00508 202 14D+2 0.00000 0.00009 203 14D-2 0.00000 0.00000 0.00007 204 9 Br 1S -0.00000 0.00000 -0.00000 0.34319 205 2S -0.00000 0.00000 0.00000 0.47038 1.25312 206 3S -0.00000 0.00000 0.00000 -0.04823 -0.37137 207 4S -0.00000 0.00000 0.00000 -0.02377 -0.20307 208 5S 0.00000 0.00000 -0.00000 0.00402 0.03966 209 6S -0.00000 -0.00000 0.00000 0.00253 0.02526 210 7S 0.00000 0.00000 -0.00000 -0.00023 -0.00232 211 8S -0.00000 0.00000 -0.00000 -0.00007 -0.00070 212 9S 0.00000 0.00000 -0.00000 -0.00000 -0.00002 213 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 214 9PY 0.00090 0.00000 0.00000 0.00000 0.00000 215 9PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00002 0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 222 12PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 223 12PY -0.00052 -0.00000 -0.00000 0.00000 0.00000 224 12PZ -0.00000 0.00000 0.00000 0.00000 0.00000 225 13PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 226 13PY -0.00062 -0.00000 -0.00000 0.00000 0.00000 227 13PZ -0.00000 0.00000 0.00000 0.00000 0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00279 0.00000 0.00000 0.00000 0.00000 230 14PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 231 15PX 0.00000 0.00000 0.00000 0.00000 0.00000 232 15PY 0.01641 0.00000 0.00000 0.00000 0.00000 233 15PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 234 16PX 0.00000 0.00000 0.00000 0.00000 0.00000 235 16PY 0.01787 0.00000 0.00000 0.00000 0.00000 236 16PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 237 17D 0 -0.00000 0.00000 -0.00000 0.00000 0.00000 238 17D+1 -0.00000 -0.00000 -0.00000 0.00000 0.00000 239 17D-1 -0.00010 -0.00000 -0.00000 0.00000 0.00000 240 17D+2 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 241 17D-2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 242 18D 0 -0.00000 0.00000 -0.00000 0.00000 0.00000 243 18D+1 -0.00000 -0.00000 -0.00000 0.00000 0.00000 244 18D-1 -0.00028 -0.00000 -0.00000 0.00000 0.00000 245 18D+2 -0.00000 -0.00002 0.00000 -0.00000 0.00000 246 18D-2 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 247 19D 0 0.00000 -0.00000 0.00000 -0.00000 -0.00000 248 19D+1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 249 19D-1 -0.00006 -0.00000 -0.00000 -0.00000 -0.00000 250 19D+2 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 251 19D-2 -0.00000 0.00000 -0.00001 0.00000 0.00000 252 20D 0 0.00000 -0.00000 0.00000 -0.00000 -0.00000 253 20D+1 0.00000 0.00000 0.00000 -0.00000 -0.00000 254 20D-1 0.00056 0.00000 0.00000 -0.00000 -0.00000 255 20D+2 0.00000 -0.00002 0.00000 -0.00000 0.00000 256 20D-2 0.00000 0.00000 -0.00001 0.00000 0.00000 257 10 H 1S 0.00025 0.00005 0.00000 0.00000 0.00000 258 2S 0.00101 0.00017 0.00000 0.00000 0.00000 259 3S 0.00046 0.00016 0.00000 -0.00000 -0.00000 260 4PX -0.00000 0.00000 0.00001 -0.00000 -0.00000 261 4PY 0.00001 0.00000 0.00000 0.00000 0.00000 262 4PZ -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 263 11 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 264 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 265 3S -0.00002 0.00000 0.00000 0.00000 0.00000 266 4PX -0.00000 -0.00000 0.00000 0.00000 0.00000 267 4PY -0.00000 0.00000 -0.00000 0.00000 0.00000 268 4PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 269 12 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 270 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 271 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 272 4PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 275 13 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 276 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 277 3S -0.00002 0.00000 -0.00000 0.00000 0.00000 278 4PX -0.00000 -0.00000 0.00000 0.00000 0.00000 279 4PY -0.00000 0.00000 0.00000 0.00000 0.00000 280 4PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 206 207 208 209 210 206 3S 1.18775 207 4S 0.92939 0.97449 208 5S -0.32342 -0.55046 1.12142 209 6S -0.21271 -0.39847 0.99265 1.17559 210 7S 0.02167 0.05004 -0.20776 -0.43349 1.31172 211 8S 0.00666 0.01538 -0.06521 -0.14202 0.54429 212 9S 0.00021 0.00049 -0.00212 -0.00454 0.01554 213 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 214 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 215 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 219 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 221 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000 222 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 223 12PY 0.00000 0.00000 0.00000 0.00000 0.00000 224 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000 225 13PX 0.00000 0.00000 0.00000 0.00000 0.00000 226 13PY 0.00000 0.00000 0.00000 0.00000 0.00000 227 13PZ 0.00000 0.00000 0.00000 0.00000 0.00000 228 14PX 0.00000 0.00000 0.00000 0.00000 0.00000 229 14PY 0.00000 0.00000 0.00000 0.00000 0.00000 230 14PZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 15PX 0.00000 0.00000 0.00000 0.00000 0.00000 232 15PY 0.00000 0.00000 0.00000 0.00000 0.00000 233 15PZ 0.00000 0.00000 0.00000 0.00000 0.00000 234 16PX 0.00000 0.00000 0.00000 0.00000 0.00000 235 16PY 0.00000 0.00000 0.00000 0.00000 0.00000 236 16PZ 0.00000 0.00000 0.00000 0.00000 0.00000 237 17D 0 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 238 17D+1 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 239 17D-1 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 240 17D+2 0.00000 0.00000 0.00000 -0.00000 -0.00000 241 17D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 242 18D 0 -0.00000 -0.00000 0.00000 0.00000 -0.00000 243 18D+1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 244 18D-1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 245 18D+2 -0.00000 0.00000 -0.00000 0.00000 0.00000 246 18D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 247 19D 0 0.00000 0.00000 -0.00000 -0.00000 0.00000 248 19D+1 0.00000 0.00000 -0.00000 -0.00000 0.00000 249 19D-1 0.00000 0.00000 -0.00000 -0.00000 0.00000 250 19D+2 0.00000 0.00000 0.00000 0.00000 -0.00000 251 19D-2 -0.00000 -0.00000 0.00000 0.00000 -0.00000 252 20D 0 0.00000 0.00000 -0.00000 -0.00000 0.00000 253 20D+1 0.00000 0.00000 -0.00000 -0.00000 0.00000 254 20D-1 0.00000 0.00000 -0.00000 -0.00000 0.00000 255 20D+2 0.00000 0.00000 -0.00000 0.00000 -0.00000 256 20D-2 -0.00000 -0.00000 0.00000 0.00000 -0.00000 257 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 258 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 259 3S 0.00000 0.00000 -0.00000 -0.00000 0.00000 260 4PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 261 4PY 0.00000 0.00000 0.00000 0.00000 -0.00000 262 4PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 263 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 265 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 266 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 267 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 268 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 269 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 270 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 271 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 276 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 277 3S -0.00000 -0.00000 0.00000 0.00000 -0.00000 278 4PX 0.00000 0.00000 0.00000 0.00000 -0.00000 279 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 280 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 211 212 213 214 215 211 8S 0.34820 212 9S 0.00669 0.04598 213 9PX 0.00000 0.00000 0.00110 214 9PY 0.00000 0.00000 0.00000 0.00143 215 9PZ 0.00000 0.00000 0.00000 0.00000 0.00552 216 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 217 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 218 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 219 11PX 0.00000 0.00000 0.00001 0.00000 0.00000 220 11PY 0.00000 0.00000 0.00000 0.00001 0.00000 221 11PZ 0.00000 0.00000 0.00000 0.00000 0.00001 222 12PX 0.00000 0.00000 -0.00018 -0.00000 -0.00000 223 12PY 0.00000 0.00000 -0.00000 -0.00021 -0.00000 224 12PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00024 225 13PX 0.00000 0.00000 -0.00022 -0.00000 -0.00000 226 13PY 0.00000 0.00000 -0.00000 -0.00025 -0.00000 227 13PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00031 228 14PX 0.00000 0.00000 0.00101 0.00000 0.00000 229 14PY 0.00000 0.00000 0.00000 0.00119 0.00000 230 14PZ 0.00000 0.00000 0.00000 0.00000 0.00142 231 15PX 0.00000 0.00000 0.00678 0.00000 0.00000 232 15PY 0.00000 0.00000 0.00000 0.00796 0.00000 233 15PZ 0.00000 0.00000 0.00000 0.00000 0.00932 234 16PX 0.00000 0.00000 0.01097 0.00000 0.00000 235 16PY 0.00000 0.00000 0.00000 0.01280 0.00000 236 16PZ 0.00000 0.00000 0.00000 0.00000 0.01266 237 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00000 0.00000 0.00000 241 17D-2 -0.00000 -0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 0.00000 0.00000 0.00000 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00000 0.00000 0.00000 0.00000 245 18D+2 -0.00000 -0.00000 0.00000 0.00000 0.00000 246 18D-2 -0.00000 -0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00000 0.00000 0.00000 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00000 0.00000 0.00000 0.00000 250 19D+2 0.00000 0.00000 0.00000 0.00000 0.00000 251 19D-2 -0.00000 -0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00000 0.00000 0.00000 0.00000 0.00000 253 20D+1 0.00000 0.00000 0.00000 0.00000 0.00000 254 20D-1 0.00000 0.00000 0.00000 0.00000 0.00000 255 20D+2 -0.00000 -0.00000 0.00000 0.00000 0.00000 256 20D-2 -0.00000 -0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.00000 -0.00001 -0.00000 -0.00000 -0.00002 258 2S 0.00000 -0.00005 -0.00000 -0.00002 -0.00008 259 3S 0.00003 -0.00031 -0.00000 -0.00002 -0.00027 260 4PX 0.00000 0.00000 -0.00000 0.00000 0.00000 261 4PY -0.00000 0.00000 0.00000 0.00000 0.00000 262 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 263 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 265 3S 0.00000 -0.00001 -0.00000 0.00000 -0.00001 266 4PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 267 4PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 268 4PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 269 12 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 270 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 271 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 272 4PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 273 4PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 274 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 275 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 276 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 277 3S 0.00000 -0.00001 -0.00000 0.00000 -0.00001 278 4PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 279 4PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 280 4PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 216 217 218 219 220 216 10PX 0.03800 217 10PY 0.00000 0.03800 218 10PZ 0.00000 0.00000 0.03796 219 11PX 0.12553 0.00000 0.00000 2.08991 220 11PY 0.00000 0.12553 0.00000 0.00000 2.08987 221 11PZ 0.00000 0.00000 0.12540 0.00000 0.00000 222 12PX -0.00485 -0.00000 -0.00000 -0.35220 -0.00000 223 12PY -0.00000 -0.00485 -0.00000 -0.00000 -0.35215 224 12PZ -0.00000 -0.00000 -0.00481 -0.00000 -0.00000 225 13PX -0.00034 -0.00000 -0.00000 -0.03739 -0.00000 226 13PY -0.00000 -0.00034 -0.00000 -0.00000 -0.03738 227 13PZ -0.00000 -0.00000 -0.00034 -0.00000 -0.00000 228 14PX 0.00003 0.00000 0.00000 0.00299 0.00000 229 14PY 0.00000 0.00003 0.00000 0.00000 0.00299 230 14PZ 0.00000 0.00000 0.00002 0.00000 0.00000 231 15PX 0.00002 0.00000 0.00000 0.00258 0.00000 232 15PY 0.00000 0.00002 0.00000 0.00000 0.00257 233 15PZ 0.00000 0.00000 0.00002 0.00000 0.00000 234 16PX 0.00000 0.00000 0.00000 0.00050 0.00000 235 16PY 0.00000 0.00000 -0.00000 0.00000 0.00049 236 16PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 237 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00000 0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 0.00000 0.00000 0.00000 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00000 0.00000 0.00000 0.00000 245 18D+2 0.00000 0.00000 0.00000 0.00000 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00000 0.00000 0.00000 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00000 0.00000 0.00000 0.00000 250 19D+2 0.00000 0.00000 0.00000 0.00000 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00000 0.00000 0.00000 0.00000 0.00000 253 20D+1 0.00000 0.00000 0.00000 0.00000 0.00000 254 20D-1 0.00000 0.00000 0.00000 0.00000 0.00000 255 20D+2 0.00000 0.00000 0.00000 0.00000 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 258 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 259 3S 0.00000 0.00000 0.00000 0.00000 0.00000 260 4PX -0.00000 0.00000 0.00000 -0.00000 0.00000 261 4PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 262 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 263 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00000 265 3S -0.00000 0.00000 -0.00000 -0.00000 0.00000 266 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 267 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 268 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 269 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 270 2S 0.00000 0.00000 0.00000 0.00000 0.00000 271 3S 0.00000 0.00000 0.00000 0.00000 0.00000 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 276 2S 0.00000 0.00000 0.00000 0.00000 0.00000 277 3S -0.00000 0.00000 -0.00000 -0.00000 0.00000 278 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 280 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 221 222 223 224 225 221 11PZ 2.08747 222 12PX -0.00000 1.71737 223 12PY -0.00000 0.00000 1.71709 224 12PZ -0.34916 0.00000 0.00000 1.70050 225 13PX -0.00000 0.35266 0.00000 0.00000 0.14522 226 13PY -0.00000 0.00000 0.35258 0.00000 0.00000 227 13PZ -0.03717 0.00000 0.00000 0.34885 0.00000 228 14PX 0.00000 -0.03660 -0.00000 -0.00000 -0.03042 229 14PY 0.00000 -0.00000 -0.03647 -0.00000 -0.00000 230 14PZ 0.00264 -0.00000 -0.00000 -0.02985 -0.00000 231 15PX 0.00000 -0.05628 -0.00000 -0.00000 -0.05523 232 15PY 0.00000 -0.00000 -0.05622 -0.00000 -0.00000 233 15PZ 0.00231 -0.00000 -0.00000 -0.05093 -0.00000 234 16PX 0.00000 -0.01111 -0.00000 -0.00000 -0.01289 235 16PY -0.00000 -0.00000 -0.01097 0.00000 -0.00000 236 16PZ 0.00040 -0.00000 0.00000 -0.00881 -0.00000 237 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00000 0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 0.00000 0.00000 0.00000 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00000 0.00000 0.00000 0.00000 245 18D+2 0.00000 0.00000 0.00000 0.00000 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00000 0.00000 0.00000 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00000 0.00000 0.00000 0.00000 250 19D+2 0.00000 0.00000 0.00000 0.00000 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00000 0.00000 0.00000 0.00000 0.00000 253 20D+1 0.00000 0.00000 0.00000 0.00000 0.00000 254 20D-1 0.00000 0.00000 0.00000 0.00000 0.00000 255 20D+2 0.00000 0.00000 0.00000 0.00000 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 258 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 259 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 260 4PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 261 4PY -0.00000 -0.00000 0.00000 0.00000 0.00000 262 4PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 263 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 265 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 266 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 267 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 268 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 269 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 270 2S 0.00000 0.00000 0.00000 0.00000 0.00000 271 3S 0.00000 0.00000 0.00000 0.00000 0.00000 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 276 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 277 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 278 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 280 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 226 227 228 229 230 226 13PY 0.14517 227 13PZ 0.00000 0.14352 228 14PX -0.00000 -0.00000 0.11456 229 14PY -0.03032 -0.00000 0.00000 0.11427 230 14PZ -0.00000 -0.02590 0.00000 0.00000 0.10174 231 15PX -0.00000 -0.00000 0.19477 0.00000 0.00000 232 15PY -0.05515 -0.00000 0.00000 0.19447 0.00000 233 15PZ -0.00000 -0.05018 0.00000 0.00000 0.17395 234 16PX -0.00000 -0.00000 0.05569 0.00000 0.00000 235 16PY -0.01273 0.00000 0.00000 0.05499 -0.00000 236 16PZ 0.00000 -0.01025 0.00000 -0.00000 0.04349 237 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00000 0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 0.00000 0.00000 0.00000 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00000 0.00000 0.00000 0.00000 245 18D+2 0.00000 0.00000 0.00000 0.00000 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00000 0.00000 0.00000 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00000 0.00000 0.00000 0.00000 250 19D+2 0.00000 0.00000 0.00000 0.00000 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00000 0.00000 0.00000 0.00000 0.00000 253 20D+1 0.00000 0.00000 0.00000 0.00000 0.00000 254 20D-1 0.00000 0.00000 0.00000 0.00000 0.00000 255 20D+2 0.00000 0.00000 0.00000 0.00000 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 258 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 259 3S -0.00000 -0.00000 0.00000 0.00000 0.00000 260 4PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 261 4PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 262 4PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 263 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 265 3S -0.00000 0.00000 -0.00000 0.00000 -0.00000 266 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 267 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 268 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 269 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 270 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 271 3S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 276 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 277 3S -0.00000 0.00000 -0.00000 0.00000 -0.00000 278 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 280 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 231 232 233 234 235 231 15PX 0.59976 232 15PY 0.00000 0.59948 233 15PZ 0.00000 0.00000 0.54136 234 16PX 0.28235 0.00000 0.00000 0.26283 235 16PY 0.00000 0.27907 -0.00000 0.00000 0.25685 236 16PZ 0.00000 -0.00000 0.22341 0.00000 -0.00000 237 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000 238 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000 239 17D-1 0.00000 0.00000 0.00000 0.00000 0.00000 240 17D+2 0.00000 0.00000 0.00000 0.00000 0.00000 241 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000 242 18D 0 0.00000 0.00000 0.00000 0.00000 0.00000 243 18D+1 0.00000 0.00000 0.00000 0.00000 0.00000 244 18D-1 0.00000 0.00000 0.00000 0.00000 0.00000 245 18D+2 0.00000 0.00000 0.00000 0.00000 0.00000 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.00000 0.00000 0.00000 0.00000 248 19D+1 0.00000 0.00000 0.00000 0.00000 0.00000 249 19D-1 0.00000 0.00000 0.00000 0.00000 0.00000 250 19D+2 0.00000 0.00000 0.00000 0.00000 0.00000 251 19D-2 0.00000 0.00000 0.00000 0.00000 0.00000 252 20D 0 0.00000 0.00000 0.00000 0.00000 0.00000 253 20D+1 0.00000 0.00000 0.00000 0.00000 0.00000 254 20D-1 0.00000 0.00000 0.00000 0.00000 0.00000 255 20D+2 0.00000 0.00000 0.00000 0.00000 0.00000 256 20D-2 0.00000 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 258 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 259 3S 0.00000 0.00000 0.00002 0.00000 0.00004 260 4PX -0.00000 0.00000 0.00000 0.00000 0.00000 261 4PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 262 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 263 11 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 0.00000 265 3S -0.00000 0.00000 -0.00000 0.00000 0.00000 266 4PX -0.00000 0.00000 0.00000 -0.00000 0.00000 267 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 268 4PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 269 12 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 270 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 271 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 272 4PX 0.00000 0.00000 -0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 -0.00000 0.00000 0.00000 274 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 275 13 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 276 2S 0.00000 0.00000 0.00000 0.00000 0.00000 277 3S -0.00000 0.00000 -0.00000 -0.00000 0.00000 278 4PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 279 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 280 4PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 236 237 238 239 240 236 16PZ 0.18641 237 17D 0 0.00000 1.31247 238 17D+1 0.00000 0.00000 1.31305 239 17D-1 0.00000 0.00000 0.00000 1.31291 240 17D+2 0.00000 0.00000 0.00000 0.00000 1.31436 241 17D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 242 18D 0 0.00000 0.21733 0.00000 0.00000 0.00000 243 18D+1 0.00000 0.00000 0.21665 0.00000 0.00000 244 18D-1 0.00000 0.00000 0.00000 0.21687 0.00000 245 18D+2 0.00000 0.00000 0.00000 0.00000 0.21587 246 18D-2 0.00000 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.01813 0.00000 0.00000 -0.00000 248 19D+1 0.00000 0.00000 0.01881 0.00000 0.00000 249 19D-1 0.00000 0.00000 0.00000 0.01860 0.00000 250 19D+2 0.00000 -0.00000 0.00000 0.00000 0.01948 251 19D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 252 20D 0 0.00000 0.00152 0.00000 0.00000 0.00000 253 20D+1 0.00000 0.00000 0.00127 0.00000 0.00000 254 20D-1 0.00000 0.00000 0.00000 0.00134 0.00000 255 20D+2 0.00000 -0.00000 0.00000 0.00000 0.00104 256 20D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 257 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 258 2S 0.00001 -0.00000 0.00000 0.00000 -0.00000 259 3S 0.00026 -0.00000 -0.00000 -0.00000 0.00000 260 4PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 261 4PY 0.00000 0.00000 0.00000 0.00000 -0.00000 262 4PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 263 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 265 3S -0.00000 0.00000 -0.00000 -0.00000 0.00000 266 4PX -0.00000 0.00000 0.00000 0.00000 0.00000 267 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 268 4PZ -0.00000 0.00000 0.00000 0.00000 0.00000 269 12 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 270 2S -0.00000 0.00000 0.00000 0.00000 0.00000 271 3S -0.00000 -0.00000 0.00000 -0.00000 0.00000 272 4PX -0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY -0.00000 0.00000 0.00000 0.00000 0.00000 274 4PZ -0.00000 0.00000 0.00000 0.00000 0.00000 275 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 276 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 277 3S -0.00000 0.00000 0.00000 -0.00000 0.00000 278 4PX -0.00000 0.00000 0.00000 0.00000 0.00000 279 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 280 4PZ -0.00000 0.00000 0.00000 0.00000 0.00000 241 242 243 244 245 241 17D-2 1.31439 242 18D 0 0.00000 0.15989 243 18D+1 0.00000 0.00000 0.15881 244 18D-1 0.00000 0.00000 0.00000 0.15914 245 18D+2 0.00000 0.00000 0.00000 0.00000 0.15751 246 18D-2 0.21583 0.00000 0.00000 0.00000 0.00000 247 19D 0 0.00000 0.02083 0.00000 0.00000 0.00000 248 19D+1 0.00000 0.00000 0.02164 0.00000 0.00000 249 19D-1 0.00000 0.00000 0.00000 0.02141 0.00000 250 19D+2 -0.00000 -0.00000 0.00000 0.00000 0.02230 251 19D-2 0.01952 0.00000 0.00000 0.00000 -0.00000 252 20D 0 0.00000 0.00348 0.00000 0.00000 0.00000 253 20D+1 0.00000 0.00000 0.00293 0.00000 0.00000 254 20D-1 0.00000 0.00000 0.00000 0.00310 0.00000 255 20D+2 0.00000 0.00000 0.00000 0.00000 0.00239 256 20D-2 0.00103 0.00000 0.00000 0.00000 0.00000 257 10 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 258 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 259 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 260 4PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 261 4PY 0.00000 0.00000 0.00000 0.00000 -0.00000 262 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 263 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 265 3S -0.00000 0.00000 -0.00000 -0.00000 0.00000 266 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 267 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 268 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 269 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 270 2S 0.00000 0.00000 0.00000 0.00000 0.00000 271 3S 0.00000 -0.00000 0.00000 -0.00000 0.00000 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 276 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 277 3S 0.00000 0.00000 0.00000 -0.00000 0.00000 278 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 280 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 246 247 248 249 250 246 18D-2 0.15744 247 19D 0 0.00000 0.00404 248 19D+1 0.00000 0.00000 0.00382 249 19D-1 0.00000 0.00000 0.00000 0.00375 250 19D+2 0.00000 0.00000 0.00000 0.00000 0.00403 251 19D-2 0.02235 0.00000 0.00000 0.00000 -0.00000 252 20D 0 0.00000 0.00143 0.00000 0.00000 -0.00000 253 20D+1 0.00000 0.00000 0.00099 0.00000 0.00000 254 20D-1 0.00000 0.00000 0.00000 0.00104 0.00000 255 20D+2 -0.00000 -0.00000 0.00000 0.00000 0.00072 256 20D-2 0.00236 0.00000 0.00000 0.00000 0.00000 257 10 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 258 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 259 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 260 4PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 261 4PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 262 4PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 263 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 264 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 265 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 266 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 267 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 268 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 269 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 270 2S 0.00000 0.00000 0.00000 0.00000 0.00000 271 3S 0.00000 0.00000 0.00000 0.00000 0.00000 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 275 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 276 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 277 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 278 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 279 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 280 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 251 252 253 254 255 251 19D-2 0.00405 252 20D 0 0.00000 0.00342 253 20D+1 0.00000 0.00000 0.00292 254 20D-1 0.00000 0.00000 0.00000 0.00280 255 20D+2 -0.00000 -0.00000 0.00000 0.00000 0.00061 256 20D-2 0.00071 0.00000 0.00000 0.00000 -0.00000 257 10 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 258 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 259 3S 0.00000 0.00000 0.00000 0.00000 -0.00000 260 4PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 261 4PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 262 4PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 263 11 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 264 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 265 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 266 4PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 267 4PY 0.00000 0.00000 0.00000 0.00000 -0.00000 268 4PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 269 12 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 270 2S -0.00000 0.00000 0.00000 0.00000 0.00000 271 3S -0.00000 0.00000 0.00000 0.00000 0.00000 272 4PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 273 4PY 0.00000 0.00000 -0.00000 0.00000 0.00000 274 4PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 275 13 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 276 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 277 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 278 4PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 279 4PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 280 4PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 256 257 258 259 260 256 20D-2 0.00059 257 10 H 1S -0.00000 0.08396 258 2S 0.00000 0.08761 0.18442 259 3S -0.00000 0.01738 0.05470 0.04075 260 4PX -0.00000 0.00000 0.00000 0.00000 0.00051 261 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 262 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 263 11 H 1S 0.00000 -0.00000 -0.00004 -0.00028 -0.00000 264 2S 0.00000 -0.00004 -0.00069 -0.00123 -0.00000 265 3S 0.00000 -0.00027 -0.00140 -0.00118 -0.00000 266 4PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 267 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 268 4PZ 0.00000 -0.00000 -0.00004 -0.00013 -0.00000 269 12 H 1S -0.00000 -0.00000 -0.00000 -0.00001 0.00000 270 2S -0.00000 -0.00000 -0.00000 -0.00008 0.00000 271 3S -0.00000 -0.00001 -0.00006 -0.00042 0.00000 272 4PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 273 4PY 0.00000 0.00000 0.00000 0.00000 -0.00000 274 4PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 275 13 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 276 2S 0.00000 0.00000 0.00000 0.00001 -0.00000 277 3S -0.00000 0.00000 0.00001 0.00013 -0.00000 278 4PX -0.00000 0.00000 0.00000 0.00000 -0.00000 279 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 280 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 261 262 263 264 265 261 4PY 0.00147 262 4PZ -0.00000 0.00051 263 11 H 1S -0.00000 -0.00000 0.08342 264 2S -0.00000 -0.00003 0.08750 0.18478 265 3S -0.00000 -0.00010 0.01463 0.04746 0.02783 266 4PX 0.00000 -0.00000 0.00000 0.00000 0.00000 267 4PY -0.00000 0.00000 0.00000 0.00000 0.00000 268 4PZ -0.00000 0.00000 0.00000 0.00000 0.00000 269 12 H 1S -0.00000 0.00000 -0.00000 -0.00003 -0.00028 270 2S -0.00000 0.00000 -0.00003 -0.00063 -0.00141 271 3S -0.00000 0.00000 -0.00027 -0.00138 -0.00171 272 4PX -0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 -0.00000 -0.00001 -0.00007 274 4PZ 0.00000 0.00000 -0.00000 -0.00002 -0.00003 275 13 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00001 276 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00005 277 3S 0.00000 0.00000 -0.00001 -0.00005 -0.00029 278 4PX 0.00000 -0.00000 0.00000 0.00000 0.00000 279 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 280 4PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 266 267 268 269 270 266 4PX 0.00049 267 4PY 0.00000 0.00145 268 4PZ 0.00000 -0.00000 0.00060 269 12 H 1S -0.00000 -0.00000 0.00000 0.08343 270 2S -0.00000 -0.00003 0.00000 0.08755 0.18504 271 3S -0.00000 -0.00008 -0.00002 0.01454 0.04705 272 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 273 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 274 4PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 275 13 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00003 276 2S -0.00000 0.00000 -0.00000 -0.00003 -0.00063 277 3S -0.00000 0.00000 -0.00000 -0.00028 -0.00141 278 4PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 279 4PY 0.00000 0.00000 -0.00000 -0.00000 -0.00003 280 4PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 271 272 273 274 275 271 3S 0.02687 272 4PX 0.00000 0.00049 273 4PY 0.00000 0.00000 0.00018 274 4PZ 0.00000 0.00000 0.00000 0.00188 275 13 H 1S -0.00027 -0.00000 -0.00000 -0.00000 0.08342 276 2S -0.00138 -0.00000 -0.00001 -0.00002 0.08750 277 3S -0.00171 -0.00000 -0.00007 -0.00003 0.01463 278 4PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 279 4PY -0.00008 -0.00000 0.00000 -0.00000 0.00000 280 4PZ -0.00002 -0.00000 0.00000 0.00000 0.00000 276 277 278 279 280 276 2S 0.18478 277 3S 0.04746 0.02783 278 4PX 0.00000 0.00000 0.00049 279 4PY 0.00000 0.00000 0.00000 0.00145 280 4PZ 0.00000 0.00000 0.00000 -0.00000 0.00060 Gross orbital populations: 1 1 1 C 1S 1.10326 2 2S 0.88522 3 2PX 0.17101 4 2PY 0.23817 5 2PZ 0.24338 6 3S 0.78034 7 3PX 0.42011 8 3PY 0.51437 9 3PZ 0.52750 10 4S 0.37477 11 4PX 0.34420 12 4PY 0.19985 13 4PZ 0.17729 14 5S 0.08649 15 5PX 0.02064 16 5PY -0.00977 17 5PZ 0.04611 18 6D 0 0.00475 19 6D+1 0.00157 20 6D-1 0.00560 21 6D+2 0.00245 22 6D-2 0.00101 23 7D 0 0.01434 24 7D+1 0.02002 25 7D-1 0.02028 26 7D+2 0.00542 27 7D-2 0.01010 28 2 C 1S 1.10326 29 2S 0.88522 30 2PX 0.17037 31 2PY 0.24597 32 2PZ 0.23656 33 3S 0.78049 34 3PX 0.41835 35 3PY 0.53411 36 3PZ 0.50986 37 4S 0.36491 38 4PX 0.34319 39 4PY 0.15828 40 4PZ 0.20621 41 5S 0.00462 42 5PX 0.02200 43 5PY -0.01963 44 5PZ 0.01036 45 6D 0 0.00414 46 6D+1 0.00073 47 6D-1 0.00563 48 6D+2 0.00304 49 6D-2 0.00188 50 7D 0 0.01731 51 7D+1 0.00476 52 7D-1 0.01242 53 7D+2 0.01055 54 7D-2 0.02620 55 3 C 1S 1.10326 56 2S 0.88522 57 2PX 0.17101 58 2PY 0.23817 59 2PZ 0.24338 60 3S 0.78034 61 3PX 0.42011 62 3PY 0.51437 63 3PZ 0.52750 64 4S 0.37477 65 4PX 0.34420 66 4PY 0.19985 67 4PZ 0.17729 68 5S 0.08649 69 5PX 0.02064 70 5PY -0.00977 71 5PZ 0.04611 72 6D 0 0.00475 73 6D+1 0.00157 74 6D-1 0.00560 75 6D+2 0.00245 76 6D-2 0.00101 77 7D 0 0.01434 78 7D+1 0.02002 79 7D-1 0.02028 80 7D+2 0.00542 81 7D-2 0.01010 82 4 C 1S 1.10330 83 2S 0.88525 84 2PX 0.16998 85 2PY 0.23628 86 2PZ 0.24054 87 3S 0.78095 88 3PX 0.41637 89 3PY 0.51382 90 3PZ 0.52351 91 4S 0.36938 92 4PX 0.35829 93 4PY 0.19479 94 4PZ 0.17273 95 5S -0.00864 96 5PX 0.04941 97 5PY 0.05792 98 5PZ 0.11749 99 6D 0 0.00530 100 6D+1 0.00159 101 6D-1 0.00546 102 6D+2 0.00253 103 6D-2 0.00082 104 7D 0 0.02429 105 7D+1 0.02077 106 7D-1 0.03604 107 7D+2 0.00833 108 7D-2 0.00996 109 5 C 1S 1.10345 110 2S 0.88502 111 2PX 0.15623 112 2PY 0.23243 113 2PZ 0.23985 114 3S 0.76543 115 3PX 0.38903 116 3PY 0.50740 117 3PZ 0.54738 118 4S 0.52862 119 4PX 0.33996 120 4PY 0.19326 121 4PZ 0.28211 122 5S -0.80963 123 5PX -0.03682 124 5PY -0.06767 125 5PZ -0.06440 126 6D 0 0.00114 127 6D+1 0.00081 128 6D-1 0.00612 129 6D+2 0.00284 130 6D-2 0.00163 131 7D 0 0.02221 132 7D+1 0.00324 133 7D-1 0.01170 134 7D+2 0.01264 135 7D-2 0.02461 136 6 C 1S 1.10330 137 2S 0.88525 138 2PX 0.16998 139 2PY 0.23628 140 2PZ 0.24054 141 3S 0.78095 142 3PX 0.41637 143 3PY 0.51382 144 3PZ 0.52351 145 4S 0.36938 146 4PX 0.35829 147 4PY 0.19479 148 4PZ 0.17273 149 5S -0.00864 150 5PX 0.04941 151 5PY 0.05792 152 5PZ 0.11749 153 6D 0 0.00530 154 6D+1 0.00159 155 6D-1 0.00546 156 6D+2 0.00253 157 6D-2 0.00082 158 7D 0 0.02429 159 7D+1 0.02077 160 7D-1 0.03604 161 7D+2 0.00833 162 7D-2 0.00996 163 7 H 1S 0.28279 164 2S 0.52808 165 3S 0.08961 166 4PX 0.00638 167 4PY 0.01449 168 4PZ 0.00621 169 8 Mg 1S 0.77920 170 2S 1.19681 171 3S 1.03417 172 4S 0.95199 173 5S 0.65775 174 6S 0.36407 175 7S -0.01396 176 7PX -0.00045 177 7PY 0.00098 178 7PZ -0.00297 179 8PX 0.78056 180 8PY 0.77983 181 8PZ 0.79716 182 9PX 1.18393 183 9PY 1.18370 184 9PZ 1.17354 185 10PX 0.06243 186 10PY 0.05958 187 10PZ 0.21713 188 11PX 0.04488 189 11PY 0.01779 190 11PZ -0.02612 191 12PX 0.01862 192 12PY -0.00670 193 12PZ 0.04330 194 13D 0 0.03244 195 13D+1 0.01301 196 13D-1 0.01025 197 13D+2 0.00009 198 13D-2 0.00006 199 14D 0 0.02077 200 14D+1 0.05247 201 14D-1 0.04362 202 14D+2 0.00126 203 14D-2 0.00107 204 9 Br 1S 0.74783 205 2S 1.21097 206 3S 1.18956 207 4S 0.79312 208 5S 1.01251 209 6S 1.01138 210 7S 1.29573 211 8S 0.68904 212 9S 0.06931 213 9PX 0.02081 214 9PY 0.02537 215 9PZ 0.05094 216 10PX 0.15839 217 10PY 0.15839 218 10PZ 0.15826 219 11PX 1.83196 220 11PY 1.83196 221 11PZ 1.83200 222 12PX 1.60817 223 12PY 1.60808 224 12PZ 1.60320 225 13PX 0.36059 226 13PY 0.36069 227 13PZ 0.36518 228 14PX 0.30583 229 14PY 0.30532 230 14PZ 0.28190 231 15PX 1.00023 232 15PY 0.99958 233 15PZ 0.93328 234 16PX 0.62312 235 16PY 0.61598 236 16PZ 0.49430 237 17D 0 1.54927 238 17D+1 1.54971 239 17D-1 1.54962 240 17D+2 1.55075 241 17D-2 1.55076 242 18D 0 0.40094 243 18D+1 0.39983 244 18D-1 0.40024 245 18D+2 0.39805 246 18D-2 0.39796 247 19D 0 0.04495 248 19D+1 0.04527 249 19D-1 0.04478 250 19D+2 0.04652 251 19D-2 0.04662 252 20D 0 0.01244 253 20D+1 0.01026 254 20D-1 0.01033 255 20D+2 0.00473 256 20D-2 0.00468 257 10 H 1S 0.28279 258 2S 0.52808 259 3S 0.08961 260 4PX 0.00638 261 4PY 0.01449 262 4PZ 0.00621 263 11 H 1S 0.28083 264 2S 0.52706 265 3S 0.08231 266 4PX 0.00621 267 4PY 0.01420 268 4PZ 0.00699 269 12 H 1S 0.28091 270 2S 0.52710 271 3S 0.08202 272 4PX 0.00615 273 4PY 0.00342 274 4PZ 0.01783 275 13 H 1S 0.28083 276 2S 0.52706 277 3S 0.08231 278 4PX 0.00621 279 4PY 0.01420 280 4PZ 0.00699 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.440923 0.341854 0.254393 -0.260463 0.123939 0.048315 2 C 0.341854 5.284112 0.341854 0.069486 -0.527002 0.069486 3 C 0.254393 0.341854 5.440923 0.048315 0.123939 -0.260463 4 C -0.260463 0.069486 0.048315 5.713831 0.094950 -0.091968 5 C 0.123939 -0.527002 0.123939 0.094950 6.779005 0.094950 6 C 0.048315 0.069486 -0.260463 -0.091968 0.094950 5.713831 7 H -0.109216 0.028386 -0.018321 0.000443 -0.123554 0.524540 8 Mg 0.023177 0.136228 0.023177 0.199416 -0.979966 0.199416 9 Br 0.004866 0.006185 0.004866 0.031594 -0.252055 0.031594 10 H -0.018321 0.028386 -0.109216 0.524540 -0.123554 0.000443 11 H 0.021092 -0.078618 0.414021 -0.062069 0.040866 -0.002674 12 H -0.076100 0.439043 -0.076100 0.031063 -0.013802 0.031063 13 H 0.414021 -0.078618 0.021092 -0.002674 0.040866 -0.062069 7 8 9 10 11 12 1 C -0.109216 0.023177 0.004866 -0.018321 0.021092 -0.076100 2 C 0.028386 0.136228 0.006185 0.028386 -0.078618 0.439043 3 C -0.018321 0.023177 0.004866 -0.109216 0.414021 -0.076100 4 C 0.000443 0.199416 0.031594 0.524540 -0.062069 0.031063 5 C -0.123554 -0.979966 -0.252055 -0.123554 0.040866 -0.013802 6 C 0.524540 0.199416 0.031594 0.000443 -0.002674 0.031063 7 H 0.630995 0.000745 -0.000408 -0.000198 0.000147 -0.000560 8 Mg 0.000745 11.409835 0.462326 0.000745 -0.001040 -0.000736 9 Br -0.000408 0.462326 35.282186 -0.000408 -0.000022 -0.000016 10 H -0.000198 0.000745 -0.000408 0.630995 -0.005434 -0.000560 11 H 0.000147 -0.001040 -0.000022 -0.005434 0.597758 -0.006022 12 H -0.000560 -0.000736 -0.000016 -0.000560 -0.006022 0.596180 13 H -0.005434 -0.001040 -0.000022 0.000147 -0.000401 -0.006022 13 1 C 0.414021 2 C -0.078618 3 C 0.021092 4 C -0.002674 5 C 0.040866 6 C -0.062069 7 H -0.005434 8 Mg -0.001040 9 Br -0.000022 10 H 0.000147 11 H -0.000401 12 H -0.006022 13 H 0.597758 Mulliken charges: 1 1 C -0.208481 2 C -0.060782 3 C -0.208481 4 C -0.296465 5 C 0.721415 6 C -0.296465 7 H 0.072435 8 Mg 0.527716 9 Br -0.570686 10 H 0.072435 11 H 0.082396 12 H 0.082568 13 H 0.082396 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.126086 2 C 0.021786 3 C -0.126086 4 C -0.224030 5 C 0.721415 6 C -0.224030 8 Mg 0.527716 9 Br -0.570686 Electronic spatial extent (au): = 2894.8705 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.0000 Y= 0.0000 Z= -2.1942 Tot= 2.1942 Quadrupole moment (field-independent basis, Debye-Ang): XX= -66.6823 YY= -59.3034 ZZ= -74.3930 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.1106 YY= 7.4895 ZZ= -7.6001 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 0.0000 YYY= -0.0000 ZZZ= 34.5182 XYY= -0.0000 XXY= 0.0000 XXZ= 45.7810 XZZ= -0.0000 YZZ= 0.0000 YYZ= 25.1172 XYZ= -0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -88.8538 YYYY= -320.1771 ZZZZ= -3024.6288 XXXY= -0.0000 XXXZ= 0.0000 YYYX= -0.0000 YYYZ= 0.0000 ZZZX= 0.0000 ZZZY= 0.0000 XXYY= -78.0719 XXZZ= -582.2324 YYZZ= -551.3981 XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= -0.0000 N-N= 4.946716489701D+02 E-N=-8.160700967065D+03 KE= 3.001693706952D+03 Symmetry A1 KE= 2.177271723044D+03 Symmetry A2 KE= 4.524452309159D+01 Symmetry B1 KE= 3.524940558392D+02 Symmetry B2 KE= 4.266834049768D+02 Orbital energies and kinetic energies (alpha): 1 2 1 (A1)--O -482.783244 595.073512 2 (A1)--O -62.438391 116.675733 3 (A1)--O -56.256199 116.515972 4 (B2)--O -56.255156 116.518559 5 (B1)--O -56.255134 116.518633 6 (A1)--O -46.826437 67.171845 7 (B2)--O -10.178266 15.952297 8 (A1)--O -10.178263 15.953748 9 (A1)--O -10.177931 15.951243 10 (B2)--O -10.176235 15.953302 11 (A1)--O -10.176138 15.954685 12 (A1)--O -10.161417 15.955652 13 (A1)--O -8.657191 28.028594 14 (A1)--O -6.482614 25.968679 15 (B2)--O -6.478615 25.980847 16 (B1)--O -6.478557 25.980990 17 (A1)--O -3.131058 8.577493 18 (A1)--O -2.593990 21.484964 19 (B2)--O -2.592764 21.493677 20 (B1)--O -2.592707 21.494827 21 (A1)--O -2.589489 21.510955 22 (A2)--O -2.589487 21.511167 23 (B2)--O -1.879020 7.779083 24 (B1)--O -1.878436 7.782103 25 (A1)--O -1.871623 7.785634 26 (A1)--O -0.855638 1.489458 27 (B2)--O -0.750035 1.603990 28 (A1)--O -0.741760 1.751839 29 (A1)--O -0.738902 3.718140 30 (B2)--O -0.605640 1.465688 31 (A1)--O -0.596392 1.495391 32 (A1)--O -0.519887 0.998477 33 (A1)--O -0.454209 1.304011 34 (B2)--O -0.451156 1.480189 35 (B2)--O -0.425199 1.239599 36 (A1)--O -0.395681 1.317605 37 (B1)--O -0.371814 0.927848 38 (B2)--O -0.346608 1.416649 39 (A1)--O -0.335735 2.345052 40 (B2)--O -0.288137 2.457823 41 (B1)--O -0.287933 2.453141 42 (A1)--O -0.272048 1.607180 43 (A2)--O -0.260010 1.111094 44 (B1)--O -0.259461 1.089487 45 (A1)--V -0.057283 0.889888 46 (B1)--V -0.038134 0.936897 47 (B2)--V -0.024385 0.551404 48 (A2)--V -0.019831 1.187015 49 (B1)--V -0.002047 0.620811 50 (A1)--V -0.001365 0.247593 51 (B2)--V 0.015256 0.255413 52 (A1)--V 0.018128 0.363732 53 (A1)--V 0.026859 0.255250 54 (B1)--V 0.031237 0.367924 55 (B2)--V 0.037073 0.216012 56 (A1)--V 0.040480 0.267069 57 (A1)--V 0.058515 0.299168 58 (B1)--V 0.061987 0.293230 59 (B2)--V 0.064518 0.346187 60 (A1)--V 0.075564 0.292755 61 (A1)--V 0.078754 0.312660 62 (A2)--V 0.078954 0.289474 63 (B1)--V 0.089065 0.331121 64 (B2)--V 0.090863 0.309606 65 (A1)--V 0.093797 0.416628 66 (B1)--V 0.110898 0.606811 67 (A1)--V 0.112165 0.372144 68 (B2)--V 0.114316 0.380147 69 (A2)--V 0.118836 0.448047 70 (B1)--V 0.121835 0.632888 71 (A1)--V 0.130346 0.517491 72 (B2)--V 0.133621 0.391092 73 (B2)--V 0.144186 0.399368 74 (B1)--V 0.155037 0.431736 75 (A1)--V 0.166779 0.514488 76 (B1)--V 0.167892 0.708114 77 (B2)--V 0.168343 0.523068 78 (A2)--V 0.171113 0.413296 79 (A1)--V 0.177002 0.521399 80 (B1)--V 0.185400 0.743100 81 (A1)--V 0.191927 0.562141 82 (B2)--V 0.199739 0.570850 83 (A1)--V 0.201172 0.742802 84 (A1)--V 0.206517 0.680621 85 (B2)--V 0.212557 0.628105 86 (A1)--V 0.221505 0.641641 87 (A1)--V 0.228670 0.800708 88 (B2)--V 0.234433 0.576600 89 (B1)--V 0.234631 0.929889 90 (A1)--V 0.246962 0.646058 91 (B2)--V 0.249608 0.921609 92 (A1)--V 0.260796 0.946789 93 (B2)--V 0.270633 0.550041 94 (A1)--V 0.273629 0.563564 95 (B2)--V 0.279917 0.655675 96 (A1)--V 0.311274 1.096947 97 (A1)--V 0.321213 1.391559 98 (B2)--V 0.324228 1.373732 99 (A1)--V 0.334567 1.396781 100 (A2)--V 0.357407 1.544483 101 (B2)--V 0.370838 1.562930 102 (A1)--V 0.379855 1.440840 103 (A1)--V 0.413331 1.537107 104 (B1)--V 0.415219 1.750271 105 (B2)--V 0.437464 1.657539 106 (A1)--V 0.440224 1.381003 107 (A1)--V 0.453268 1.470811 108 (B2)--V 0.474456 1.648587 109 (B1)--V 0.480355 1.472399 110 (A1)--V 0.497122 1.990580 111 (B2)--V 0.511379 1.375112 112 (A1)--V 0.519377 1.660620 113 (B2)--V 0.519971 1.641110 114 (B1)--V 0.522201 1.375437 115 (A2)--V 0.532644 1.265673 116 (A1)--V 0.540656 1.776689 117 (B2)--V 0.555037 1.679025 118 (B1)--V 0.561273 1.521910 119 (B1)--V 0.581695 1.557482 120 (A1)--V 0.601239 1.738326 121 (A2)--V 0.603963 1.507394 122 (B1)--V 0.611437 1.832537 123 (B2)--V 0.619943 1.778737 124 (A1)--V 0.628837 1.695080 125 (A1)--V 0.646772 1.659920 126 (B2)--V 0.647908 1.706413 127 (A2)--V 0.650556 1.260725 128 (B1)--V 0.661800 1.623465 129 (A1)--V 0.684429 2.106680 130 (B1)--V 0.696451 1.472300 131 (B2)--V 0.696941 1.948005 132 (B2)--V 0.736426 1.723558 133 (A1)--V 0.738201 2.195348 134 (A2)--V 0.738883 1.364130 135 (B1)--V 0.738892 1.474059 136 (A1)--V 0.750773 1.850034 137 (A2)--V 0.769258 1.403304 138 (B2)--V 0.779865 2.240148 139 (A1)--V 0.785372 1.901208 140 (A1)--V 0.787645 1.907802 141 (B2)--V 0.806758 1.647727 142 (A1)--V 0.809630 2.030893 143 (B2)--V 0.815802 2.083902 144 (B1)--V 0.818054 1.562738 145 (A1)--V 0.827926 1.631223 146 (A2)--V 0.843015 1.553437 147 (A1)--V 0.849910 2.008068 148 (B2)--V 0.860269 1.872397 149 (A1)--V 0.918002 2.349035 150 (B1)--V 0.945360 1.620803 151 (A1)--V 0.978149 2.174936 152 (B2)--V 0.982738 1.610090 153 (B2)--V 1.039098 1.872905 154 (A1)--V 1.054353 2.970773 155 (A2)--V 1.121425 1.664705 156 (A1)--V 1.126024 2.200289 157 (B2)--V 1.137340 1.759800 158 (B1)--V 1.151871 1.722386 159 (A1)--V 1.224409 2.567756 160 (A2)--V 1.228114 1.876964 161 (A1)--V 1.235679 2.183979 162 (B1)--V 1.240875 1.896751 163 (A1)--V 1.312692 2.790035 164 (B1)--V 1.321178 2.009805 165 (B2)--V 1.329842 2.622618 166 (A1)--V 1.338407 2.402245 167 (B2)--V 1.354265 2.463473 168 (B2)--V 1.358670 2.275143 169 (A1)--V 1.358825 2.245528 170 (A1)--V 1.494263 2.447311 171 (B2)--V 1.517288 2.522347 172 (A1)--V 1.529196 2.982355 173 (B2)--V 1.555074 2.866112 174 (A1)--V 1.575550 2.351040 175 (B2)--V 1.587168 2.734479 176 (A2)--V 1.589041 2.077498 177 (B1)--V 1.657418 2.332448 178 (B2)--V 1.701524 2.809078 179 (A1)--V 1.735072 3.420544 180 (A2)--V 1.778256 2.598556 181 (A2)--V 1.837697 6.579809 182 (A1)--V 1.847346 6.552468 183 (B1)--V 1.880749 2.709427 184 (A1)--V 1.899460 3.268960 185 (B1)--V 1.936039 6.598115 186 (B2)--V 1.953485 6.352026 187 (A2)--V 1.988763 2.671715 188 (A1)--V 2.042520 6.608297 189 (B1)--V 2.045096 6.988669 190 (B2)--V 2.056686 6.083869 191 (B2)--V 2.076198 4.079865 192 (B1)--V 2.154939 2.951597 193 (A1)--V 2.166793 6.814647 194 (A1)--V 2.213318 4.100033 195 (A1)--V 2.324748 3.667022 196 (B2)--V 2.338358 4.449884 197 (B2)--V 2.454039 3.943809 198 (A1)--V 2.519423 4.208494 199 (B1)--V 2.642297 6.271488 200 (A1)--V 2.663574 3.926353 201 (B2)--V 2.663779 3.615015 202 (A1)--V 2.694862 4.238922 203 (B2)--V 2.742948 4.128713 204 (B2)--V 2.760280 4.045272 205 (A1)--V 2.761764 4.077155 206 (A2)--V 2.831410 6.291407 207 (B1)--V 2.839785 6.266304 208 (A1)--V 2.839853 4.437296 209 (A2)--V 2.840517 6.273969 210 (B1)--V 2.852888 6.309570 211 (B2)--V 2.958973 5.151006 212 (B2)--V 3.007026 5.294857 213 (A2)--V 3.064431 4.637776 214 (A1)--V 3.092680 5.122322 215 (B1)--V 3.102532 6.109032 216 (A1)--V 3.131053 5.209203 217 (B1)--V 3.155673 5.203574 218 (B2)--V 3.208501 5.873314 219 (B2)--V 3.217924 5.434495 220 (A1)--V 3.225017 5.601518 221 (B1)--V 3.294024 4.943368 222 (A2)--V 3.298704 4.916262 223 (A1)--V 3.306863 6.730872 224 (A2)--V 3.317244 4.943651 225 (B2)--V 3.360008 6.013141 226 (B1)--V 3.389266 5.093025 227 (A1)--V 3.389585 6.257851 228 (A1)--V 3.435553 8.639757 229 (B2)--V 3.444105 5.848588 230 (A1)--V 3.469947 7.896246 231 (A1)--V 3.535711 6.614328 232 (A2)--V 3.569234 5.301841 233 (B2)--V 3.571916 6.830038 234 (B1)--V 3.581250 5.306635 235 (A2)--V 3.597096 5.338617 236 (B1)--V 3.602854 5.352379 237 (A1)--V 3.618709 6.579114 238 (B1)--V 3.653193 5.318210 239 (A2)--V 3.742388 5.507974 240 (A1)--V 3.747678 6.338773 241 (B2)--V 3.747878 6.222163 242 (B2)--V 3.815806 6.087496 243 (A1)--V 3.828045 6.113388 244 (A1)--V 3.868387 6.135979 245 (B2)--V 3.876124 6.340378 246 (A1)--V 3.919308 6.314160 247 (B2)--V 3.933102 6.185172 248 (A1)--V 3.949862 5.972896 249 (B2)--V 3.981502 5.696747 250 (A1)--V 4.030979 5.857988 251 (A1)--V 4.440626 6.674881 252 (B2)--V 4.518398 6.773554 253 (A1)--V 4.617255 6.998639 254 (A1)--V 4.781088 7.564652 255 (B2)--V 4.820342 7.633124 256 (B2)--V 5.249334 8.237768 257 (B1)--V 5.764263 19.778018 258 (B2)--V 5.880516 19.836236 259 (A1)--V 6.131809 20.035053 260 (A2)--V 6.212817 20.533390 261 (A1)--V 6.218647 20.532498 262 (B1)--V 6.301180 20.566740 263 (B2)--V 6.326580 20.568454 264 (A1)--V 6.329521 21.399445 265 (A1)--V 6.879119 29.855623 266 (B1)--V 7.592245 31.013068 267 (B2)--V 7.597660 31.016098 268 (A1)--V 7.714905 31.119222 269 (A1)--V 23.628266 60.261198 270 (B2)--V 23.981453 60.342540 271 (A1)--V 23.986958 60.340301 272 (B2)--V 24.025276 60.402041 273 (A1)--V 24.082437 60.418078 274 (A1)--V 24.109659 60.365244 275 (A1)--V 48.095430 178.517889 276 (A1)--V 103.276502 269.483126 277 (B1)--V 289.807003 757.825332 278 (B2)--V 289.812244 757.829610 279 (A1)--V 289.930975 757.927569 280 (A1)--V 1020.925132 2598.687046 Total kinetic energy from orbitals= 3.001693706952D+03 ******************************Gaussian NBO Version 3.1****************************** 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 ******************************Gaussian NBO Version 3.1****************************** /RESON / : Allow strongly delocalized NBO set /AOPNAO / : Write the AO to PNAO transformation to LFN 32 /AOPNHO / : Write the AO to PNHO transformation to LFN 34 /AOPNBO / : Write the AO to PNBO transformation to LFN 36 /DMNAO / : Write the NAO density matrix to LFN 82 /DMNHO / : Write the NHO density matrix to LFN 84 /DMNBO / : Write the NBO density matrix to LFN 86 /FNAO / : Write the NAO Fock matrix to LFN 92 /FNHO / : Write the NHO Fock matrix to LFN 94 /FNBO / : Write the NBO Fock matrix to LFN 96 /FILE / : Set to NBODATA Analyzing the SCF density Job title: C6H5MgBr phenylmagnesium bromide Storage needed: 236644 in NPA, 314662 in NBO ( 104856651 available) GSVD: LWork= 26566 too small for GESVD, short by 75671 words or 75671 for optimal perf. NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ---------------------------------------------------------- 1 C 1 S Cor( 1S) 1.99912 -10.02873 2 C 1 S Val( 2S) 0.95298 -0.16662 3 C 1 S Ryd( 3S) 0.00122 1.06169 4 C 1 S Ryd( 4S) 0.00009 1.65774 5 C 1 S Ryd( 5S) 0.00001 20.91766 6 C 1 px Val( 2p) 0.99566 -0.10970 7 C 1 px Ryd( 4p) 0.00130 0.50592 8 C 1 px Ryd( 3p) 0.00035 0.31896 9 C 1 px Ryd( 5p) 0.00001 2.75134 10 C 1 py Val( 2p) 1.14357 -0.05618 11 C 1 py Ryd( 4p) 0.00737 0.93893 12 C 1 py Ryd( 3p) 0.00032 0.40841 13 C 1 py Ryd( 5p) 0.00011 3.39627 14 C 1 pz Val( 2p) 1.09818 -0.05536 15 C 1 pz Ryd( 4p) 0.00528 0.82212 16 C 1 pz Ryd( 3p) 0.00033 0.53962 17 C 1 pz Ryd( 5p) 0.00017 3.38477 18 C 1 dxy Ryd( 3d) 0.00028 1.47375 19 C 1 dxy Ryd( 4d) 0.00005 2.85468 20 C 1 dxz Ryd( 3d) 0.00023 1.52636 21 C 1 dxz Ryd( 4d) 0.00011 2.91277 22 C 1 dyz Ryd( 3d) 0.00074 2.15279 23 C 1 dyz Ryd( 4d) 0.00077 3.46675 24 C 1 dx2y2 Ryd( 3d) 0.00107 1.83299 25 C 1 dx2y2 Ryd( 4d) 0.00023 3.22959 26 C 1 dz2 Ryd( 3d) 0.00097 2.13496 27 C 1 dz2 Ryd( 4d) 0.00041 3.36381 28 C 2 S Cor( 1S) 1.99914 -10.03054 29 C 2 S Val( 2S) 0.95204 -0.16717 30 C 2 S Ryd( 3S) 0.00118 1.09237 31 C 2 S Ryd( 4S) 0.00009 1.75250 32 C 2 S Ryd( 5S) 0.00000 20.77625 33 C 2 px Val( 2p) 0.99211 -0.11061 34 C 2 px Ryd( 4p) 0.00152 0.51573 35 C 2 px Ryd( 3p) 0.00040 0.30490 36 C 2 px Ryd( 5p) 0.00002 2.74817 37 C 2 py Val( 2p) 1.06597 -0.05282 38 C 2 py Ryd( 4p) 0.00445 0.81507 39 C 2 py Ryd( 3p) 0.00043 0.49399 40 C 2 py Ryd( 5p) 0.00023 3.40107 41 C 2 pz Val( 2p) 1.17179 -0.05747 42 C 2 pz Ryd( 4p) 0.00684 1.09474 43 C 2 pz Ryd( 3p) 0.00032 0.31935 44 C 2 pz Ryd( 5p) 0.00004 3.40569 45 C 2 dxy Ryd( 3d) 0.00019 1.56102 46 C 2 dxy Ryd( 4d) 0.00012 2.92268 47 C 2 dxz Ryd( 3d) 0.00030 1.46038 48 C 2 dxz Ryd( 4d) 0.00004 2.81544 49 C 2 dyz Ryd( 3d) 0.00078 2.13433 50 C 2 dyz Ryd( 4d) 0.00036 3.41137 51 C 2 dx2y2 Ryd( 3d) 0.00118 2.14150 52 C 2 dx2y2 Ryd( 4d) 0.00019 3.26370 53 C 2 dz2 Ryd( 3d) 0.00080 1.91223 54 C 2 dz2 Ryd( 4d) 0.00083 3.37166 55 C 3 S Cor( 1S) 1.99912 -10.02873 56 C 3 S Val( 2S) 0.95298 -0.16662 57 C 3 S Ryd( 3S) 0.00122 1.06169 58 C 3 S Ryd( 4S) 0.00009 1.65774 59 C 3 S Ryd( 5S) 0.00001 20.91766 60 C 3 px Val( 2p) 0.99566 -0.10970 61 C 3 px Ryd( 4p) 0.00130 0.50592 62 C 3 px Ryd( 3p) 0.00035 0.31896 63 C 3 px Ryd( 5p) 0.00001 2.75134 64 C 3 py Val( 2p) 1.14357 -0.05618 65 C 3 py Ryd( 4p) 0.00737 0.93893 66 C 3 py Ryd( 3p) 0.00032 0.40841 67 C 3 py Ryd( 5p) 0.00011 3.39627 68 C 3 pz Val( 2p) 1.09818 -0.05536 69 C 3 pz Ryd( 4p) 0.00528 0.82212 70 C 3 pz Ryd( 3p) 0.00033 0.53962 71 C 3 pz Ryd( 5p) 0.00017 3.38477 72 C 3 dxy Ryd( 3d) 0.00028 1.47375 73 C 3 dxy Ryd( 4d) 0.00005 2.85468 74 C 3 dxz Ryd( 3d) 0.00023 1.52636 75 C 3 dxz Ryd( 4d) 0.00011 2.91277 76 C 3 dyz Ryd( 3d) 0.00074 2.15279 77 C 3 dyz Ryd( 4d) 0.00077 3.46675 78 C 3 dx2y2 Ryd( 3d) 0.00107 1.83299 79 C 3 dx2y2 Ryd( 4d) 0.00023 3.22959 80 C 3 dz2 Ryd( 3d) 0.00097 2.13496 81 C 3 dz2 Ryd( 4d) 0.00041 3.36381 82 C 4 S Cor( 1S) 1.99917 -10.03040 83 C 4 S Val( 2S) 0.95429 -0.17280 84 C 4 S Ryd( 3S) 0.00175 1.04593 85 C 4 S Ryd( 4S) 0.00006 2.87862 86 C 4 S Ryd( 5S) 0.00001 20.15628 87 C 4 px Val( 2p) 0.99978 -0.11127 88 C 4 px Ryd( 4p) 0.00125 0.49269 89 C 4 px Ryd( 3p) 0.00037 0.34146 90 C 4 px Ryd( 5p) 0.00002 2.74764 91 C 4 py Val( 2p) 1.15889 -0.06603 92 C 4 py Ryd( 4p) 0.00782 0.86261 93 C 4 py Ryd( 3p) 0.00034 0.40504 94 C 4 py Ryd( 5p) 0.00006 3.48782 95 C 4 pz Val( 2p) 1.09427 -0.06053 96 C 4 pz Ryd( 4p) 0.00672 0.68110 97 C 4 pz Ryd( 3p) 0.00033 0.48317 98 C 4 pz Ryd( 5p) 0.00029 3.49121 99 C 4 dxy Ryd( 3d) 0.00015 1.43234 100 C 4 dxy Ryd( 4d) 0.00015 2.87218 101 C 4 dxz Ryd( 3d) 0.00020 1.49773 102 C 4 dxz Ryd( 4d) 0.00012 2.92885 103 C 4 dyz Ryd( 3d) 0.00092 1.98285 104 C 4 dyz Ryd( 4d) 0.00069 3.43392 105 C 4 dx2y2 Ryd( 3d) 0.00145 1.70858 106 C 4 dx2y2 Ryd( 4d) 0.00018 3.19960 107 C 4 dz2 Ryd( 3d) 0.00116 2.11794 108 C 4 dz2 Ryd( 4d) 0.00048 3.44850 109 C 5 S Cor( 1S) 1.99913 -10.02055 110 C 5 S Val( 2S) 1.11999 -0.24149 111 C 5 S Ryd( 3S) 0.01350 0.62710 112 C 5 S Ryd( 4S) 0.00008 1.46414 113 C 5 S Ryd( 5S) 0.00000 22.88196 114 C 5 px Val( 2p) 0.99494 -0.11225 115 C 5 px Ryd( 3p) 0.00136 0.50779 116 C 5 px Ryd( 4p) 0.00021 0.74815 117 C 5 px Ryd( 5p) 0.00004 2.40178 118 C 5 py Val( 2p) 1.01085 -0.04367 119 C 5 py Ryd( 3p) 0.01066 0.58557 120 C 5 py Ryd( 4p) 0.00016 0.90257 121 C 5 py Ryd( 5p) 0.00013 3.30731 122 C 5 pz Val( 2p) 1.47989 -0.16091 123 C 5 pz Ryd( 3p) 0.01720 0.86309 124 C 5 pz Ryd( 4p) 0.00023 0.95093 125 C 5 pz Ryd( 5p) 0.00005 3.02585 126 C 5 dxy Ryd( 3d) 0.00008 1.09585 127 C 5 dxy Ryd( 4d) 0.00023 3.39017 128 C 5 dxz Ryd( 3d) 0.00020 0.95772 129 C 5 dxz Ryd( 4d) 0.00017 3.39850 130 C 5 dyz Ryd( 3d) 0.00133 1.43429 131 C 5 dyz Ryd( 4d) 0.00062 3.72908 132 C 5 dx2y2 Ryd( 3d) 0.00156 1.58462 133 C 5 dx2y2 Ryd( 4d) 0.00018 3.55013 134 C 5 dz2 Ryd( 3d) 0.00147 1.24054 135 C 5 dz2 Ryd( 4d) 0.00040 3.61778 136 C 6 S Cor( 1S) 1.99917 -10.03040 137 C 6 S Val( 2S) 0.95429 -0.17280 138 C 6 S Ryd( 3S) 0.00175 1.04593 139 C 6 S Ryd( 4S) 0.00006 2.87862 140 C 6 S Ryd( 5S) 0.00001 20.15628 141 C 6 px Val( 2p) 0.99978 -0.11127 142 C 6 px Ryd( 4p) 0.00125 0.49269 143 C 6 px Ryd( 3p) 0.00037 0.34146 144 C 6 px Ryd( 5p) 0.00002 2.74764 145 C 6 py Val( 2p) 1.15889 -0.06603 146 C 6 py Ryd( 4p) 0.00782 0.86261 147 C 6 py Ryd( 3p) 0.00034 0.40504 148 C 6 py Ryd( 5p) 0.00006 3.48782 149 C 6 pz Val( 2p) 1.09427 -0.06053 150 C 6 pz Ryd( 4p) 0.00672 0.68110 151 C 6 pz Ryd( 3p) 0.00033 0.48317 152 C 6 pz Ryd( 5p) 0.00029 3.49121 153 C 6 dxy Ryd( 3d) 0.00015 1.43234 154 C 6 dxy Ryd( 4d) 0.00015 2.87218 155 C 6 dxz Ryd( 3d) 0.00020 1.49773 156 C 6 dxz Ryd( 4d) 0.00012 2.92885 157 C 6 dyz Ryd( 3d) 0.00092 1.98285 158 C 6 dyz Ryd( 4d) 0.00069 3.43392 159 C 6 dx2y2 Ryd( 3d) 0.00145 1.70858 160 C 6 dx2y2 Ryd( 4d) 0.00018 3.19960 161 C 6 dz2 Ryd( 3d) 0.00116 2.11794 162 C 6 dz2 Ryd( 4d) 0.00048 3.44850 163 H 7 S Val( 1S) 0.81119 0.04103 164 H 7 S Ryd( 2S) 0.00053 1.01974 165 H 7 S Ryd( 3S) 0.00017 2.08072 166 H 7 px Ryd( 2p) 0.00022 1.89157 167 H 7 py Ryd( 2p) 0.00033 2.81965 168 H 7 pz Ryd( 2p) 0.00011 2.58604 169 Mg 8 S Cor( 1S) 2.00000 -46.35960 170 Mg 8 S Cor( 2S) 1.99920 -3.56897 171 Mg 8 S Val( 3S) 0.40085 -0.06784 172 Mg 8 S Ryd( 4S) 0.00078 0.48615 173 Mg 8 S Ryd( 6S) 0.00016 2.86582 174 Mg 8 S Ryd( 5S) 0.00003 2.76182 175 Mg 8 S Ryd( 7S) 0.00000 99.76491 176 Mg 8 px Cor( 2p) 1.99978 -1.87790 177 Mg 8 px Ryd( 3p) 0.01645 0.14393 178 Mg 8 px Ryd( 5p) 0.00051 0.51475 179 Mg 8 px Ryd( 4p) 0.00035 0.27830 180 Mg 8 px Ryd( 6p) 0.00001 0.97438 181 Mg 8 px Ryd( 7p) 0.00000 4.81636 182 Mg 8 py Cor( 2p) 1.99979 -1.87843 183 Mg 8 py Ryd( 3p) 0.01207 0.19859 184 Mg 8 py Ryd( 5p) 0.00043 0.62486 185 Mg 8 py Ryd( 4p) 0.00016 0.33110 186 Mg 8 py Ryd( 6p) 0.00001 0.99842 187 Mg 8 py Ryd( 7p) 0.00000 4.84261 188 Mg 8 pz Cor( 2p) 1.99954 -1.86508 189 Mg 8 pz Ryd( 4p) 0.01347 0.75466 190 Mg 8 pz Ryd( 5p) 0.00201 1.00672 191 Mg 8 pz Ryd( 3p) 0.00017 0.40289 192 Mg 8 pz Ryd( 6p) 0.00016 1.06454 193 Mg 8 pz Ryd( 7p) 0.00002 5.02152 194 Mg 8 dxy Ryd( 4d) 0.00011 0.51166 195 Mg 8 dxy Ryd( 3d) 0.00018 0.42830 196 Mg 8 dxz Ryd( 4d) 0.00314 0.80149 197 Mg 8 dxz Ryd( 3d) 0.00015 0.67743 198 Mg 8 dyz Ryd( 4d) 0.00157 1.02861 199 Mg 8 dyz Ryd( 3d) 0.00007 0.89144 200 Mg 8 dx2y2 Ryd( 4d) 0.00011 0.54849 201 Mg 8 dx2y2 Ryd( 3d) 0.00016 0.49146 202 Mg 8 dz2 Ryd( 4d) 0.00218 2.27332 203 Mg 8 dz2 Ryd( 3d) 0.00018 1.01119 204 Br 9 S Cor( 1S) 2.00000 -481.07160 205 Br 9 S Cor( 2S) 2.00000 -61.51551 206 Br 9 S Cor( 3S) 1.99995 -11.04259 207 Br 9 S Val( 4S) 1.97789 -0.97142 208 Br 9 S Ryd( 5S) 0.00039 0.34239 209 Br 9 S Ryd( 6S) 0.00004 1.11878 210 Br 9 S Ryd( 7S) 0.00000 17.92883 211 Br 9 S Ryd( 8S) 0.00000 96.49547 212 Br 9 S Ryd( 9S) 0.00000 960.68506 213 Br 9 px Cor( 2p) 2.00000 -40.39890 214 Br 9 px Cor( 3p) 1.99999 -22.33184 215 Br 9 px Val( 4p) 1.98260 -0.28734 216 Br 9 px Ryd( 6p) 0.00014 0.38191 217 Br 9 px Ryd( 5p) 0.00004 0.33015 218 Br 9 px Ryd( 7p) 0.00000 3.16393 219 Br 9 px Ryd( 8p) 0.00000 13.01768 220 Br 9 px Ryd( 9p) 0.00000 283.05700 221 Br 9 py Cor( 2p) 2.00000 -40.39893 222 Br 9 py Cor( 3p) 1.99999 -22.33189 223 Br 9 py Val( 4p) 1.98201 -0.28757 224 Br 9 py Ryd( 6p) 0.00011 0.38878 225 Br 9 py Ryd( 5p) 0.00000 0.33809 226 Br 9 py Ryd( 7p) 0.00000 3.17353 227 Br 9 py Ryd( 8p) 0.00000 13.01611 228 Br 9 py Ryd( 9p) 0.00000 283.05691 229 Br 9 pz Cor( 2p) 1.99999 -40.40049 230 Br 9 pz Cor( 3p) 1.99998 -22.33502 231 Br 9 pz Val( 4p) 1.83738 -0.31003 232 Br 9 pz Ryd( 6p) 0.00053 0.55768 233 Br 9 pz Ryd( 5p) 0.00007 0.41994 234 Br 9 pz Ryd( 7p) 0.00002 3.36622 235 Br 9 pz Ryd( 8p) 0.00000 13.02446 236 Br 9 pz Ryd( 9p) 0.00000 283.05660 237 Br 9 dxy Cor( 3d) 1.99999 -2.58947 238 Br 9 dxy Ryd( 4d) 0.00000 0.34676 239 Br 9 dxy Ryd( 5d) 0.00000 2.55025 240 Br 9 dxy Ryd( 6d) 0.00000 5.48797 241 Br 9 dxz Cor( 3d) 1.99996 -2.59265 242 Br 9 dxz Ryd( 4d) 0.00352 0.45759 243 Br 9 dxz Ryd( 5d) 0.00002 2.66907 244 Br 9 dxz Ryd( 6d) 0.00000 5.47205 245 Br 9 dyz Cor( 3d) 1.99996 -2.59270 246 Br 9 dyz Ryd( 4d) 0.00333 0.48686 247 Br 9 dyz Ryd( 5d) 0.00000 2.68629 248 Br 9 dyz Ryd( 6d) 0.00000 5.47039 249 Br 9 dx2y2 Cor( 3d) 1.99999 -2.58947 250 Br 9 dx2y2 Ryd( 4d) 0.00000 0.35095 251 Br 9 dx2y2 Ryd( 5d) 0.00000 2.55473 252 Br 9 dx2y2 Ryd( 6d) 0.00000 5.48779 253 Br 9 dz2 Cor( 3d) 1.99994 -2.59389 254 Br 9 dz2 Ryd( 4d) 0.00642 0.71793 255 Br 9 dz2 Ryd( 5d) 0.00002 2.73069 256 Br 9 dz2 Ryd( 6d) 0.00000 5.46042 257 H 10 S Val( 1S) 0.81119 0.04103 258 H 10 S Ryd( 2S) 0.00053 1.01974 259 H 10 S Ryd( 3S) 0.00017 2.08072 260 H 10 px Ryd( 2p) 0.00022 1.89157 261 H 10 py Ryd( 2p) 0.00033 2.81965 262 H 10 pz Ryd( 2p) 0.00011 2.58604 263 H 11 S Val( 1S) 0.79433 0.04626 264 H 11 S Ryd( 2S) 0.00056 1.04038 265 H 11 S Ryd( 3S) 0.00015 2.03132 266 H 11 px Ryd( 2p) 0.00020 1.91448 267 H 11 py Ryd( 2p) 0.00032 2.79425 268 H 11 pz Ryd( 2p) 0.00015 2.62716 269 H 12 S Val( 1S) 0.79435 0.04561 270 H 12 S Ryd( 2S) 0.00048 1.07745 271 H 12 S Ryd( 3S) 0.00017 1.94468 272 H 12 px Ryd( 2p) 0.00020 1.91379 273 H 12 py Ryd( 2p) 0.00005 2.54656 274 H 12 pz Ryd( 2p) 0.00042 2.87912 275 H 13 S Val( 1S) 0.79433 0.04626 276 H 13 S Ryd( 2S) 0.00056 1.04038 277 H 13 S Ryd( 3S) 0.00015 2.03132 278 H 13 px Ryd( 2p) 0.00020 1.91448 279 H 13 py Ryd( 2p) 0.00032 2.79425 280 H 13 pz Ryd( 2p) 0.00015 2.62716 WARNING: Population inversion found on atom C 1 Population inversion found on atom C 2 Population inversion found on atom C 3 Population inversion found on atom C 4 Population inversion found on atom C 5 Population inversion found on atom C 6 Population inversion found on atom Mg 8 Population inversion found on atom Br 9 Summary of Natural Population Analysis: Natural Population Natural ----------------------------------------------- Atom No Charge Core Valence Rydberg Total ----------------------------------------------------------------------- C 1 -0.21093 1.99912 4.19038 0.02142 6.21093 C 2 -0.20135 1.99914 4.18192 0.02029 6.20135 C 3 -0.21093 1.99912 4.19038 0.02142 6.21093 C 4 -0.23093 1.99917 4.20723 0.02453 6.23093 C 5 -0.65468 1.99913 4.60567 0.04988 6.65468 C 6 -0.23093 1.99917 4.20723 0.02453 6.23093 H 7 0.18746 0.00000 0.81119 0.00135 0.81254 Mg 8 1.54622 9.99831 0.40085 0.05463 10.45378 Br 9 -0.79429 27.99975 7.77987 0.01466 35.79429 H 10 0.18746 0.00000 0.81119 0.00135 0.81254 H 11 0.20428 0.00000 0.79433 0.00139 0.79572 H 12 0.20433 0.00000 0.79435 0.00132 0.79567 H 13 0.20428 0.00000 0.79433 0.00139 0.79572 ======================================================================= * Total * 0.00000 49.99291 37.76892 0.23817 88.00000 Natural Population -------------------------------------------------------- Core 49.99291 ( 99.9858% of 50) Valence 37.76892 ( 99.3919% of 38) Natural Minimal Basis 87.76183 ( 99.7294% of 88) Natural Rydberg Basis 0.23817 ( 0.2706% of 88) -------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- C 1 [core]2S( 0.95)2p( 3.24)4p( 0.01) C 2 [core]2S( 0.95)2p( 3.23)4p( 0.01) C 3 [core]2S( 0.95)2p( 3.24)4p( 0.01) C 4 [core]2S( 0.95)2p( 3.25)4p( 0.02) C 5 [core]2S( 1.12)2p( 3.49)3S( 0.01)3p( 0.03) C 6 [core]2S( 0.95)2p( 3.25)4p( 0.02) H 7 1S( 0.81) Mg 8 [core]3S( 0.40)3p( 0.03)4p( 0.01)4d( 0.01) Br 9 [core]4S( 1.98)4p( 5.80)4d( 0.01) H 10 1S( 0.81) H 11 1S( 0.79) H 12 1S( 0.79) H 13 1S( 0.79) NATURAL BOND ORBITAL ANALYSIS: Occupancies Lewis Structure Low High Occ. ------------------- ----------------- occ occ Cycle Thresh. Lewis Non-Lewis CR BD 3C LP (L) (NL) Dev ============================================================================= 1(1) 1.90 84.50005 3.49995 25 12 0 7 4 4 0.45 2(2) 1.90 84.50005 3.49995 25 12 0 7 4 4 0.45 3(1) 1.80 84.50005 3.49995 25 12 0 7 3 4 0.45 4(2) 1.80 84.50005 3.49995 25 12 0 7 3 4 0.45 5(1) 1.70 84.26788 3.73212 25 11 0 8 3 4 0.45 6(2) 1.70 84.26788 3.73212 25 11 0 8 3 4 0.45 7(1) 1.60 86.25618 1.74382 25 14 0 5 0 4 0.45 8(2) 1.60 86.25618 1.74382 25 14 0 5 0 4 0.45 9(1) 1.50 86.25618 1.74382 25 14 0 5 0 4 0.45 10(2) 1.50 86.25618 1.74382 25 14 0 5 0 4 0.45 11(1) 1.60 86.25618 1.74382 25 14 0 5 0 4 0.45 ----------------------------------------------------------------------------- Structure accepted: RESONANCE keyword permits strongly delocalized structure -------------------------------------------------------- Core 49.99291 ( 99.986% of 50) Valence Lewis 36.26326 ( 95.430% of 38) ================== ============================ Total Lewis 86.25618 ( 98.018% of 88) ----------------------------------------------------- Valence non-Lewis 1.59944 ( 1.818% of 88) Rydberg non-Lewis 0.14439 ( 0.164% of 88) ================== ============================ Total non-Lewis 1.74382 ( 1.982% of 88) -------------------------------------------------------- (Occupancy) Bond orbital/ Coefficients/ Hybrids --------------------------------------------------------------------------------- 1. (1.97917) BD ( 1) C 1 - C 2 ( 49.95%) 0.7068* C 1 s( 35.63%)p 1.80( 64.25%)d 0.00( 0.11%) 0.0001 0.5968 -0.0108 -0.0020 0.0003 0.0000 0.0000 0.0000 0.0000 0.6754 0.0039 0.0130 0.0027 -0.4291 0.0459 -0.0008 0.0009 0.0000 0.0000 0.0000 0.0000 -0.0139 -0.0096 -0.0283 0.0028 0.0018 -0.0058 ( 50.05%) 0.7074* C 2 s( 35.78%)p 1.79( 64.11%)d 0.00( 0.11%) 0.0000 0.5981 -0.0113 -0.0008 0.0001 0.0000 0.0000 0.0000 0.0000 -0.7058 0.0368 -0.0082 -0.0005 0.3752 0.0243 0.0112 0.0018 0.0000 0.0000 0.0000 0.0000 -0.0178 -0.0078 -0.0235 0.0010 0.0086 -0.0082 2. (1.97974) BD ( 1) C 1 - C 6 ( 50.22%) 0.7087* C 1 s( 36.09%)p 1.77( 63.82%)d 0.00( 0.10%) 0.0000 0.6006 -0.0102 0.0001 0.0003 0.0000 0.0000 0.0000 0.0000 -0.0240 0.0405 0.0052 0.0011 0.7972 -0.0186 0.0104 0.0010 0.0000 0.0000 0.0000 0.0000 0.0053 -0.0010 -0.0117 0.0085 0.0268 0.0068 ( 49.78%) 0.7056* C 6 s( 35.91%)p 1.78( 63.99%)d 0.00( 0.11%) 0.0000 0.5992 -0.0041 -0.0023 0.0009 0.0000 0.0000 0.0000 0.0000 -0.0192 0.0378 0.0053 0.0016 -0.7984 0.0208 -0.0106 -0.0019 0.0000 0.0000 0.0000 0.0000 -0.0035 0.0015 -0.0081 0.0063 0.0305 0.0053 3. (1.66716) BD ( 2) C 1 - C 6 ( 49.85%) 0.7061* C 1 s( 0.00%)p 1.00( 99.98%)d 0.00( 0.02%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.9996 0.0154 -0.0150 0.0014 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0087 0.0014 0.0114 0.0064 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 ( 50.15%) 0.7082* C 6 s( 0.00%)p 1.00( 99.98%)d 0.00( 0.02%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.9996 0.0176 -0.0177 0.0023 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0061 0.0021 -0.0117 -0.0064 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 4. (1.97808) BD ( 1) C 1 - H 13 ( 60.27%) 0.7764* C 1 s( 28.15%)p 2.55( 71.80%)d 0.00( 0.05%) 0.0005 -0.5303 -0.0167 -0.0014 0.0005 0.0000 0.0000 0.0000 0.0000 0.7351 0.0139 -0.0002 -0.0017 0.4210 0.0104 -0.0011 -0.0010 0.0000 0.0000 0.0000 0.0000 -0.0139 -0.0092 0.0110 0.0056 0.0060 0.0011 ( 39.73%) 0.6303* H 13 s( 99.96%)p 0.00( 0.04%) -0.9998 0.0007 -0.0008 0.0000 -0.0177 -0.0104 5. (1.97917) BD ( 1) C 2 - C 3 ( 50.05%) 0.7074* C 2 s( 35.78%)p 1.79( 64.11%)d 0.00( 0.11%) 0.0000 0.5981 -0.0113 -0.0008 0.0001 0.0000 0.0000 0.0000 0.0000 0.7058 -0.0368 0.0082 0.0005 0.3752 0.0243 0.0112 0.0018 0.0000 0.0000 0.0000 0.0000 0.0178 0.0078 -0.0235 0.0010 0.0086 -0.0082 ( 49.95%) 0.7068* C 3 s( 35.63%)p 1.80( 64.25%)d 0.00( 0.11%) 0.0001 0.5968 -0.0108 -0.0020 0.0003 0.0000 0.0000 0.0000 0.0000 -0.6754 -0.0039 -0.0130 -0.0027 -0.4291 0.0459 -0.0008 0.0009 0.0000 0.0000 0.0000 0.0000 0.0139 0.0096 -0.0283 0.0028 0.0018 -0.0058 6. (1.65873) BD ( 2) C 2 - C 3 ( 49.87%) 0.7062* C 2 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.9995 0.0194 -0.0165 0.0018 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0059 0.0047 0.0147 0.0034 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 ( 50.13%) 0.7080* C 3 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.9996 0.0188 -0.0161 0.0015 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0156 -0.0052 0.0012 -0.0017 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 7. (1.97941) BD ( 1) C 2 - H 12 ( 60.29%) 0.7765* C 2 s( 28.32%)p 2.53( 71.63%)d 0.00( 0.05%) 0.0004 -0.5318 -0.0188 -0.0011 0.0002 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.8462 0.0153 -0.0021 -0.0024 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0031 -0.0010 -0.0187 -0.0102 ( 39.71%) 0.6301* H 12 s( 99.96%)p 0.00( 0.04%) -0.9998 -0.0007 -0.0009 0.0000 -0.0000 -0.0208 8. (1.97974) BD ( 1) C 3 - C 4 ( 50.22%) 0.7087* C 3 s( 36.09%)p 1.77( 63.82%)d 0.00( 0.10%) 0.0000 0.6006 -0.0102 0.0001 0.0003 0.0000 0.0000 0.0000 0.0000 0.0240 -0.0405 -0.0052 -0.0011 0.7972 -0.0186 0.0104 0.0010 0.0000 0.0000 0.0000 0.0000 -0.0053 0.0010 -0.0117 0.0085 0.0268 0.0068 ( 49.78%) 0.7056* C 4 s( 35.91%)p 1.78( 63.99%)d 0.00( 0.11%) 0.0000 0.5992 -0.0041 -0.0023 0.0009 0.0000 0.0000 0.0000 0.0000 0.0192 -0.0378 -0.0053 -0.0016 -0.7984 0.0208 -0.0106 -0.0019 0.0000 0.0000 0.0000 0.0000 0.0035 -0.0015 -0.0081 0.0063 0.0305 0.0053 9. (1.97808) BD ( 1) C 3 - H 11 ( 60.27%) 0.7764* C 3 s( 28.15%)p 2.55( 71.80%)d 0.00( 0.05%) -0.0005 0.5303 0.0167 0.0014 -0.0005 0.0000 0.0000 0.0000 0.0000 0.7351 0.0139 -0.0002 -0.0017 -0.4210 -0.0104 0.0011 0.0010 0.0000 0.0000 0.0000 0.0000 -0.0139 -0.0092 -0.0110 -0.0056 -0.0060 -0.0011 ( 39.73%) 0.6303* H 11 s( 99.96%)p 0.00( 0.04%) 0.9998 -0.0007 0.0008 0.0000 -0.0177 0.0104 10. (1.97871) BD ( 1) C 4 - C 5 ( 51.70%) 0.7190* C 4 s( 37.30%)p 1.68( 62.58%)d 0.00( 0.13%) 0.0001 0.6104 -0.0180 0.0009 0.0002 0.0000 0.0000 0.0000 0.0000 -0.6539 -0.0088 -0.0129 0.0006 0.4421 -0.0499 0.0012 -0.0017 0.0000 0.0000 0.0000 0.0000 -0.0134 -0.0094 -0.0309 0.0059 0.0023 -0.0042 ( 48.30%) 0.6950* C 5 s( 37.03%)p 1.70( 62.82%)d 0.00( 0.16%) -0.0001 0.6062 -0.0525 0.0008 0.0001 0.0000 0.0000 0.0000 0.0000 0.7036 -0.0659 0.0024 -0.0008 -0.3588 0.0055 0.0006 -0.0005 0.0000 0.0000 0.0000 0.0000 -0.0188 -0.0143 -0.0256 -0.0053 0.0171 -0.0049 11. (1.65994) BD ( 2) C 4 - C 5 ( 50.19%) 0.7084* C 4 s( 0.00%)p 1.00( 99.98%)d 0.00( 0.02%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.9998 0.0072 -0.0160 0.0020 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0076 -0.0100 -0.0020 0.0023 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 ( 49.81%) 0.7058* C 5 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.9996 -0.0186 -0.0124 0.0017 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0038 0.0065 -0.0065 -0.0125 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 12. (1.97903) BD ( 1) C 4 - H 10 ( 59.57%) 0.7718* C 4 s( 26.70%)p 2.74( 73.24%)d 0.00( 0.06%) -0.0005 0.5162 0.0214 0.0011 -0.0010 0.0000 0.0000 0.0000 0.0000 0.7537 0.0221 0.0000 -0.0009 0.4046 0.0109 0.0007 0.0007 0.0000 0.0000 0.0000 0.0000 0.0196 0.0055 -0.0101 -0.0070 -0.0031 -0.0056 ( 40.43%) 0.6359* H 10 s( 99.96%)p 0.00( 0.04%) 0.9998 -0.0011 0.0003 0.0000 -0.0178 -0.0075 13. (1.97871) BD ( 1) C 5 - C 6 ( 48.30%) 0.6950* C 5 s( 37.03%)p 1.70( 62.82%)d 0.00( 0.16%) -0.0001 0.6062 -0.0525 0.0008 0.0001 0.0000 0.0000 0.0000 0.0000 -0.7036 0.0659 -0.0024 0.0008 -0.3588 0.0055 0.0006 -0.0005 0.0000 0.0000 0.0000 0.0000 0.0188 0.0143 -0.0256 -0.0053 0.0171 -0.0049 ( 51.70%) 0.7190* C 6 s( 37.30%)p 1.68( 62.58%)d 0.00( 0.13%) 0.0001 0.6104 -0.0180 0.0009 0.0002 0.0000 0.0000 0.0000 0.0000 0.6539 0.0088 0.0129 -0.0006 0.4421 -0.0499 0.0012 -0.0017 0.0000 0.0000 0.0000 0.0000 0.0134 0.0094 -0.0309 0.0059 0.0023 -0.0042 14. (1.97903) BD ( 1) C 6 - H 7 ( 59.57%) 0.7718* C 6 s( 26.70%)p 2.74( 73.24%)d 0.00( 0.06%) 0.0005 -0.5162 -0.0214 -0.0011 0.0010 0.0000 0.0000 0.0000 0.0000 0.7537 0.0221 0.0000 -0.0009 -0.4046 -0.0109 -0.0007 -0.0007 0.0000 0.0000 0.0000 0.0000 0.0196 0.0055 0.0101 0.0070 0.0031 0.0056 ( 40.43%) 0.6359* H 7 s( 99.96%)p 0.00( 0.04%) -0.9998 0.0011 -0.0003 0.0000 -0.0178 0.0075 15. (1.99912) CR ( 1) C 1 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0004 -0.0000 -0.0000 0.0000 -0.0002 -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. (1.99915) CR ( 1) C 2 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0004 -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. (1.99912) CR ( 1) C 3 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0004 0.0000 0.0000 -0.0000 -0.0002 -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. (1.99917) CR ( 1) C 4 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0004 0.0000 0.0000 -0.0000 0.0002 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. (1.99912) CR ( 1) C 5 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0004 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0009 -0.0001 -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. (1.99917) CR ( 1) C 6 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0004 -0.0000 -0.0000 0.0000 0.0002 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. (2.00000) CR ( 1)Mg 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 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 22. (1.99920) CR ( 2)Mg 8 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 0.0000 0.0000 0.0000 0.0000 0.0000 23. (1.99978) CR ( 3)Mg 8 s( 0.00%)p 1.00(100.00%) 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 24. (1.99979) CR ( 4)Mg 8 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 0.0000 0.0000 0.0000 0.0000 0.0000 25. (1.99954) CR ( 5)Mg 8 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 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 26. (2.00000) CR ( 1)Br 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 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 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 27. (2.00000) CR ( 2)Br 9 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 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 28. (1.99995) CR ( 3)Br 9 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 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 29. (2.00000) CR ( 4)Br 9 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 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 30. (1.99999) CR ( 5)Br 9 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 1.0000 -0.0001 -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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 31. (2.00000) CR ( 6)Br 9 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 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 32. (1.99999) CR ( 7)Br 9 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 0.0000 1.0000 -0.0001 -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 0.0000 0.0000 0.0000 0.0000 33. (1.99999) CR ( 8)Br 9 s( 0.00%)p 1.00(100.00%) 0.0000 -0.0000 -0.0000 0.0001 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 -0.0001 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 34. (1.99998) CR ( 9)Br 9 s( 0.00%)p 1.00(100.00%) -0.0000 0.0000 0.0000 -0.0001 -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 0.0002 -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 35. (1.99999) CR (10)Br 9 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 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 36. (1.99996) CR (11)Br 9 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 0.0001 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 37. (1.99996) CR (12)Br 9 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 0.0001 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 0.0000 0.0000 0.0000 0.0000 38. (1.99999) CR (13)Br 9 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 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 39. (1.99994) CR (14)Br 9 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 -0.0000 -0.0000 0.0001 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 -0.0003 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 40. (1.71452) LP ( 1) C 5 s( 26.40%)p 2.79( 73.56%)d 0.00( 0.05%) 0.0010 0.5098 0.0635 -0.0015 -0.0001 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.8544 0.0739 0.0078 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0028 0.0059 0.0193 -0.0061 41. (0.40368) LP*( 1)Mg 8 s( 99.28%)p 0.00( 0.31%)d 0.00( 0.41%) 0.0000 0.0000 0.9964 -0.0005 -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 0.0435 0.0268 -0.0164 0.0133 0.0035 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0043 -0.0069 0.0614 0.0159 42. (1.99949) LP ( 1)Br 9 s( 88.07%)p 0.14( 11.93%)d 0.00( 0.00%) -0.0000 -0.0000 -0.0000 0.9384 -0.0035 -0.0007 0.0001 -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 0.3454 -0.0038 -0.0021 0.0029 0.0003 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 -0.0001 -0.0000 -0.0000 -0.0000 -0.0044 0.0015 -0.0001 43. (1.98621) LP ( 2)Br 9 s( 0.00%)p 1.00( 99.82%)d 0.00( 0.18%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0001 0.9991 0.0077 0.0004 0.0002 -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 -0.0001 -0.0419 0.0013 0.0004 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 44. (1.98544) LP ( 3)Br 9 s( 0.00%)p 1.00( 99.83%)d 0.00( 0.17%) 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 0.0001 0.9991 0.0073 -0.0010 -0.0004 -0.0001 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 -0.0001 -0.0409 0.0009 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 45. (1.82289) LP ( 4)Br 9 s( 11.92%)p 7.36( 87.74%)d 0.03( 0.35%) 0.0000 -0.0000 -0.0000 0.3450 0.0105 0.0022 -0.0002 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 -0.0001 0.0002 -0.9365 0.0159 -0.0016 0.0009 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 -0.0001 0.0000 0.0000 -0.0003 0.0588 0.0019 0.0005 46. (0.00768) RY*( 1) C 1 s( 1.69%)p53.57( 90.42%)d 4.68( 7.89%) 0.0000 -0.0205 0.1197 -0.0459 0.0034 0.0000 0.0000 0.0000 0.0000 -0.0269 0.8396 0.0444 0.0310 -0.0167 0.4398 0.0354 0.0234 0.0000 0.0000 0.0000 0.0000 0.0473 -0.2278 0.0178 0.0537 -0.0688 0.1300 47. (0.00215) RY*( 2) C 1 s( 0.02%)p99.99( 99.72%)d10.87( 0.26%) -0.0000 0.0006 0.0086 0.0120 -0.0045 -0.0000 -0.0000 -0.0000 -0.0000 0.0274 0.4440 0.0633 -0.1387 -0.0402 -0.8468 -0.1185 0.2081 -0.0000 -0.0000 -0.0000 -0.0000 -0.0148 0.0201 -0.0186 0.0134 -0.0315 0.0215 48. (0.00116) RY*( 3) C 1 s( 0.00%)p 1.00( 83.45%)d 0.20( 16.55%) 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0123 0.8736 -0.2513 0.0897 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.2174 0.1469 -0.3096 0.0284 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 49. (0.00097) RY*( 4) C 1 s( 55.02%)p 0.06( 3.51%)d 0.75( 41.47%) -0.0000 0.0108 0.7413 -0.0114 0.0208 0.0000 0.0000 0.0000 0.0000 0.0124 0.0455 -0.0350 -0.1170 0.0087 0.0355 -0.0858 -0.0963 0.0000 0.0000 0.0000 0.0000 -0.3939 0.3531 0.2316 -0.2293 0.0957 -0.1398 50. (0.00063) RY*( 5) C 1 s( 1.62%)p24.46( 39.68%)d36.18( 58.70%) -0.0000 0.0022 0.0272 0.1225 -0.0217 0.0000 0.0000 0.0000 0.0000 0.0051 -0.0279 -0.3387 -0.2118 -0.0003 0.0278 0.4396 0.2057 0.0000 0.0000 0.0000 0.0000 -0.1821 0.3363 -0.1129 0.2650 -0.2846 0.5261 51. (0.00037) RY*( 6) C 1 s( 0.00%)p 1.00( 0.73%)d99.99( 99.27%) 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0066 0.0795 -0.0131 0.0273 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.5460 -0.2046 0.5811 0.5613 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 52. (0.00016) RY*( 7) C 1 s( 14.09%)p 2.51( 35.31%)d 3.59( 50.60%) 0.0000 -0.0197 -0.0260 0.3691 0.0600 0.0000 0.0000 0.0000 0.0000 -0.0156 0.0253 0.3756 0.0385 -0.0162 -0.0520 0.4488 -0.0727 0.0000 0.0000 0.0000 0.0000 -0.3844 -0.1752 -0.1863 0.1027 0.5312 0.0075 53. (0.00010) RY*( 8) C 1 s( 34.06%)p 0.54( 18.24%)d 1.40( 47.70%) -0.0000 0.0091 0.4571 0.3627 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0197 -0.1536 0.0095 -0.0193 0.0097 -0.1669 0.1209 -0.3397 0.0000 0.0000 0.0000 0.0000 0.2985 -0.4918 -0.0258 -0.0278 -0.3436 0.1629 54. (0.00007) RY*( 9) C 1 s( 30.46%)p 1.21( 36.81%)d 1.07( 32.73%) 55. (0.00007) RY*(10) C 1 s( 4.52%)p16.91( 76.42%)d 4.22( 19.06%) 56. (0.00002) RY*(11) C 1 s( 9.79%)p 3.59( 35.14%)d 5.62( 55.07%) 57. (0.00003) RY*(12) C 1 s( 22.01%)p 0.93( 20.38%)d 2.62( 57.61%) 58. (0.00000) RY*(13) C 1 s( 0.00%)p 1.00( 9.78%)d 9.23( 90.22%) 59. (0.00000) RY*(14) C 1 s( 0.00%)p 1.00( 5.50%)d17.19( 94.50%) 60. (0.00000) RY*(15) C 1 s( 94.62%)p 0.01( 1.15%)d 0.04( 4.23%) 61. (0.00000) RY*(16) C 1 s( 0.00%)p 1.00( 0.76%)d99.99( 99.24%) 62. (0.00001) RY*(17) C 1 s( 10.05%)p 3.31( 33.23%)d 5.64( 56.72%) 63. (0.00000) RY*(18) C 1 s( 3.76%)p23.50( 88.35%)d 2.10( 7.89%) 64. (0.00001) RY*(19) C 1 s( 18.12%)p 0.29( 5.24%)d 4.23( 76.64%) 65. (0.00000) RY*(20) C 1 s( 0.30%)p55.17( 16.53%)d99.99( 83.17%) 66. (0.00000) RY*(21) C 1 s( 0.00%)p 1.00( 99.99%)d 0.00( 0.01%) 67. (0.00000) RY*(22) C 1 s( 0.00%)p 1.00( 99.82%)d 0.00( 0.18%) 68. (0.00661) RY*( 1) C 2 s( 0.67%)p99.99( 89.10%)d15.21( 10.22%) 0.0000 -0.0216 0.0677 -0.0406 0.0041 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0306 0.9371 0.0999 0.0451 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0603 -0.1565 0.0582 -0.2659 69. (0.00215) RY*( 2) C 2 s( 0.00%)p 1.00( 99.80%)d 0.00( 0.20%) -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0478 0.9554 0.1361 -0.2538 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0365 -0.0268 0.0000 -0.0000 0.0000 0.0000 70. (0.00123) RY*( 3) C 2 s( 0.00%)p 1.00( 87.64%)d 0.14( 12.36%) 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0171 0.8938 -0.2578 0.1033 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0336 -0.0264 -0.3245 0.1285 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 71. (0.00085) RY*( 4) C 2 s( 52.07%)p 0.05( 2.67%)d 0.87( 45.26%) -0.0000 0.0127 0.7182 -0.0681 0.0131 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0146 0.1194 -0.0830 -0.0731 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0457 0.0482 -0.5259 0.4142 72. (0.00057) RY*( 5) C 2 s( 0.00%)p 1.00( 50.45%)d 0.98( 49.55%) 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0060 0.0266 0.6296 0.3276 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.2855 0.6434 0.0000 -0.0000 0.0000 -0.0000 73. (0.00037) RY*( 6) C 2 s( 0.00%)p 1.00( 0.17%)d99.99( 99.83%) 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0083 0.0381 -0.0109 0.0044 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.7859 0.6168 -0.0140 0.0055 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 74. (0.00013) RY*( 7) C 2 s( 61.19%)p 0.20( 12.04%)d 0.44( 26.77%) -0.0000 -0.0019 0.4713 0.6236 -0.0309 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0116 -0.1772 0.1455 -0.2601 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0365 -0.2373 0.1872 -0.4183 75. (0.00011) RY*( 8) C 2 s( 5.53%)p 2.17( 12.01%)d14.91( 82.46%) -0.0000 0.0251 0.1766 -0.1356 0.0713 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0288 -0.0795 -0.3327 0.0481 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.8408 -0.2452 0.2343 0.0508 76. (0.00006) RY*( 9) C 2 s( 0.00%)p 1.00( 70.50%)d 0.42( 29.50%) 77. (0.00005) RY*(10) C 2 s( 46.83%)p 0.48( 22.49%)d 0.66( 30.68%) 78. (0.00003) RY*(11) C 2 s( 0.00%)p 1.00( 22.59%)d 3.43( 77.41%) 79. (0.00000) RY*(12) C 2 s( 6.18%)p14.95( 92.46%)d 0.22( 1.35%) 80. (0.00000) RY*(13) C 2 s( 97.01%)p 0.01( 1.15%)d 0.02( 1.84%) 81. (0.00000) RY*(14) C 2 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 82. (0.00000) RY*(15) C 2 s( 0.00%)p 1.00( 10.87%)d 8.20( 89.13%) 83. (0.00000) RY*(16) C 2 s( 0.00%)p 1.00( 1.49%)d66.00( 98.51%) 84. (0.00000) RY*(17) C 2 s( 0.00%)p 1.00(100.00%)d 0.00( 0.00%) 85. (0.00001) RY*(18) C 2 s( 0.00%)p 1.00( 56.74%)d 0.76( 43.26%) 86. (0.00000) RY*(19) C 2 s( 0.00%)p 1.00( 99.87%)d 0.00( 0.13%) 87. (0.00000) RY*(20) C 2 s( 12.43%)p 0.22( 2.72%)d 6.82( 84.85%) 88. (0.00000) RY*(21) C 2 s( 5.19%)p11.79( 61.27%)d 6.46( 33.53%) 89. (0.00000) RY*(22) C 2 s( 13.00%)p 0.32( 4.14%)d 6.37( 82.86%) 90. (0.00768) RY*( 1) C 3 s( 1.69%)p53.57( 90.42%)d 4.68( 7.89%) 0.0000 -0.0205 0.1197 -0.0459 0.0034 -0.0000 -0.0000 -0.0000 -0.0000 0.0269 -0.8396 -0.0444 -0.0310 -0.0167 0.4398 0.0354 0.0234 -0.0000 -0.0000 -0.0000 -0.0000 -0.0473 0.2278 0.0178 0.0537 -0.0688 0.1300 91. (0.00215) RY*( 2) C 3 s( 0.02%)p99.99( 99.72%)d10.87( 0.26%) -0.0000 0.0006 0.0086 0.0120 -0.0045 -0.0000 -0.0000 -0.0000 -0.0000 -0.0274 -0.4440 -0.0633 0.1387 -0.0402 -0.8468 -0.1185 0.2081 -0.0000 -0.0000 -0.0000 -0.0000 0.0148 -0.0201 -0.0186 0.0134 -0.0315 0.0215 92. (0.00112) RY*( 3) C 3 s( 0.00%)p 1.00( 84.13%)d 0.19( 15.87%) 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0168 0.8771 -0.2514 0.0918 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2647 -0.1283 -0.2573 0.0777 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 93. (0.00097) RY*( 4) C 3 s( 55.02%)p 0.06( 3.51%)d 0.75( 41.47%) -0.0000 0.0108 0.7413 -0.0114 0.0208 0.0000 0.0000 0.0000 0.0000 -0.0124 -0.0455 0.0350 0.1170 0.0087 0.0355 -0.0858 -0.0963 0.0000 0.0000 0.0000 0.0000 0.3939 -0.3531 0.2316 -0.2293 0.0957 -0.1398 94. (0.00063) RY*( 5) C 3 s( 1.62%)p24.46( 39.68%)d36.18( 58.70%) -0.0000 0.0022 0.0272 0.1225 -0.0217 0.0000 0.0000 0.0000 0.0000 -0.0051 0.0279 0.3387 0.2118 -0.0003 0.0278 0.4396 0.2057 0.0000 0.0000 0.0000 0.0000 0.1821 -0.3363 -0.1129 0.2650 -0.2846 0.5261 95. (0.00038) RY*( 6) C 3 s( 0.00%)p 1.00( 0.06%)d99.99( 99.94%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0096 0.0026 0.0090 0.0193 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.5246 0.2167 0.6062 0.5566 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 96. (0.00016) RY*( 7) C 3 s( 14.09%)p 2.51( 35.31%)d 3.59( 50.60%) 0.0000 -0.0197 -0.0260 0.3691 0.0600 0.0000 0.0000 0.0000 0.0000 0.0156 -0.0253 -0.3756 -0.0385 -0.0162 -0.0520 0.4488 -0.0727 0.0000 0.0000 0.0000 0.0000 0.3844 0.1752 -0.1863 0.1027 0.5312 0.0075 97. (0.00010) RY*( 8) C 3 s( 34.06%)p 0.54( 18.24%)d 1.40( 47.70%) -0.0000 0.0091 0.4571 0.3627 -0.0002 -0.0000 -0.0000 -0.0000 -0.0000 -0.0197 0.1536 -0.0095 0.0193 0.0097 -0.1669 0.1209 -0.3397 -0.0000 -0.0000 -0.0000 -0.0000 -0.2985 0.4918 -0.0258 -0.0278 -0.3436 0.1629 98. (0.00007) RY*( 9) C 3 s( 19.76%)p 3.36( 66.33%)d 0.70( 13.91%) 99. (0.00007) RY*(10) C 3 s( 15.21%)p 3.08( 46.91%)d 2.49( 37.88%) 100. (0.00003) RY*(11) C 3 s( 20.50%)p 0.88( 18.13%)d 2.99( 61.37%) 101. (0.00002) RY*(12) C 3 s( 7.68%)p 7.06( 54.19%)d 4.97( 38.13%) 102. (0.00000) RY*(13) C 3 s( 0.00%)p 1.00( 10.49%)d 8.54( 89.51%) 103. (0.00000) RY*(14) C 3 s( 0.00%)p 1.00( 4.81%)d19.79( 95.19%) 104. (0.00000) RY*(15) C 3 s( 91.70%)p 0.02( 1.67%)d 0.07( 6.64%) 105. (0.00000) RY*(16) C 3 s( 0.00%)p 1.00( 0.74%)d99.99( 99.26%) 106. (0.00000) RY*(17) C 3 s( 0.00%)p 1.00( 99.99%)d 0.00( 0.01%) 107. (0.00000) RY*(18) C 3 s( 3.05%)p29.54( 90.20%)d 2.21( 6.75%) 108. (0.00000) RY*(19) C 3 s( 0.00%)p 1.00( 99.81%)d 0.00( 0.19%) 109. (0.00000) RY*(20) C 3 s( 0.36%)p25.07( 9.08%)d99.99( 90.56%) 110. (0.00001) RY*(21) C 3 s( 20.61%)p 0.25( 5.05%)d 3.61( 74.33%) 111. (0.00001) RY*(22) C 3 s( 14.75%)p 1.47( 21.70%)d 4.31( 63.55%) 112. (0.00860) RY*( 1) C 4 s( 3.25%)p27.44( 89.06%)d 2.37( 7.69%) 0.0000 -0.0169 0.1766 -0.0267 0.0162 -0.0000 -0.0000 -0.0000 -0.0000 0.0322 -0.8351 -0.0488 -0.0300 0.0178 -0.4275 -0.0342 -0.0676 -0.0000 -0.0000 -0.0000 -0.0000 -0.0015 -0.1985 0.1322 0.0067 0.0296 0.1383 113. (0.00317) RY*( 2) C 4 s( 1.92%)p49.24( 94.30%)d 1.98( 3.78%) -0.0000 0.0090 0.1375 0.0083 0.0100 0.0000 0.0000 0.0000 0.0000 -0.0311 -0.3797 0.0213 0.0928 0.0438 0.8539 0.0073 -0.2404 0.0000 0.0000 0.0000 0.0000 -0.0784 0.0839 0.1047 -0.0269 -0.0208 0.1119 114. (0.00131) RY*( 3) C 4 s( 0.00%)p 1.00( 86.57%)d 0.16( 13.43%) 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0070 0.9023 -0.2052 0.0971 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2977 0.0241 -0.0228 -0.2112 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 115. (0.00103) RY*( 4) C 4 s( 29.60%)p 0.71( 20.95%)d 1.67( 49.45%) -0.0000 0.0164 0.5431 0.0205 0.0192 0.0000 0.0000 0.0000 0.0000 -0.0148 0.1943 0.2434 0.0328 -0.0050 -0.1676 -0.2860 -0.0361 0.0000 0.0000 0.0000 0.0000 -0.3719 0.4134 0.3448 -0.1076 0.0654 0.2248 116. (0.00057) RY*( 5) C 4 s( 17.75%)p 1.82( 32.32%)d 2.81( 49.93%) -0.0000 -0.0051 0.4072 0.1068 0.0168 -0.0000 -0.0000 -0.0000 -0.0000 -0.0085 -0.0195 -0.2308 0.1219 0.0010 0.0453 0.4318 0.2572 -0.0000 -0.0000 -0.0000 -0.0000 -0.1408 -0.0628 0.0398 -0.1841 0.4226 -0.5113 117. (0.00039) RY*( 6) C 4 s( 0.00%)p 1.00( 1.13%)d87.49( 98.87%) 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0054 0.0628 -0.0570 0.0639 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.1577 -0.5510 0.6838 0.4390 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 118. (0.00017) RY*( 7) C 4 s( 28.77%)p 0.27( 7.65%)d 2.21( 63.58%) 0.0000 0.0014 -0.2862 0.4519 0.0396 -0.0000 -0.0000 -0.0000 -0.0000 0.0050 0.1046 0.1889 -0.0959 0.0183 0.0473 -0.0996 -0.0900 -0.0000 -0.0000 -0.0000 -0.0000 -0.0496 -0.3898 0.3259 -0.0430 0.5747 0.2077 119. (0.00016) RY*( 8) C 4 s( 21.35%)p 0.54( 11.45%)d 3.15( 67.20%) -0.0000 0.0172 0.4446 0.0640 -0.1067 -0.0000 -0.0000 -0.0000 -0.0000 -0.0336 0.1878 0.1637 0.0855 -0.0115 0.0564 0.1627 0.1191 -0.0000 -0.0000 -0.0000 -0.0000 0.5534 -0.4142 0.2387 -0.0773 -0.3001 0.2028 120. (0.00005) RY*( 9) C 4 s( 5.92%)p13.04( 77.24%)d 2.84( 16.84%) 121. (0.00004) RY*(10) C 4 s( 4.37%)p14.28( 62.36%)d 7.62( 33.27%) 122. (0.00001) RY*(11) C 4 s( 3.49%)p13.18( 45.98%)d14.49( 50.53%) 123. (0.00001) RY*(12) C 4 s( 9.59%)p 2.03( 19.46%)d 7.40( 70.95%) 124. (0.00000) RY*(13) C 4 s( 0.00%)p 1.00( 10.15%)d 8.85( 89.85%) 125. (0.00000) RY*(14) C 4 s( 0.00%)p 0.00( 0.01%)d 1.00( 99.99%) 126. (0.00000) RY*(15) C 4 s( 98.65%)p 0.00( 0.16%)d 0.01( 1.19%) 127. (0.00000) RY*(16) C 4 s( 0.00%)p 1.00( 2.73%)d35.58( 97.27%) 128. (0.00001) RY*(17) C 4 s( 3.35%)p11.64( 38.95%)d17.24( 57.70%) 129. (0.00001) RY*(18) C 4 s( 66.29%)p 0.06( 3.77%)d 0.45( 29.94%) 130. (0.00000) RY*(19) C 4 s( 0.00%)p 1.00( 99.59%)d 0.00( 0.41%) 131. (0.00001) RY*(20) C 4 s( 1.97%)p 2.28( 4.49%)d47.46( 93.54%) 132. (0.00001) RY*(21) C 4 s( 3.85%)p23.91( 92.05%)d 1.07( 4.10%) 133. (0.00000) RY*(22) C 4 s( 0.00%)p 1.00( 99.83%)d 0.00( 0.17%) 134. (0.00815) RY*( 1) C 5 s( 0.54%)p99.99( 95.32%)d 7.68( 4.14%) 0.0000 -0.0364 0.0600 0.0213 -0.0014 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0638 0.9733 -0.0381 0.0204 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0044 0.0844 -0.0942 0.1592 135. (0.00341) RY*( 2) C 5 s( 0.00%)p 1.00( 89.71%)d 0.11( 10.29%) -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0824 0.9162 -0.1728 -0.1446 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.2723 0.1696 -0.0000 -0.0000 -0.0000 -0.0000 136. (0.00221) RY*( 3) C 5 s( 91.15%)p 0.03( 2.88%)d 0.07( 5.97%) 0.0000 0.0285 0.9450 0.1325 0.0052 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0790 -0.0740 -0.0784 0.1046 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.2250 0.0132 -0.0887 -0.0320 137. (0.00137) RY*( 4) C 5 s( 0.00%)p 1.00( 90.06%)d 0.11( 9.94%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0178 0.9305 -0.1494 0.1102 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0195 -0.0338 0.3124 0.0154 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 138. (0.00047) RY*( 5) C 5 s( 0.00%)p 1.00( 22.74%)d 3.40( 77.26%) -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0427 0.3656 0.3016 0.0314 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.7284 -0.4920 0.0000 0.0000 0.0000 0.0000 139. (0.00047) RY*( 6) C 5 s( 1.15%)p13.06( 14.96%)d73.25( 83.90%) -0.0000 -0.0188 0.1050 0.0043 0.0079 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0222 0.1338 -0.3619 -0.0155 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.2842 -0.1901 0.7338 -0.4286 140. (0.00037) RY*( 7) C 5 s( 0.00%)p 1.00( 0.17%)d99.99( 99.83%) 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0068 0.0398 -0.0048 -0.0006 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.4992 0.8655 0.0044 0.0049 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 141. (0.00017) RY*( 8) C 5 s( 13.70%)p 0.28( 3.87%)d 6.02( 82.43%) -0.0000 -0.0478 -0.2277 0.2837 -0.0485 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0294 0.0633 0.0498 0.1771 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.8438 0.0399 0.2782 -0.1828 142. (0.00009) RY*( 9) C 5 s( 0.00%)p 1.00( 30.96%)d 2.23( 69.04%) 143. (0.00006) RY*(10) C 5 s( 2.37%)p25.76( 61.16%)d15.36( 36.46%) 144. (0.00006) RY*(11) C 5 s( 0.00%)p 1.00( 78.93%)d 0.27( 21.07%) 145. (0.00003) RY*(12) C 5 s( 29.48%)p 1.96( 57.86%)d 0.43( 12.66%) 146. (0.00003) RY*(13) C 5 s( 0.00%)p 1.00( 37.29%)d 1.68( 62.71%) 147. (0.00001) RY*(14) C 5 s( 0.00%)p 1.00( 71.45%)d 0.40( 28.55%) 148. (0.00000) RY*(15) C 5 s( 0.00%)p 1.00( 98.63%)d 0.01( 1.37%) 149. (0.00000) RY*(16) C 5 s( 0.00%)p 1.00( 5.80%)d16.24( 94.20%) 150. (0.00000) RY*(17) C 5 s( 0.00%)p 1.00( 74.40%)d 0.34( 25.60%) 151. (0.00000) RY*(18) C 5 s( 99.74%)p 0.00( 0.12%)d 0.00( 0.14%) 152. (0.00000) RY*(19) C 5 s( 38.04%)p 1.28( 48.70%)d 0.35( 13.26%) 153. (0.00000) RY*(20) C 5 s( 0.24%)p10.77( 2.63%)d99.99( 97.12%) 154. (0.00000) RY*(21) C 5 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 155. (0.00001) RY*(22) C 5 s( 23.14%)p 0.57( 13.19%)d 2.75( 63.67%) 156. (0.00860) RY*( 1) C 6 s( 3.25%)p27.44( 89.06%)d 2.37( 7.69%) 0.0000 -0.0169 0.1766 -0.0267 0.0162 0.0000 0.0000 0.0000 0.0000 -0.0322 0.8351 0.0488 0.0300 0.0178 -0.4275 -0.0342 -0.0676 0.0000 0.0000 0.0000 0.0000 0.0015 0.1985 0.1322 0.0067 0.0296 0.1383 157. (0.00317) RY*( 2) C 6 s( 1.92%)p49.24( 94.30%)d 1.98( 3.78%) -0.0000 0.0090 0.1375 0.0083 0.0100 0.0000 0.0000 0.0000 0.0000 0.0311 0.3797 -0.0213 -0.0928 0.0438 0.8539 0.0073 -0.2404 0.0000 0.0000 0.0000 0.0000 0.0784 -0.0839 0.1047 -0.0269 -0.0208 0.1119 158. (0.00120) RY*( 3) C 6 s( 0.00%)p 1.00( 87.13%)d 0.15( 12.87%) 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0190 0.9042 -0.2079 0.1005 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.3062 0.0070 0.0160 -0.1860 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 159. (0.00103) RY*( 4) C 6 s( 29.60%)p 0.71( 20.95%)d 1.67( 49.45%) -0.0000 0.0164 0.5431 0.0205 0.0192 0.0000 0.0000 0.0000 0.0000 0.0148 -0.1943 -0.2434 -0.0328 -0.0050 -0.1676 -0.2860 -0.0361 0.0000 0.0000 0.0000 0.0000 0.3719 -0.4134 0.3448 -0.1076 0.0654 0.2248 160. (0.00057) RY*( 5) C 6 s( 17.75%)p 1.82( 32.32%)d 2.81( 49.93%) 0.0000 -0.0051 0.4072 0.1068 0.0168 -0.0000 -0.0000 -0.0000 -0.0000 0.0085 0.0195 0.2308 -0.1219 0.0010 0.0453 0.4318 0.2572 -0.0000 -0.0000 -0.0000 -0.0000 0.1408 0.0628 0.0398 -0.1841 0.4226 -0.5113 161. (0.00042) RY*( 6) C 6 s( 0.00%)p 1.00( 0.57%)d99.99( 99.43%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0094 0.0118 -0.0457 0.0584 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.1406 0.5515 0.6839 0.4502 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 162. (0.00017) RY*( 7) C 6 s( 28.77%)p 0.27( 7.65%)d 2.21( 63.58%) 0.0000 0.0014 -0.2862 0.4519 0.0396 0.0000 0.0000 0.0000 0.0000 -0.0050 -0.1046 -0.1889 0.0959 0.0183 0.0473 -0.0996 -0.0900 0.0000 0.0000 0.0000 0.0000 0.0496 0.3898 0.3259 -0.0430 0.5747 0.2077 163. (0.00016) RY*( 8) C 6 s( 21.35%)p 0.54( 11.45%)d 3.15( 67.20%) -0.0000 0.0172 0.4446 0.0640 -0.1067 -0.0000 -0.0000 -0.0000 -0.0000 0.0336 -0.1878 -0.1637 -0.0855 -0.0115 0.0564 0.1627 0.1191 -0.0000 -0.0000 -0.0000 -0.0000 -0.5534 0.4142 0.2387 -0.0773 -0.3001 0.2028 164. (0.00005) RY*( 9) C 6 s( 5.92%)p13.04( 77.24%)d 2.84( 16.84%) 165. (0.00004) RY*(10) C 6 s( 4.37%)p14.28( 62.36%)d 7.62( 33.27%) 166. (0.00001) RY*(11) C 6 s( 3.49%)p13.18( 45.98%)d14.49( 50.53%) 167. (0.00001) RY*(12) C 6 s( 9.59%)p 2.03( 19.46%)d 7.40( 70.95%) 168. (0.00000) RY*(13) C 6 s( 0.00%)p 1.00( 9.75%)d 9.25( 90.25%) 169. (0.00000) RY*(14) C 6 s( 0.00%)p 1.00( 0.18%)d99.99( 99.82%) 170. (0.00000) RY*(15) C 6 s( 98.65%)p 0.00( 0.16%)d 0.01( 1.19%) 171. (0.00000) RY*(16) C 6 s( 0.00%)p 1.00( 3.61%)d26.69( 96.39%) 172. (0.00001) RY*(17) C 6 s( 3.35%)p11.64( 38.95%)d17.24( 57.70%) 173. (0.00001) RY*(18) C 6 s( 66.29%)p 0.06( 3.77%)d 0.45( 29.94%) 174. (0.00000) RY*(19) C 6 s( 0.00%)p 1.00( 99.55%)d 0.00( 0.45%) 175. (0.00001) RY*(20) C 6 s( 1.97%)p 2.28( 4.49%)d47.46( 93.54%) 176. (0.00001) RY*(21) C 6 s( 3.85%)p23.91( 92.05%)d 1.07( 4.10%) 177. (0.00000) RY*(22) C 6 s( 0.00%)p 1.00( 99.22%)d 0.01( 0.78%) 178. (0.00054) RY*( 1) H 7 s( 98.64%)p 0.01( 1.36%) 0.0034 0.9931 0.0059 0.0000 -0.1075 0.0452 179. (0.00022) RY*( 2) H 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 180. (0.00017) RY*( 3) H 7 s( 95.16%)p 0.05( 4.84%) 0.0029 -0.0255 0.9752 0.0000 -0.2097 -0.0663 181. (0.00007) RY*( 4) H 7 s( 3.58%)p26.92( 96.42%) 182. (0.00004) RY*( 5) H 7 s( 2.65%)p36.68( 97.35%) 183. (0.01731) RY*( 1)Mg 8 s( 0.00%)p 1.00( 97.62%)d 0.02( 2.38%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9737 -0.1672 0.0149 0.0010 0.0022 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 0.1429 0.0578 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 184. (0.01577) RY*( 2)Mg 8 s( 5.17%)p17.56( 90.70%)d 0.80( 4.13%) -0.0000 -0.0000 0.0586 0.2194 0.0083 0.0001 0.0001 -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 -0.8966 -0.3173 -0.0454 0.0210 0.0039 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0286 -0.0380 -0.1976 -0.0059 185. (0.01397) RY*( 3)Mg 8 s( 0.00%)p 1.00( 89.20%)d 0.12( 10.80%) 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 0.9290 -0.1609 -0.0560 0.0011 -0.0036 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.3256 0.0448 0.0000 -0.0000 -0.0000 0.0000 186. (0.00327) RY*( 4)Mg 8 s( 0.00%)p 1.00( 12.39%)d 7.07( 87.61%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.1088 0.0722 -0.3222 -0.0535 -0.0142 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 0.9228 -0.1563 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 187. (0.00030) RY*( 5)Mg 8 s( 17.71%)p 1.65( 29.26%)d 2.99( 53.03%) 0.0000 0.0000 -0.0002 -0.0049 0.4125 -0.0831 -0.0019 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 0.2286 -0.4590 0.0402 0.1646 -0.0320 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.4414 -0.5383 -0.1188 0.1779 188. (0.00029) RY*( 6)Mg 8 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 -0.6252 0.7805 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 189. (0.00023) RY*( 7)Mg 8 s( 43.68%)p 0.79( 34.59%)d 0.50( 21.73%) 0.0000 0.0000 -0.0011 -0.2048 0.6084 0.1572 0.0026 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 -0.0117 -0.2173 -0.2930 -0.4400 0.1381 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.2568 0.2952 0.1228 0.2218 190. (0.00018) RY*( 8)Mg 8 s( 0.00%)p 1.00( 85.58%)d 0.17( 14.42%) 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 -0.0113 -0.4869 0.7650 0.1599 0.0882 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.1256 0.3583 0.0000 -0.0000 -0.0000 -0.0000 191. (0.00013) RY*( 9)Mg 8 s( 0.00%)p 1.00( 31.75%)d 2.15( 68.25%) 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 -0.3601 -0.4166 -0.0997 0.0660 0.0034 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.8191 -0.1079 -0.0000 0.0000 0.0000 -0.0000 192. (0.00010) RY*(10)Mg 8 s( 7.33%)p 8.70( 63.74%)d 3.95( 28.92%) 193. (0.00006) RY*(11)Mg 8 s( 30.89%)p 1.14( 35.18%)d 1.10( 33.92%) 194. (0.00006) RY*(12)Mg 8 s( 15.75%)p 0.63( 9.97%)d 4.72( 74.28%) 195. (0.00003) RY*(13)Mg 8 s( 5.93%)p 7.10( 42.09%)d 8.77( 51.98%) 196. (0.00002) RY*(14)Mg 8 s( 0.00%)p 1.00( 98.37%)d 0.02( 1.63%) 197. (0.00003) RY*(15)Mg 8 s( 0.00%)p 1.00( 40.08%)d 1.49( 59.92%) 198. (0.00001) RY*(16)Mg 8 s( 0.00%)p 1.00( 7.02%)d13.24( 92.98%) 199. (0.00001) RY*(17)Mg 8 s( 9.68%)p 7.22( 69.84%)d 2.12( 20.48%) 200. (0.00000) RY*(18)Mg 8 s( 0.00%)p 1.00( 92.93%)d 0.08( 7.07%) 201. (0.00000) RY*(19)Mg 8 s( 3.16%)p29.27( 92.36%)d 1.42( 4.48%) 202. (0.00000) RY*(20)Mg 8 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 203. (0.00000) RY*(21)Mg 8 s( 0.00%)p 1.00( 99.45%)d 0.01( 0.55%) 204. (0.00000) RY*(22)Mg 8 s( 99.98%)p 0.00( 0.01%)d 0.00( 0.01%) 205. (0.00000) RY*(23)Mg 8 s( 0.00%)p 1.00( 92.21%)d 0.08( 7.79%) 206. (0.00001) RY*(24)Mg 8 s( 0.00%)p 1.00( 55.27%)d 0.81( 44.73%) 207. (0.00001) RY*(25)Mg 8 s( 90.30%)p 0.05( 4.92%)d 0.05( 4.78%) 208. (0.00000) RY*(26)Mg 8 s( 12.52%)p 0.50( 6.28%)d 6.49( 81.20%) 209. (0.00000) RY*(27)Mg 8 s( 0.00%)p 1.00( 98.19%)d 0.02( 1.81%) 210. (0.00000) RY*(28)Mg 8 s( 0.00%)p 1.00( 99.93%)d 0.00( 0.07%) 211. (0.00000) RY*(29)Mg 8 s( 58.63%)p 0.35( 20.75%)d 0.35( 20.62%) 212. (0.00026) RY*( 1)Br 9 s( 65.60%)p 0.29( 18.72%)d 0.24( 15.68%) 0.0000 0.0000 -0.0000 -0.0059 0.7712 -0.2469 0.0161 -0.0021 -0.0003 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 0.0319 0.2066 0.3781 -0.0210 -0.0070 0.0008 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 -0.0004 -0.0018 0.0018 -0.0000 0.3641 0.1433 0.0606 213. (0.00010) RY*( 2)Br 9 s( 0.00%)p 1.00( 55.47%)d 0.80( 44.53%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0267 0.4044 0.5891 0.2047 0.0379 -0.0003 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 -0.5427 0.3876 0.0236 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 214. (0.00006) RY*( 3)Br 9 s( 8.30%)p 3.71( 30.81%)d 7.34( 60.89%) 215. (0.00004) RY*( 4)Br 9 s( 19.93%)p 3.91( 78.03%)d 0.10( 2.04%) 216. (0.00000) RY*( 5)Br 9 s(100.00%)p 0.00( 0.00%)d 0.00( 0.00%) 217. (0.00001) RY*( 6)Br 9 s( 0.00%)p 1.00(100.00%)d 0.00( 0.00%) 218. (0.00001) RY*( 7)Br 9 s( 77.68%)p 0.16( 12.35%)d 0.13( 9.98%) 219. (0.00000) RY*( 8)Br 9 s( 0.00%)p 1.00(100.00%)d 0.00( 0.00%) 220. (0.00000) RY*( 9)Br 9 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 221. (0.00000) RY*(10)Br 9 s( 0.00%)p 1.00(100.00%)d 0.00( 0.00%) 222. (0.00001) RY*(11)Br 9 s( 0.00%)p 1.00(100.00%)d 0.00( 0.00%) 223. (0.00000) RY*(12)Br 9 s( 0.00%)p 1.00(100.00%) 224. (0.00000) RY*(13)Br 9 s( 0.00%)p 1.00(100.00%) 225. (0.00000) RY*(14)Br 9 s( 0.00%)p 1.00(100.00%) 226. (0.00000) RY*(15)Br 9 s( 0.00%)p 1.00(100.00%) 227. (0.00000) RY*(16)Br 9 s( 99.53%)p 0.00( 0.18%)d 0.00( 0.29%) 228. (0.00000) RY*(17)Br 9 s( 26.74%)p 2.25( 60.05%)d 0.49( 13.21%) 229. (0.00000) RY*(18)Br 9 s( 0.38%)p99.99( 99.61%)d 0.01( 0.00%) 230. (0.00000) RY*(19)Br 9 s( 0.03%)p99.99( 99.95%)d 0.57( 0.02%) 231. (0.00000) RY*(20)Br 9 s( 0.00%)p 1.00(100.00%)d 0.00( 0.00%) 232. (0.00000) RY*(21)Br 9 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 233. (0.00000) RY*(22)Br 9 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 234. (0.00000) RY*(23)Br 9 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 235. (0.00000) RY*(24)Br 9 s( 0.00%)p 1.00( 34.91%)d 1.86( 65.09%) 236. (0.00000) RY*(25)Br 9 s( 0.00%)p 1.00( 9.83%)d 9.17( 90.17%) 237. (0.00000) RY*(26)Br 9 s( 0.00%)p 1.00( 0.03%)d99.99( 99.97%) 238. (0.00001) RY*(27)Br 9 s( 0.00%)p 1.00( 0.17%)d99.99( 99.83%) 239. (0.00000) RY*(28)Br 9 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 240. (0.00000) RY*(29)Br 9 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 241. (0.00000) RY*(30)Br 9 s( 0.00%)p 1.00( 0.02%)d99.99( 99.98%) 242. (0.00000) RY*(31)Br 9 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 243. (0.00000) RY*(32)Br 9 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 244. (0.00000) RY*(33)Br 9 s( 99.98%)p 0.00( 0.02%)d 0.00( 0.01%) 245. (0.00000) RY*(34)Br 9 s( 1.54%)p 0.25( 0.39%)d63.78( 98.08%) 246. (0.00000) RY*(35)Br 9 s( 0.30%)p 0.73( 0.22%)d99.99( 99.49%) 247. (0.00054) RY*( 1) H 10 s( 98.64%)p 0.01( 1.36%) 0.0034 0.9931 0.0059 0.0000 0.1075 0.0452 248. (0.00022) RY*( 2) H 10 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 249. (0.00017) RY*( 3) H 10 s( 95.16%)p 0.05( 4.84%) 0.0029 -0.0255 0.9752 0.0000 0.2097 -0.0663 250. (0.00007) RY*( 4) H 10 s( 3.58%)p26.92( 96.42%) 251. (0.00004) RY*( 5) H 10 s( 2.65%)p36.68( 97.35%) 252. (0.00057) RY*( 1) H 11 s( 99.46%)p 0.01( 0.54%) 0.0022 0.9973 0.0041 0.0000 0.0670 -0.0296 253. (0.00020) RY*( 2) H 11 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 254. (0.00016) RY*( 3) H 11 s( 93.28%)p 0.07( 6.72%) 0.0045 -0.0227 0.9655 0.0000 0.2122 -0.1490 255. (0.00006) RY*( 4) H 11 s( 0.16%)p99.99( 99.84%) 256. (0.00004) RY*( 5) H 11 s( 7.14%)p13.00( 92.86%) 257. (0.00048) RY*( 1) H 12 s( 99.68%)p 0.00( 0.32%) -0.0019 0.9984 -0.0060 0.0000 -0.0000 0.0561 258. (0.00020) RY*( 2) H 12 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 259. (0.00018) RY*( 3) H 12 s( 90.34%)p 0.11( 9.66%) 0.0056 0.0232 0.9502 0.0000 -0.0000 -0.3108 260. (0.00005) RY*( 4) H 12 s( 0.00%)p 1.00(100.00%) 261. (0.00004) RY*( 5) H 12 s( 10.02%)p 8.98( 89.98%) 262. (0.00057) RY*( 1) H 13 s( 99.46%)p 0.01( 0.54%) 0.0022 0.9973 0.0041 0.0000 -0.0670 -0.0296 263. (0.00020) RY*( 2) H 13 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 264. (0.00016) RY*( 3) H 13 s( 93.28%)p 0.07( 6.72%) 0.0045 -0.0227 0.9655 0.0000 -0.2122 -0.1490 265. (0.00006) RY*( 4) H 13 s( 0.16%)p99.99( 99.84%) 266. (0.00004) RY*( 5) H 13 s( 7.14%)p13.00( 92.86%) 267. (0.01679) BD*( 1) C 1 - C 2 ( 50.05%) 0.7074* C 1 s( 35.63%)p 1.80( 64.25%)d 0.00( 0.11%) 0.0001 0.5968 -0.0108 -0.0020 0.0003 0.0000 0.0000 0.0000 0.0000 0.6754 0.0039 0.0130 0.0027 -0.4291 0.0459 -0.0008 0.0009 0.0000 0.0000 0.0000 0.0000 -0.0139 -0.0096 -0.0283 0.0028 0.0018 -0.0058 ( 49.95%) -0.7068* C 2 s( 35.78%)p 1.79( 64.11%)d 0.00( 0.11%) 0.0000 0.5981 -0.0113 -0.0008 0.0001 0.0000 0.0000 0.0000 0.0000 -0.7058 0.0368 -0.0082 -0.0005 0.3752 0.0243 0.0112 0.0018 0.0000 0.0000 0.0000 0.0000 -0.0178 -0.0078 -0.0235 0.0010 0.0086 -0.0082 268. (0.02526) BD*( 1) C 1 - C 6 ( 49.78%) 0.7056* C 1 s( 36.09%)p 1.77( 63.82%)d 0.00( 0.10%) -0.0000 -0.6006 0.0102 -0.0001 -0.0003 -0.0000 -0.0000 -0.0000 -0.0000 0.0240 -0.0405 -0.0052 -0.0011 -0.7972 0.0186 -0.0104 -0.0010 -0.0000 -0.0000 -0.0000 -0.0000 -0.0053 0.0010 0.0117 -0.0085 -0.0268 -0.0068 ( 50.22%) -0.7087* C 6 s( 35.91%)p 1.78( 63.99%)d 0.00( 0.11%) -0.0000 -0.5992 0.0041 0.0023 -0.0009 -0.0000 -0.0000 -0.0000 -0.0000 0.0192 -0.0378 -0.0053 -0.0016 0.7984 -0.0208 0.0106 0.0019 -0.0000 -0.0000 -0.0000 -0.0000 0.0035 -0.0015 0.0081 -0.0063 -0.0305 -0.0053 269. (0.32972) BD*( 2) C 1 - C 6 ( 50.15%) 0.7082* C 1 s( 0.00%)p 1.00( 99.98%)d 0.00( 0.02%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.9996 0.0154 -0.0150 0.0014 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0087 0.0014 0.0114 0.0064 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 ( 49.85%) -0.7061* C 6 s( 0.00%)p 1.00( 99.98%)d 0.00( 0.02%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.9996 0.0176 -0.0177 0.0023 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0061 0.0021 -0.0117 -0.0064 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 270. (0.01467) BD*( 1) C 1 - H 13 ( 39.73%) 0.6303* C 1 s( 28.15%)p 2.55( 71.80%)d 0.00( 0.05%) -0.0005 0.5303 0.0167 0.0014 -0.0005 -0.0000 -0.0000 -0.0000 -0.0000 -0.7351 -0.0139 0.0002 0.0017 -0.4210 -0.0104 0.0011 0.0010 -0.0000 -0.0000 -0.0000 -0.0000 0.0139 0.0092 -0.0110 -0.0056 -0.0060 -0.0011 ( 60.27%) -0.7764* H 13 s( 99.96%)p 0.00( 0.04%) 0.9998 -0.0007 0.0008 -0.0000 0.0177 0.0104 271. (0.01679) BD*( 1) C 2 - C 3 ( 49.95%) 0.7068* C 2 s( 35.78%)p 1.79( 64.11%)d 0.00( 0.11%) -0.0000 -0.5981 0.0113 0.0008 -0.0001 -0.0000 -0.0000 -0.0000 -0.0000 -0.7058 0.0368 -0.0082 -0.0005 -0.3752 -0.0243 -0.0112 -0.0018 -0.0000 -0.0000 -0.0000 -0.0000 -0.0178 -0.0078 0.0235 -0.0010 -0.0086 0.0082 ( 50.05%) -0.7074* C 3 s( 35.63%)p 1.80( 64.25%)d 0.00( 0.11%) -0.0001 -0.5968 0.0108 0.0020 -0.0003 -0.0000 -0.0000 -0.0000 -0.0000 0.6754 0.0039 0.0130 0.0027 0.4291 -0.0459 0.0008 -0.0009 -0.0000 -0.0000 -0.0000 -0.0000 -0.0139 -0.0096 0.0283 -0.0028 -0.0018 0.0058 272. (0.33086) BD*( 2) C 2 - C 3 ( 50.13%) 0.7080* C 2 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.9995 0.0194 -0.0165 0.0018 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0059 0.0047 0.0147 0.0034 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 ( 49.87%) -0.7062* C 3 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.9996 0.0188 -0.0161 0.0015 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0156 -0.0052 0.0012 -0.0017 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 273. (0.01446) BD*( 1) C 2 - H 12 ( 39.71%) 0.6301* C 2 s( 28.32%)p 2.53( 71.63%)d 0.00( 0.05%) -0.0004 0.5318 0.0188 0.0011 -0.0002 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.8462 -0.0153 0.0021 0.0024 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0031 0.0010 0.0187 0.0102 ( 60.29%) -0.7765* H 12 s( 99.96%)p 0.00( 0.04%) 0.9998 0.0007 0.0009 -0.0000 0.0000 0.0208 274. (0.02526) BD*( 1) C 3 - C 4 ( 49.78%) 0.7056* C 3 s( 36.09%)p 1.77( 63.82%)d 0.00( 0.10%) -0.0000 -0.6006 0.0102 -0.0001 -0.0003 -0.0000 -0.0000 -0.0000 -0.0000 -0.0240 0.0405 0.0052 0.0011 -0.7972 0.0186 -0.0104 -0.0010 -0.0000 -0.0000 -0.0000 -0.0000 0.0053 -0.0010 0.0117 -0.0085 -0.0268 -0.0068 ( 50.22%) -0.7087* C 4 s( 35.91%)p 1.78( 63.99%)d 0.00( 0.11%) -0.0000 -0.5992 0.0041 0.0023 -0.0009 -0.0000 -0.0000 -0.0000 -0.0000 -0.0192 0.0378 0.0053 0.0016 0.7984 -0.0208 0.0106 0.0019 -0.0000 -0.0000 -0.0000 -0.0000 -0.0035 0.0015 0.0081 -0.0063 -0.0305 -0.0053 275. (0.01467) BD*( 1) C 3 - H 11 ( 39.73%) 0.6303* C 3 s( 28.15%)p 2.55( 71.80%)d 0.00( 0.05%) 0.0005 -0.5303 -0.0167 -0.0014 0.0005 -0.0000 -0.0000 -0.0000 -0.0000 -0.7351 -0.0139 0.0002 0.0017 0.4210 0.0104 -0.0011 -0.0010 -0.0000 -0.0000 -0.0000 -0.0000 0.0139 0.0092 0.0110 0.0056 0.0060 0.0011 ( 60.27%) -0.7764* H 11 s( 99.96%)p 0.00( 0.04%) -0.9998 0.0007 -0.0008 -0.0000 0.0177 -0.0104 276. (0.01674) BD*( 1) C 4 - C 5 ( 48.30%) 0.6950* C 4 s( 37.30%)p 1.68( 62.58%)d 0.00( 0.13%) -0.0001 -0.6104 0.0180 -0.0009 -0.0002 -0.0000 -0.0000 -0.0000 -0.0000 0.6539 0.0088 0.0129 -0.0006 -0.4421 0.0499 -0.0012 0.0017 -0.0000 -0.0000 -0.0000 -0.0000 0.0134 0.0094 0.0309 -0.0059 -0.0023 0.0042 ( 51.70%) -0.7190* C 5 s( 37.03%)p 1.70( 62.82%)d 0.00( 0.16%) 0.0001 -0.6062 0.0525 -0.0008 -0.0001 -0.0000 -0.0000 -0.0000 -0.0000 -0.7036 0.0659 -0.0024 0.0008 0.3588 -0.0055 -0.0006 0.0005 -0.0000 -0.0000 -0.0000 -0.0000 0.0188 0.0143 0.0256 0.0053 -0.0171 0.0049 277. (0.33581) BD*( 2) C 4 - C 5 ( 49.81%) 0.7058* C 4 s( 0.00%)p 1.00( 99.98%)d 0.00( 0.02%) -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.9998 -0.0072 0.0160 -0.0020 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0076 0.0100 0.0020 -0.0023 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 ( 50.19%) -0.7084* C 5 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.9996 0.0186 0.0124 -0.0017 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0038 -0.0065 0.0065 0.0125 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 278. (0.01900) BD*( 1) C 4 - H 10 ( 40.43%) 0.6359* C 4 s( 26.70%)p 2.74( 73.24%)d 0.00( 0.06%) 0.0005 -0.5162 -0.0214 -0.0011 0.0010 -0.0000 -0.0000 -0.0000 -0.0000 -0.7537 -0.0221 -0.0000 0.0009 -0.4046 -0.0109 -0.0007 -0.0007 -0.0000 -0.0000 -0.0000 -0.0000 -0.0196 -0.0055 0.0101 0.0070 0.0031 0.0056 ( 59.57%) -0.7718* H 10 s( 99.96%)p 0.00( 0.04%) -0.9998 0.0011 -0.0003 -0.0000 0.0178 0.0075 279. (0.01674) BD*( 1) C 5 - C 6 ( 51.70%) 0.7190* C 5 s( 37.03%)p 1.70( 62.82%)d 0.00( 0.16%) -0.0001 0.6062 -0.0525 0.0008 0.0001 0.0000 0.0000 0.0000 0.0000 -0.7036 0.0659 -0.0024 0.0008 -0.3588 0.0055 0.0006 -0.0005 0.0000 0.0000 0.0000 0.0000 0.0188 0.0143 -0.0256 -0.0053 0.0171 -0.0049 ( 48.30%) -0.6950* C 6 s( 37.30%)p 1.68( 62.58%)d 0.00( 0.13%) 0.0001 0.6104 -0.0180 0.0009 0.0002 0.0000 0.0000 0.0000 0.0000 0.6539 0.0088 0.0129 -0.0006 0.4421 -0.0499 0.0012 -0.0017 0.0000 0.0000 0.0000 0.0000 0.0134 0.0094 -0.0309 0.0059 0.0023 -0.0042 280. (0.01900) BD*( 1) C 6 - H 7 ( 40.43%) 0.6359* C 6 s( 26.70%)p 2.74( 73.24%)d 0.00( 0.06%) -0.0005 0.5162 0.0214 0.0011 -0.0010 -0.0000 -0.0000 -0.0000 -0.0000 -0.7537 -0.0221 -0.0000 0.0009 0.4046 0.0109 0.0007 0.0007 -0.0000 -0.0000 -0.0000 -0.0000 -0.0196 -0.0055 -0.0101 -0.0070 -0.0031 -0.0056 ( 59.57%) -0.7718* H 7 s( 99.96%)p 0.00( 0.04%) 0.9998 -0.0011 0.0003 -0.0000 0.0178 -0.0075 NHO Directionality and "Bond Bending" (deviations from line of nuclear centers) [Thresholds for printing: angular deviation > 1.0 degree] hybrid p-character > 25.0% orbital occupancy > 0.10e Line of Centers Hybrid 1 Hybrid 2 --------------- ------------------- ------------------ NBO Theta Phi Theta Phi Dev Theta Phi Dev ======================================================================================== 1. BD ( 1) C 1 - C 2 120.2 90.0 118.9 90.0 1.4 58.7 270.0 1.1 2. BD ( 1) C 1 - C 6 0.2 90.0 1.7 90.0 1.4 178.1 90.0 2.1 3. BD ( 2) C 1 - C 6 0.2 90.0 90.0 0.0 90.0 90.0 0.0 90.0 5. BD ( 1) C 2 - C 3 59.8 90.0 58.7 90.0 1.1 118.9 270.0 1.4 6. BD ( 2) C 2 - C 3 59.8 90.0 90.0 0.0 90.0 90.0 0.0 90.0 8. BD ( 1) C 3 - C 4 0.2 270.0 1.7 270.0 1.4 178.1 270.0 2.1 10. BD ( 1) C 4 - C 5 58.3 270.0 59.9 270.0 1.6 118.9 90.0 2.8 11. BD ( 2) C 4 - C 5 58.3 270.0 90.0 0.0 90.0 90.0 0.0 90.0 13. BD ( 1) C 5 - C 6 121.7 270.0 118.9 270.0 2.8 59.9 90.0 1.6 40. LP ( 1) C 5 -- -- 0.0 0.0 -- -- -- -- 43. LP ( 2)Br 9 -- -- 90.0 0.0 -- -- -- -- 44. LP ( 3)Br 9 -- -- 90.0 90.0 -- -- -- -- 45. LP ( 4)Br 9 -- -- 180.0 0.0 -- -- -- -- 269. BD*( 2) C 1 - C 6 0.2 90.0 90.0 0.0 90.0 90.0 0.0 90.0 272. BD*( 2) C 2 - C 3 59.8 90.0 90.0 0.0 90.0 90.0 0.0 90.0 277. BD*( 2) C 4 - C 5 58.3 270.0 90.0 0.0 90.0 90.0 0.0 90.0 Second Order Perturbation Theory Analysis of Fock Matrix in NBO Basis Threshold for printing: 0.50 kcal/mol (Intermolecular threshold: 0.05 kcal/mol) E(2) E(j)-E(i) F(i,j) Donor NBO (i) Acceptor NBO (j) kcal/mol a.u. a.u. =================================================================================================== within unit 1 1. BD ( 1) C 1 - C 2 / 90. RY*( 1) C 3 1.30 1.86 0.044 1. BD ( 1) C 1 - C 2 / 91. RY*( 2) C 3 1.40 2.05 0.048 1. BD ( 1) C 1 - C 2 /156. RY*( 1) C 6 1.38 1.78 0.044 1. BD ( 1) C 1 - C 2 /157. RY*( 2) C 6 0.87 1.86 0.036 1. BD ( 1) C 1 - C 2 /159. RY*( 4) C 6 0.56 1.97 0.030 1. BD ( 1) C 1 - C 2 /268. BD*( 1) C 1 - C 6 2.96 1.27 0.055 1. BD ( 1) C 1 - C 2 /270. BD*( 1) C 1 - H 13 0.94 1.13 0.029 1. BD ( 1) C 1 - C 2 /271. BD*( 1) C 2 - C 3 2.79 1.27 0.053 1. BD ( 1) C 1 - C 2 /273. BD*( 1) C 2 - H 12 0.96 1.13 0.029 1. BD ( 1) C 1 - C 2 /275. BD*( 1) C 3 - H 11 2.53 1.13 0.048 1. BD ( 1) C 1 - C 2 /280. BD*( 1) C 6 - H 7 2.32 1.13 0.046 2. BD ( 1) C 1 - C 6 / 68. RY*( 1) C 2 1.34 1.96 0.046 2. BD ( 1) C 1 - C 6 / 69. RY*( 2) C 2 1.38 2.09 0.048 2. BD ( 1) C 1 - C 6 /134. RY*( 1) C 5 0.81 1.73 0.033 2. BD ( 1) C 1 - C 6 /135. RY*( 2) C 5 0.72 1.63 0.031 2. BD ( 1) C 1 - C 6 /267. BD*( 1) C 1 - C 2 2.75 1.27 0.053 2. BD ( 1) C 1 - C 6 /270. BD*( 1) C 1 - H 13 1.04 1.13 0.031 2. BD ( 1) C 1 - C 6 /273. BD*( 1) C 2 - H 12 2.50 1.13 0.048 2. BD ( 1) C 1 - C 6 /279. BD*( 1) C 5 - C 6 3.57 1.26 0.060 2. BD ( 1) C 1 - C 6 /280. BD*( 1) C 6 - H 7 0.80 1.13 0.027 3. BD ( 2) C 1 - C 6 / 70. RY*( 3) C 2 1.27 0.64 0.028 3. BD ( 2) C 1 - C 6 /137. RY*( 4) C 5 1.34 0.71 0.030 3. BD ( 2) C 1 - C 6 /272. BD*( 2) C 2 - C 3 20.50 0.28 0.068 3. BD ( 2) C 1 - C 6 /277. BD*( 2) C 4 - C 5 18.73 0.28 0.064 4. BD ( 1) C 1 - H 13 / 68. RY*( 1) C 2 1.46 1.78 0.046 4. BD ( 1) C 1 - H 13 /156. RY*( 1) C 6 1.29 1.59 0.041 4. BD ( 1) C 1 - H 13 /157. RY*( 2) C 6 0.65 1.68 0.030 4. BD ( 1) C 1 - H 13 /267. BD*( 1) C 1 - C 2 0.56 1.09 0.022 4. BD ( 1) C 1 - H 13 /268. BD*( 1) C 1 - C 6 0.64 1.08 0.024 4. BD ( 1) C 1 - H 13 /271. BD*( 1) C 2 - C 3 3.74 1.09 0.057 4. BD ( 1) C 1 - H 13 /279. BD*( 1) C 5 - C 6 4.73 1.07 0.064 4. BD ( 1) C 1 - H 13 /280. BD*( 1) C 6 - H 7 0.60 0.95 0.021 5. BD ( 1) C 2 - C 3 / 46. RY*( 1) C 1 1.30 1.86 0.044 5. BD ( 1) C 2 - C 3 / 47. RY*( 2) C 1 1.40 2.05 0.048 5. BD ( 1) C 2 - C 3 /112. RY*( 1) C 4 1.38 1.78 0.044 5. BD ( 1) C 2 - C 3 /113. RY*( 2) C 4 0.87 1.86 0.036 5. BD ( 1) C 2 - C 3 /115. RY*( 4) C 4 0.56 1.97 0.030 5. BD ( 1) C 2 - C 3 /267. BD*( 1) C 1 - C 2 2.79 1.27 0.053 5. BD ( 1) C 2 - C 3 /270. BD*( 1) C 1 - H 13 2.53 1.13 0.048 5. BD ( 1) C 2 - C 3 /273. BD*( 1) C 2 - H 12 0.96 1.13 0.029 5. BD ( 1) C 2 - C 3 /274. BD*( 1) C 3 - C 4 2.96 1.27 0.055 5. BD ( 1) C 2 - C 3 /275. BD*( 1) C 3 - H 11 0.94 1.13 0.029 5. BD ( 1) C 2 - C 3 /278. BD*( 1) C 4 - H 10 2.32 1.13 0.046 6. BD ( 2) C 2 - C 3 / 48. RY*( 3) C 1 0.86 0.69 0.024 6. BD ( 2) C 2 - C 3 /269. BD*( 2) C 1 - C 6 20.44 0.28 0.068 6. BD ( 2) C 2 - C 3 /277. BD*( 2) C 4 - C 5 21.02 0.28 0.068 7. BD ( 1) C 2 - H 12 / 46. RY*( 1) C 1 1.55 1.68 0.046 7. BD ( 1) C 2 - H 12 / 90. RY*( 1) C 3 1.55 1.68 0.046 7. BD ( 1) C 2 - H 12 /267. BD*( 1) C 1 - C 2 0.60 1.09 0.023 7. BD ( 1) C 2 - H 12 /268. BD*( 1) C 1 - C 6 3.86 1.08 0.058 7. BD ( 1) C 2 - H 12 /271. BD*( 1) C 2 - C 3 0.60 1.09 0.023 7. BD ( 1) C 2 - H 12 /274. BD*( 1) C 3 - C 4 3.86 1.08 0.058 8. BD ( 1) C 3 - C 4 / 68. RY*( 1) C 2 1.34 1.96 0.046 8. BD ( 1) C 3 - C 4 / 69. RY*( 2) C 2 1.38 2.09 0.048 8. BD ( 1) C 3 - C 4 /134. RY*( 1) C 5 0.81 1.73 0.033 8. BD ( 1) C 3 - C 4 /135. RY*( 2) C 5 0.72 1.63 0.031 8. BD ( 1) C 3 - C 4 /271. BD*( 1) C 2 - C 3 2.75 1.27 0.053 8. BD ( 1) C 3 - C 4 /273. BD*( 1) C 2 - H 12 2.50 1.13 0.048 8. BD ( 1) C 3 - C 4 /275. BD*( 1) C 3 - H 11 1.04 1.13 0.031 8. BD ( 1) C 3 - C 4 /276. BD*( 1) C 4 - C 5 3.57 1.26 0.060 8. BD ( 1) C 3 - C 4 /278. BD*( 1) C 4 - H 10 0.80 1.13 0.027 9. BD ( 1) C 3 - H 11 / 68. RY*( 1) C 2 1.46 1.78 0.046 9. BD ( 1) C 3 - H 11 /112. RY*( 1) C 4 1.29 1.59 0.041 9. BD ( 1) C 3 - H 11 /113. RY*( 2) C 4 0.65 1.68 0.030 9. BD ( 1) C 3 - H 11 /267. BD*( 1) C 1 - C 2 3.74 1.09 0.057 9. BD ( 1) C 3 - H 11 /271. BD*( 1) C 2 - C 3 0.56 1.09 0.022 9. BD ( 1) C 3 - H 11 /274. BD*( 1) C 3 - C 4 0.64 1.08 0.024 9. BD ( 1) C 3 - H 11 /276. BD*( 1) C 4 - C 5 4.73 1.07 0.064 9. BD ( 1) C 3 - H 11 /278. BD*( 1) C 4 - H 10 0.60 0.95 0.021 10. BD ( 1) C 4 - C 5 / 90. RY*( 1) C 3 1.53 1.86 0.048 10. BD ( 1) C 4 - C 5 / 91. RY*( 2) C 3 1.22 2.05 0.045 10. BD ( 1) C 4 - C 5 /156. RY*( 1) C 6 1.32 1.78 0.043 10. BD ( 1) C 4 - C 5 /157. RY*( 2) C 6 1.36 1.86 0.045 10. BD ( 1) C 4 - C 5 /274. BD*( 1) C 3 - C 4 3.10 1.27 0.056 10. BD ( 1) C 4 - C 5 /275. BD*( 1) C 3 - H 11 2.26 1.13 0.045 10. BD ( 1) C 4 - C 5 /278. BD*( 1) C 4 - H 10 1.23 1.13 0.033 10. BD ( 1) C 4 - C 5 /279. BD*( 1) C 5 - C 6 1.78 1.26 0.042 10. BD ( 1) C 4 - C 5 /280. BD*( 1) C 6 - H 7 3.37 1.13 0.055 11. BD ( 2) C 4 - C 5 / 92. RY*( 3) C 3 1.60 0.65 0.032 11. BD ( 2) C 4 - C 5 /158. RY*( 3) C 6 2.04 0.76 0.039 11. BD ( 2) C 4 - C 5 /269. BD*( 2) C 1 - C 6 20.22 0.28 0.067 11. BD ( 2) C 4 - C 5 /272. BD*( 2) C 2 - C 3 20.35 0.28 0.067 12. BD ( 1) C 4 - H 10 / 90. RY*( 1) C 3 1.50 1.68 0.045 12. BD ( 1) C 4 - H 10 /134. RY*( 1) C 5 1.64 1.54 0.045 12. BD ( 1) C 4 - H 10 /135. RY*( 2) C 5 0.79 1.44 0.030 12. BD ( 1) C 4 - H 10 /271. BD*( 1) C 2 - C 3 4.03 1.08 0.059 12. BD ( 1) C 4 - H 10 /275. BD*( 1) C 3 - H 11 0.57 0.95 0.021 12. BD ( 1) C 4 - H 10 /276. BD*( 1) C 4 - C 5 0.66 1.07 0.024 12. BD ( 1) C 4 - H 10 /279. BD*( 1) C 5 - C 6 3.57 1.07 0.055 13. BD ( 1) C 5 - C 6 / 46. RY*( 1) C 1 1.53 1.86 0.048 13. BD ( 1) C 5 - C 6 / 47. RY*( 2) C 1 1.22 2.05 0.045 13. BD ( 1) C 5 - C 6 /112. RY*( 1) C 4 1.32 1.78 0.043 13. BD ( 1) C 5 - C 6 /113. RY*( 2) C 4 1.36 1.86 0.045 13. BD ( 1) C 5 - C 6 /268. BD*( 1) C 1 - C 6 3.10 1.27 0.056 13. BD ( 1) C 5 - C 6 /270. BD*( 1) C 1 - H 13 2.26 1.13 0.045 13. BD ( 1) C 5 - C 6 /276. BD*( 1) C 4 - C 5 1.78 1.26 0.042 13. BD ( 1) C 5 - C 6 /278. BD*( 1) C 4 - H 10 3.37 1.13 0.055 13. BD ( 1) C 5 - C 6 /280. BD*( 1) C 6 - H 7 1.23 1.13 0.033 14. BD ( 1) C 6 - H 7 / 46. RY*( 1) C 1 1.50 1.68 0.045 14. BD ( 1) C 6 - H 7 /134. RY*( 1) C 5 1.64 1.54 0.045 14. BD ( 1) C 6 - H 7 /135. RY*( 2) C 5 0.79 1.44 0.030 14. BD ( 1) C 6 - H 7 /267. BD*( 1) C 1 - C 2 4.03 1.08 0.059 14. BD ( 1) C 6 - H 7 /270. BD*( 1) C 1 - H 13 0.57 0.95 0.021 14. BD ( 1) C 6 - H 7 /276. BD*( 1) C 4 - C 5 3.57 1.07 0.055 14. BD ( 1) C 6 - H 7 /279. BD*( 1) C 5 - C 6 0.66 1.07 0.024 15. CR ( 1) C 1 / 69. RY*( 2) C 2 1.50 11.42 0.117 15. CR ( 1) C 1 /157. RY*( 2) C 6 1.42 11.19 0.112 15. CR ( 1) C 1 /271. BD*( 1) C 2 - C 3 0.71 10.60 0.078 15. CR ( 1) C 1 /279. BD*( 1) C 5 - C 6 1.08 10.59 0.096 16. CR ( 1) C 2 / 47. RY*( 2) C 1 1.50 11.38 0.117 16. CR ( 1) C 2 / 91. RY*( 2) C 3 1.50 11.38 0.117 16. CR ( 1) C 2 /268. BD*( 1) C 1 - C 6 0.74 10.60 0.080 16. CR ( 1) C 2 /274. BD*( 1) C 3 - C 4 0.74 10.60 0.080 17. CR ( 1) C 3 / 69. RY*( 2) C 2 1.50 11.42 0.117 17. CR ( 1) C 3 /113. RY*( 2) C 4 1.42 11.19 0.112 17. CR ( 1) C 3 /267. BD*( 1) C 1 - C 2 0.71 10.60 0.078 17. CR ( 1) C 3 /276. BD*( 1) C 4 - C 5 1.08 10.59 0.096 18. CR ( 1) C 4 / 91. RY*( 2) C 3 1.54 11.38 0.118 18. CR ( 1) C 4 /135. RY*( 2) C 5 1.15 10.96 0.100 18. CR ( 1) C 4 /271. BD*( 1) C 2 - C 3 0.71 10.60 0.078 18. CR ( 1) C 4 /279. BD*( 1) C 5 - C 6 0.60 10.59 0.072 19. CR ( 1) C 5 /113. RY*( 2) C 4 1.74 11.18 0.125 19. CR ( 1) C 5 /157. RY*( 2) C 6 1.74 11.18 0.125 19. CR ( 1) C 5 /268. BD*( 1) C 1 - C 6 0.83 10.59 0.084 19. CR ( 1) C 5 /274. BD*( 1) C 3 - C 4 0.83 10.59 0.084 20. CR ( 1) C 6 / 47. RY*( 2) C 1 1.54 11.38 0.118 20. CR ( 1) C 6 /135. RY*( 2) C 5 1.15 10.96 0.100 20. CR ( 1) C 6 /267. BD*( 1) C 1 - C 2 0.71 10.60 0.078 20. CR ( 1) C 6 /276. BD*( 1) C 4 - C 5 0.60 10.59 0.072 40. LP ( 1) C 5 /112. RY*( 1) C 4 2.26 1.39 0.054 40. LP ( 1) C 5 /113. RY*( 2) C 4 0.65 1.47 0.030 40. LP ( 1) C 5 /156. RY*( 1) C 6 2.26 1.39 0.054 40. LP ( 1) C 5 /157. RY*( 2) C 6 0.65 1.47 0.030 40. LP ( 1) C 5 /268. BD*( 1) C 1 - C 6 7.94 0.87 0.080 40. LP ( 1) C 5 /274. BD*( 1) C 3 - C 4 7.94 0.87 0.080 40. LP ( 1) C 5 /278. BD*( 1) C 4 - H 10 2.37 0.74 0.040 40. LP ( 1) C 5 /280. BD*( 1) C 6 - H 7 2.37 0.74 0.040 269. BD*( 2) C 1 - C 6 / 48. RY*( 3) C 1 2.74 0.41 0.074 269. BD*( 2) C 1 - C 6 / 66. RY*( 21) C 1 0.80 0.41 0.040 269. BD*( 2) C 1 - C 6 /158. RY*( 3) C 6 1.27 0.48 0.054 269. BD*( 2) C 1 - C 6 /177. RY*( 22) C 6 0.62 0.38 0.034 272. BD*( 2) C 2 - C 3 / 70. RY*( 3) C 2 2.80 0.36 0.069 272. BD*( 2) C 2 - C 3 / 84. RY*( 17) C 2 0.69 0.39 0.036 272. BD*( 2) C 2 - C 3 / 92. RY*( 3) C 3 2.13 0.38 0.062 272. BD*( 2) C 2 - C 3 /106. RY*( 17) C 3 0.72 0.41 0.038 277. BD*( 2) C 4 - C 5 /114. RY*( 3) C 4 2.71 0.54 0.084 277. BD*( 2) C 4 - C 5 /133. RY*( 22) C 4 0.61 0.40 0.034 277. BD*( 2) C 4 - C 5 /137. RY*( 4) C 5 2.34 0.44 0.069 277. BD*( 2) C 4 - C 5 /158. RY*( 3) C 6 0.61 0.48 0.037 from unit 1 to unit 2 2. BD ( 1) C 1 - C 6 / 41. LP*( 1)Mg 8 0.23 0.65 0.012 8. BD ( 1) C 3 - C 4 / 41. LP*( 1)Mg 8 0.23 0.65 0.012 10. BD ( 1) C 4 - C 5 / 41. LP*( 1)Mg 8 1.35 0.65 0.029 10. BD ( 1) C 4 - C 5 /187. RY*( 5)Mg 8 0.07 1.18 0.008 10. BD ( 1) C 4 - C 5 /189. RY*( 7)Mg 8 0.05 2.78 0.011 11. BD ( 2) C 4 - C 5 /183. RY*( 1)Mg 8 0.73 0.35 0.016 11. BD ( 2) C 4 - C 5 /186. RY*( 4)Mg 8 0.72 0.92 0.025 11. BD ( 2) C 4 - C 5 /196. RY*( 14)Mg 8 0.10 0.56 0.007 12. BD ( 1) C 4 - H 10 / 41. LP*( 1)Mg 8 0.08 0.46 0.006 12. BD ( 1) C 4 - H 10 /184. RY*( 2)Mg 8 0.06 1.14 0.007 13. BD ( 1) C 5 - C 6 / 41. LP*( 1)Mg 8 1.35 0.65 0.029 13. BD ( 1) C 5 - C 6 /187. RY*( 5)Mg 8 0.07 1.18 0.008 13. BD ( 1) C 5 - C 6 /189. RY*( 7)Mg 8 0.05 2.78 0.011 14. BD ( 1) C 6 - H 7 / 41. LP*( 1)Mg 8 0.08 0.46 0.006 14. BD ( 1) C 6 - H 7 /184. RY*( 2)Mg 8 0.06 1.14 0.007 19. CR ( 1) C 5 / 41. LP*( 1)Mg 8 0.97 9.97 0.098 40. LP ( 1) C 5 / 41. LP*( 1)Mg 8 72.61 0.26 0.126 40. LP ( 1) C 5 /184. RY*( 2)Mg 8 1.28 0.93 0.033 40. LP ( 1) C 5 /187. RY*( 5)Mg 8 0.19 0.79 0.012 40. LP ( 1) C 5 /189. RY*( 7)Mg 8 4.06 2.39 0.095 40. LP ( 1) C 5 /192. RY*( 10)Mg 8 0.37 1.07 0.019 40. LP ( 1) C 5 /193. RY*( 11)Mg 8 1.01 1.10 0.032 40. LP ( 1) C 5 /194. RY*( 12)Mg 8 1.24 1.90 0.047 40. LP ( 1) C 5 /195. RY*( 13)Mg 8 1.64 1.43 0.047 40. LP ( 1) C 5 /199. RY*( 17)Mg 8 0.19 0.88 0.013 40. LP ( 1) C 5 /204. RY*( 22)Mg 8 2.12 100.14 0.444 40. LP ( 1) C 5 /207. RY*( 25)Mg 8 0.13 0.67 0.009 40. LP ( 1) C 5 /208. RY*( 26)Mg 8 0.91 1.50 0.036 40. LP ( 1) C 5 /211. RY*( 29)Mg 8 3.84 3.65 0.114 277. BD*( 2) C 4 - C 5 /183. RY*( 1)Mg 8 0.71 0.08 0.016 277. BD*( 2) C 4 - C 5 /186. RY*( 4)Mg 8 0.09 0.65 0.017 from unit 1 to unit 3 40. LP ( 1) C 5 /212. RY*( 1)Br 9 0.13 0.70 0.009 40. LP ( 1) C 5 /214. RY*( 3)Br 9 0.16 0.90 0.012 40. LP ( 1) C 5 /215. RY*( 4)Br 9 0.05 1.07 0.007 from unit 2 to unit 1 21. CR ( 1)Mg 8 /276. BD*( 1) C 4 - C 5 0.05 46.92 0.044 21. CR ( 1)Mg 8 /279. BD*( 1) C 5 - C 6 0.05 46.92 0.044 22. CR ( 2)Mg 8 /134. RY*( 1) C 5 0.07 4.60 0.016 22. CR ( 2)Mg 8 /136. RY*( 3) C 5 0.07 4.23 0.015 22. CR ( 2)Mg 8 /276. BD*( 1) C 4 - C 5 0.46 4.13 0.039 22. CR ( 2)Mg 8 /279. BD*( 1) C 5 - C 6 0.46 4.13 0.039 23. CR ( 3)Mg 8 /277. BD*( 2) C 4 - C 5 0.20 1.90 0.019 24. CR ( 4)Mg 8 /276. BD*( 1) C 4 - C 5 0.12 2.44 0.015 24. CR ( 4)Mg 8 /279. BD*( 1) C 5 - C 6 0.12 2.44 0.015 25. CR ( 5)Mg 8 /276. BD*( 1) C 4 - C 5 0.07 2.42 0.012 25. CR ( 5)Mg 8 /279. BD*( 1) C 5 - C 6 0.07 2.42 0.012 41. LP*( 1)Mg 8 /119. RY*( 8) C 4 0.12 1.85 0.030 41. LP*( 1)Mg 8 /129. RY*( 18) C 4 0.09 2.91 0.032 41. LP*( 1)Mg 8 /134. RY*( 1) C 5 0.29 1.08 0.035 41. LP*( 1)Mg 8 /136. RY*( 3) C 5 0.19 0.71 0.023 41. LP*( 1)Mg 8 /141. RY*( 8) C 5 0.10 1.45 0.024 41. LP*( 1)Mg 8 /143. RY*( 10) C 5 0.06 2.35 0.024 41. LP*( 1)Mg 8 /145. RY*( 12) C 5 1.21 1.72 0.091 41. LP*( 1)Mg 8 /152. RY*( 19) C 5 0.06 2.31 0.024 41. LP*( 1)Mg 8 /155. RY*( 22) C 5 0.13 2.62 0.037 41. LP*( 1)Mg 8 /163. RY*( 8) C 6 0.12 1.85 0.030 41. LP*( 1)Mg 8 /173. RY*( 18) C 6 0.09 2.91 0.032 41. LP*( 1)Mg 8 /178. RY*( 1) H 7 0.11 1.16 0.023 41. LP*( 1)Mg 8 /247. RY*( 1) H 10 0.11 1.16 0.023 41. LP*( 1)Mg 8 /276. BD*( 1) C 4 - C 5 0.40 0.61 0.030 41. LP*( 1)Mg 8 /278. BD*( 1) C 4 - H 10 0.21 0.48 0.020 41. LP*( 1)Mg 8 /279. BD*( 1) C 5 - C 6 0.40 0.61 0.030 41. LP*( 1)Mg 8 /280. BD*( 1) C 6 - H 7 0.21 0.48 0.020 within unit 2 21. CR ( 1)Mg 8 / 41. LP*( 1)Mg 8 0.67 46.31 0.175 22. CR ( 2)Mg 8 / 41. LP*( 1)Mg 8 4.80 3.52 0.130 41. LP*( 1)Mg 8 /184. RY*( 2)Mg 8 0.53 0.67 0.037 41. LP*( 1)Mg 8 /189. RY*( 7)Mg 8 6.10 2.13 0.226 41. LP*( 1)Mg 8 /192. RY*( 10)Mg 8 1.51 0.81 0.070 41. LP*( 1)Mg 8 /193. RY*( 11)Mg 8 1.76 0.84 0.076 41. LP*( 1)Mg 8 /194. RY*( 12)Mg 8 2.08 1.64 0.116 41. LP*( 1)Mg 8 /195. RY*( 13)Mg 8 3.14 1.17 0.121 41. LP*( 1)Mg 8 /204. RY*( 22)Mg 8 3.37 99.88 1.152 41. LP*( 1)Mg 8 /208. RY*( 26)Mg 8 1.75 1.24 0.092 41. LP*( 1)Mg 8 /211. RY*( 29)Mg 8 6.61 3.39 0.297 from unit 2 to unit 3 22. CR ( 2)Mg 8 /214. RY*( 3)Br 9 0.07 4.16 0.016 41. LP*( 1)Mg 8 /212. RY*( 1)Br 9 2.51 0.44 0.066 41. LP*( 1)Mg 8 /214. RY*( 3)Br 9 0.70 0.64 0.042 41. LP*( 1)Mg 8 /215. RY*( 4)Br 9 0.15 0.81 0.022 41. LP*( 1)Mg 8 /228. RY*( 17)Br 9 0.17 0.38 0.016 41. LP*( 1)Mg 8 /230. RY*( 19)Br 9 0.05 13.06 0.053 from unit 3 to unit 1 45. LP ( 4)Br 9 /119. RY*( 8) C 4 0.06 2.20 0.010 45. LP ( 4)Br 9 /134. RY*( 1) C 5 0.95 1.43 0.034 45. LP ( 4)Br 9 /136. RY*( 3) C 5 0.38 1.06 0.019 45. LP ( 4)Br 9 /143. RY*( 10) C 5 0.07 2.69 0.013 45. LP ( 4)Br 9 /145. RY*( 12) C 5 0.55 2.07 0.032 45. LP ( 4)Br 9 /152. RY*( 19) C 5 0.07 2.66 0.013 45. LP ( 4)Br 9 /163. RY*( 8) C 6 0.06 2.20 0.010 from unit 3 to unit 2 26. CR ( 1)Br 9 / 41. LP*( 1)Mg 8 0.12 481.02 0.240 27. CR ( 2)Br 9 / 41. LP*( 1)Mg 8 0.71 61.47 0.209 28. CR ( 3)Br 9 / 41. LP*( 1)Mg 8 3.03 10.99 0.182 34. CR ( 9)Br 9 / 41. LP*( 1)Mg 8 0.16 22.29 0.060 42. LP ( 1)Br 9 / 41. LP*( 1)Mg 8 6.71 0.84 0.075 42. LP ( 1)Br 9 /189. RY*( 7)Mg 8 0.22 2.97 0.023 42. LP ( 1)Br 9 /194. RY*( 12)Mg 8 0.07 2.48 0.012 42. LP ( 1)Br 9 /204. RY*( 22)Mg 8 0.07 100.71 0.077 42. LP ( 1)Br 9 /211. RY*( 29)Mg 8 0.10 4.22 0.018 43. LP ( 2)Br 9 /183. RY*( 1)Mg 8 2.81 0.39 0.030 43. LP ( 2)Br 9 /186. RY*( 4)Mg 8 0.67 0.97 0.023 43. LP ( 2)Br 9 /198. RY*( 16)Mg 8 0.14 0.95 0.010 44. LP ( 3)Br 9 /185. RY*( 3)Mg 8 3.30 0.47 0.035 44. LP ( 3)Br 9 /191. RY*( 9)Mg 8 0.09 1.29 0.010 44. LP ( 3)Br 9 /206. RY*( 24)Mg 8 0.28 0.97 0.015 45. LP ( 4)Br 9 / 41. LP*( 1)Mg 8 67.23 0.35 0.145 45. LP ( 4)Br 9 /184. RY*( 2)Mg 8 5.33 1.02 0.069 45. LP ( 4)Br 9 /189. RY*( 7)Mg 8 3.26 2.48 0.084 45. LP ( 4)Br 9 /192. RY*( 10)Mg 8 1.93 1.16 0.044 45. LP ( 4)Br 9 /193. RY*( 11)Mg 8 0.32 1.19 0.018 45. LP ( 4)Br 9 /194. RY*( 12)Mg 8 1.10 1.99 0.044 45. LP ( 4)Br 9 /195. RY*( 13)Mg 8 0.96 1.52 0.036 45. LP ( 4)Br 9 /204. RY*( 22)Mg 8 2.01 100.22 0.420 45. LP ( 4)Br 9 /208. RY*( 26)Mg 8 1.11 1.59 0.039 45. LP ( 4)Br 9 /211. RY*( 29)Mg 8 3.57 3.73 0.108 within unit 3 45. LP ( 4)Br 9 /212. RY*( 1)Br 9 1.36 0.79 0.031 45. LP ( 4)Br 9 /214. RY*( 3)Br 9 0.77 0.99 0.026 Natural Bond Orbitals (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) ==================================================================================== Molecular unit 1 (C6H5) 1. BD ( 1) C 1 - C 2 1.97917 -0.69846 268(g),271(g),275(v),280(v) 91(v),156(v),90(v),273(g) 270(g),157(v),159(v) 2. BD ( 1) C 1 - C 6 1.97974 -0.69884 279(g),267(g),273(v),69(v) 68(v),270(g),134(v),280(g) 135(v),41(r) 3. BD ( 2) C 1 - C 6 1.66716 -0.25166 272(v),277(v),137(v),70(v) 4. BD ( 1) C 1 - H 13 1.97808 -0.51499 279(v),271(v),68(v),156(v) 157(v),268(g),280(v),267(g) 5. BD ( 1) C 2 - C 3 1.97917 -0.69846 274(g),267(g),270(v),278(v) 47(v),112(v),46(v),273(g) 275(g),113(v),115(v) 6. BD ( 2) C 2 - C 3 1.65873 -0.25169 277(v),269(v),48(v) 7. BD ( 1) C 2 - H 12 1.97941 -0.51709 268(v),274(v),46(v),90(v) 267(g),271(g) 8. BD ( 1) C 3 - C 4 1.97974 -0.69884 276(g),271(g),273(v),69(v) 68(v),275(g),134(v),278(g) 135(v),41(r) 9. BD ( 1) C 3 - H 11 1.97808 -0.51499 276(v),267(v),68(v),112(v) 113(v),274(g),278(v),271(g) 10. BD ( 1) C 4 - C 5 1.97871 -0.69840 280(v),274(g),275(v),279(g) 41(r),90(v),157(v),156(v) 278(g),91(v),187(r),189(r) 11. BD ( 2) C 4 - C 5 1.65994 -0.24701 272(v),269(v),158(v),92(v) 183(r),186(r),196(r) 12. BD ( 1) C 4 - H 10 1.97903 -0.51202 271(v),279(v),134(v),90(v) 135(v),276(g),275(v),41(r) 184(r) 13. BD ( 1) C 5 - C 6 1.97871 -0.69840 278(v),268(g),270(v),276(g) 41(r),46(v),113(v),112(v) 280(g),47(v),187(r),189(r) 14. BD ( 1) C 6 - H 7 1.97903 -0.51202 267(v),276(v),134(v),46(v) 135(v),279(g),270(v),41(r) 184(r) 15. CR ( 1) C 1 1.99912 -10.02907 69(v),157(v),279(v),271(v) 16. CR ( 1) C 2 1.99915 -10.03084 47(v),91(v),268(v),274(v) 17. CR ( 1) C 3 1.99912 -10.02907 69(v),113(v),276(v),267(v) 18. CR ( 1) C 4 1.99917 -10.03070 91(v),135(v),271(v),279(v) 19. CR ( 1) C 5 1.99912 -10.01980 113(v),157(v),41(r),268(v) 274(v) 20. CR ( 1) C 6 1.99917 -10.03070 47(v),135(v),267(v),276(v) 40. LP ( 1) C 5 1.71452 -0.30823 41(r),268(v),274(v),189(r) 211(r),278(v),280(v),112(v) 156(v),204(r),195(r),184(r) 194(r),193(r),208(r),113(v) 157(v),192(r),199(r),187(r) 214(r),212(r),207(r),215(r) 46. RY*( 1) C 1 0.00768 1.16362 47. RY*( 2) C 1 0.00215 1.35173 48. RY*( 3) C 1 0.00116 0.44247 49. RY*( 4) C 1 0.00097 1.42472 50. RY*( 5) C 1 0.00063 1.72990 51. RY*( 6) C 1 0.00037 2.85125 52. RY*( 7) C 1 0.00016 1.66018 53. RY*( 8) C 1 0.00010 1.96678 54. RY*( 9) C 1 0.00007 1.81215 55. RY*( 10) C 1 0.00007 2.11728 56. RY*( 11) C 1 0.00002 1.89658 57. RY*( 12) C 1 0.00003 2.06491 58. RY*( 13) C 1 0.00000 1.96174 59. RY*( 14) C 1 0.00000 1.86846 60. RY*( 15) C 1 0.00000 20.25272 61. RY*( 16) C 1 0.00000 1.99722 62. RY*( 17) C 1 0.00001 2.68943 63. RY*( 18) C 1 0.00000 2.92874 64. RY*( 19) C 1 0.00001 2.97429 65. RY*( 20) C 1 0.00000 3.25613 66. RY*( 21) C 1 0.00000 0.43806 67. RY*( 22) C 1 0.00000 2.78517 68. RY*( 1) C 2 0.00661 1.26542 69. RY*( 2) C 2 0.00215 1.39545 70. RY*( 3) C 2 0.00123 0.38712 71. RY*( 4) C 2 0.00085 1.41134 72. RY*( 5) C 2 0.00057 1.65608 73. RY*( 6) C 2 0.00037 2.99656 74. RY*( 7) C 2 0.00013 2.46873 75. RY*( 8) C 2 0.00011 2.01656 76. RY*( 9) C 2 0.00006 2.34245 77. RY*( 10) C 2 0.00005 1.34235 78. RY*( 11) C 2 0.00003 2.60000 79. RY*( 12) C 2 0.00000 3.16903 80. RY*( 13) C 2 0.00000 20.22084 81. RY*( 14) C 2 0.00000 1.48221 82. RY*( 15) C 2 0.00000 1.37929 83. RY*( 16) C 2 0.00000 2.86874 84. RY*( 17) C 2 0.00000 0.42314 85. RY*( 18) C 2 0.00001 2.24522 86. RY*( 19) C 2 0.00000 2.79225 87. RY*( 20) C 2 0.00000 3.21129 88. RY*( 21) C 2 0.00000 0.72399 89. RY*( 22) C 2 0.00000 3.29771 90. RY*( 1) C 3 0.00768 1.16362 91. RY*( 2) C 3 0.00215 1.35173 92. RY*( 3) C 3 0.00112 0.40623 93. RY*( 4) C 3 0.00097 1.42472 94. RY*( 5) C 3 0.00063 1.72990 95. RY*( 6) C 3 0.00038 2.88786 96. RY*( 7) C 3 0.00016 1.66018 97. RY*( 8) C 3 0.00010 1.96678 98. RY*( 9) C 3 0.00007 1.53564 99. RY*( 10) C 3 0.00007 2.39379 100. RY*( 11) C 3 0.00003 2.15618 101. RY*( 12) C 3 0.00002 1.78044 102. RY*( 13) C 3 0.00000 1.86693 103. RY*( 14) C 3 0.00000 1.96250 104. RY*( 15) C 3 0.00000 19.50813 105. RY*( 16) C 3 0.00000 1.99825 106. RY*( 17) C 3 0.00000 0.43797 107. RY*( 18) C 3 0.00000 2.95045 108. RY*( 19) C 3 0.00000 2.78497 109. RY*( 20) C 3 0.00000 3.43107 110. RY*( 21) C 3 0.00001 3.52189 111. RY*( 22) C 3 0.00001 2.71464 112. RY*( 1) C 4 0.00860 1.07901 113. RY*( 2) C 4 0.00317 1.16091 114. RY*( 3) C 4 0.00131 0.57082 115. RY*( 4) C 4 0.00103 1.27081 116. RY*( 5) C 4 0.00057 1.87761 117. RY*( 6) C 4 0.00039 2.56977 118. RY*( 7) C 4 0.00017 2.16050 119. RY*( 8) C 4 0.00016 1.79940 120. RY*( 9) C 4 0.00005 1.68983 121. RY*( 10) C 4 0.00004 2.25226 122. RY*( 11) C 4 0.00001 2.60974 123. RY*( 12) C 4 0.00001 1.89424 124. RY*( 13) C 4 0.00000 1.51255 125. RY*( 14) C 4 0.00000 2.36674 126. RY*( 15) C 4 0.00000 19.94378 127. RY*( 16) C 4 0.00000 2.08215 128. RY*( 17) C 4 0.00001 2.43881 129. RY*( 18) C 4 0.00001 2.86362 130. RY*( 19) C 4 0.00000 2.78717 131. RY*( 20) C 4 0.00001 3.37407 132. RY*( 21) C 4 0.00001 2.95048 133. RY*( 22) C 4 0.00000 0.42350 134. RY*( 1) C 5 0.00815 1.03183 135. RY*( 2) C 5 0.00341 0.93279 136. RY*( 3) C 5 0.00221 0.66340 137. RY*( 4) C 5 0.00137 0.46227 138. RY*( 5) C 5 0.00047 1.53701 139. RY*( 6) C 5 0.00047 1.72726 140. RY*( 7) C 5 0.00037 2.99261 141. RY*( 8) C 5 0.00017 1.40359 142. RY*( 9) C 5 0.00009 1.55520 143. RY*( 10) C 5 0.00006 2.29756 144. RY*( 11) C 5 0.00006 3.18542 145. RY*( 12) C 5 0.00003 1.67216 146. RY*( 13) C 5 0.00003 2.51906 147. RY*( 14) C 5 0.00001 1.75747 148. RY*( 15) C 5 0.00000 0.84058 149. RY*( 16) C 5 0.00000 3.25081 150. RY*( 17) C 5 0.00000 1.90674 151. RY*( 18) C 5 0.00000 22.59400 152. RY*( 19) C 5 0.00000 2.26566 153. RY*( 20) C 5 0.00000 3.56818 154. RY*( 21) C 5 0.00000 1.48927 155. RY*( 22) C 5 0.00001 2.57268 156. RY*( 1) C 6 0.00860 1.07901 157. RY*( 2) C 6 0.00317 1.16091 158. RY*( 3) C 6 0.00120 0.51008 159. RY*( 4) C 6 0.00103 1.27081 160. RY*( 5) C 6 0.00057 1.87761 161. RY*( 6) C 6 0.00042 2.63161 162. RY*( 7) C 6 0.00017 2.16050 163. RY*( 8) C 6 0.00016 1.79940 164. RY*( 9) C 6 0.00005 1.68983 165. RY*( 10) C 6 0.00004 2.25226 166. RY*( 11) C 6 0.00001 2.60975 167. RY*( 12) C 6 0.00001 1.89424 168. RY*( 13) C 6 0.00000 1.38472 169. RY*( 14) C 6 0.00000 2.54620 170. RY*( 15) C 6 0.00000 19.94378 171. RY*( 16) C 6 0.00000 2.05044 172. RY*( 17) C 6 0.00001 2.43881 173. RY*( 18) C 6 0.00001 2.86363 174. RY*( 19) C 6 0.00000 2.78443 175. RY*( 20) C 6 0.00001 3.37407 176. RY*( 21) C 6 0.00001 2.95048 177. RY*( 22) C 6 0.00000 0.40631 178. RY*( 1) H 7 0.00054 1.11466 179. RY*( 2) H 7 0.00022 1.89157 180. RY*( 3) H 7 0.00017 2.16378 181. RY*( 4) H 7 0.00007 2.50894 182. RY*( 5) H 7 0.00004 2.71687 247. RY*( 1) H 10 0.00054 1.11466 248. RY*( 2) H 10 0.00022 1.89157 249. RY*( 3) H 10 0.00017 2.16378 250. RY*( 4) H 10 0.00007 2.50894 251. RY*( 5) H 10 0.00004 2.71687 252. RY*( 1) H 11 0.00057 1.09358 253. RY*( 2) H 11 0.00020 1.91448 254. RY*( 3) H 11 0.00016 2.16029 255. RY*( 4) H 11 0.00006 2.54243 256. RY*( 5) H 11 0.00004 2.69472 257. RY*( 1) H 12 0.00048 1.11208 258. RY*( 2) H 12 0.00020 1.91379 259. RY*( 3) H 12 0.00018 2.14677 260. RY*( 4) H 12 0.00005 2.54656 261. RY*( 5) H 12 0.00004 2.64027 262. RY*( 1) H 13 0.00057 1.09358 263. RY*( 2) H 13 0.00020 1.91448 264. RY*( 3) H 13 0.00016 2.16029 265. RY*( 4) H 13 0.00006 2.54243 266. RY*( 5) H 13 0.00004 2.69472 267. BD*( 1) C 1 - C 2 0.01679 0.57158 268. BD*( 1) C 1 - C 6 0.02526 0.56675 269. BD*( 2) C 1 - C 6 0.32972 0.02922 272(v),277(v),48(g),158(g) 66(g),177(g) 270. BD*( 1) C 1 - H 13 0.01467 0.43332 271. BD*( 1) C 2 - C 3 0.01679 0.57158 272. BD*( 2) C 2 - C 3 0.33086 0.02948 269(v),277(v),70(g),92(g) 106(g),84(g) 273. BD*( 1) C 2 - H 12 0.01446 0.43307 274. BD*( 1) C 3 - C 4 0.02526 0.56675 275. BD*( 1) C 3 - H 11 0.01467 0.43332 276. BD*( 1) C 4 - C 5 0.01674 0.55806 277. BD*( 2) C 4 - C 5 0.33581 0.02615 269(v),272(v),114(g),137(g) 183(r),158(v),133(g),186(r) 278. BD*( 1) C 4 - H 10 0.01900 0.43053 279. BD*( 1) C 5 - C 6 0.01674 0.55806 280. BD*( 1) C 6 - H 7 0.01900 0.43053 ------------------------------- Total Lewis 40.46409 ( 96.9155%) Valence non-Lewis 1.19576 ( 2.8640%) Rydberg non-Lewis 0.09208 ( 0.2205%) ------------------------------- Total unit 1 41.75193 (100.0000%) Charge unit 1 -0.75193 Molecular unit 2 (Mg) 21. CR ( 1)Mg 8 2.00000 -46.35960 41(g),276(r),279(r) 22. CR ( 2)Mg 8 1.99920 -3.56897 41(g),276(r),279(r),214(r) 134(r),136(r) 23. CR ( 3)Mg 8 1.99978 -1.87790 277(r) 24. CR ( 4)Mg 8 1.99979 -1.87843 276(r),279(r) 25. CR ( 5)Mg 8 1.99954 -1.86508 276(r),279(r) 41. LP*( 1)Mg 8 0.40368 -0.04839 211(g),189(g),204(g),195(g) 212(r),194(g),193(g),208(g) 192(g),145(r),214(r),184(g) 276(r),279(r),134(r),278(r) 280(r),136(r),228(r),215(r) 155(r),119(r),163(r),178(r) 247(r),141(r),129(r),173(r) 143(r),152(r),230(r) 183. RY*( 1)Mg 8 0.01731 0.10147 184. RY*( 2)Mg 8 0.01577 0.62372 185. RY*( 3)Mg 8 0.01397 0.17778 186. RY*( 4)Mg 8 0.00327 0.67762 187. RY*( 5)Mg 8 0.00030 0.48147 188. RY*( 6)Mg 8 0.00029 0.18601 189. RY*( 7)Mg 8 0.00023 2.08146 190. RY*( 8)Mg 8 0.00018 0.48939 191. RY*( 9)Mg 8 0.00013 1.00517 192. RY*( 10)Mg 8 0.00010 0.76240 193. RY*( 11)Mg 8 0.00006 0.79286 194. RY*( 12)Mg 8 0.00006 1.59132 195. RY*( 13)Mg 8 0.00003 1.12463 196. RY*( 14)Mg 8 0.00002 0.30998 197. RY*( 15)Mg 8 0.00003 0.65715 198. RY*( 16)Mg 8 0.00001 0.65827 199. RY*( 17)Mg 8 0.00001 0.57537 200. RY*( 18)Mg 8 0.00000 1.34200 201. RY*( 19)Mg 8 0.00000 5.68182 202. RY*( 20)Mg 8 0.00000 0.75396 203. RY*( 21)Mg 8 0.00000 4.57306 204. RY*( 22)Mg 8 0.00000 99.82703 205. RY*( 23)Mg 8 0.00000 0.54424 206. RY*( 24)Mg 8 0.00001 0.68645 207. RY*( 25)Mg 8 0.00001 0.36341 208. RY*( 26)Mg 8 0.00000 1.19071 209. RY*( 27)Mg 8 0.00000 1.05753 210. RY*( 28)Mg 8 0.00000 4.84217 211. RY*( 29)Mg 8 0.00000 3.33783 ------------------------------- Total Lewis 9.99831 ( 95.6430%) Valence non-Lewis 0.40368 ( 3.8616%) Rydberg non-Lewis 0.05179 ( 0.4954%) ------------------------------- Total unit 2 10.45378 (100.0000%) Charge unit 2 1.54622 Molecular unit 3 (Br) 26. CR ( 1)Br 9 2.00000 -481.07160 41(r) 27. CR ( 2)Br 9 2.00000 -61.51551 41(r) 28. CR ( 3)Br 9 1.99995 -11.04267 41(r) 29. CR ( 4)Br 9 2.00000 -40.39890 30. CR ( 5)Br 9 1.99999 -22.33182 31. CR ( 6)Br 9 2.00000 -40.39893 32. CR ( 7)Br 9 1.99999 -22.33187 33. CR ( 8)Br 9 1.99999 -40.40050 34. CR ( 9)Br 9 1.99998 -22.33508 41(r) 35. CR ( 10)Br 9 1.99999 -2.58947 36. CR ( 11)Br 9 1.99996 -2.59265 37. CR ( 12)Br 9 1.99996 -2.59270 38. CR ( 13)Br 9 1.99999 -2.58947 39. CR ( 14)Br 9 1.99994 -2.59389 42. LP ( 1)Br 9 1.99949 -0.88380 41(r),189(r),211(r),204(r) 194(r) 43. LP ( 2)Br 9 1.98621 -0.28809 183(r),186(r),198(r) 44. LP ( 3)Br 9 1.98544 -0.28827 185(r),206(r),191(r) 45. LP ( 4)Br 9 1.82289 -0.39659 41(r),184(r),211(r),189(r) 204(r),192(r),212(g),208(r) 194(r),195(r),134(r),214(g) 145(r),136(r),193(r),143(r) 152(r),119(r),163(r) 212. RY*( 1)Br 9 0.00026 0.38972 213. RY*( 2)Br 9 0.00010 1.09757 214. RY*( 3)Br 9 0.00006 0.59415 215. RY*( 4)Br 9 0.00004 0.76096 216. RY*( 5)Br 9 0.00000 960.67989 217. RY*( 6)Br 9 0.00001 0.18891 218. RY*( 7)Br 9 0.00001 0.67663 219. RY*( 8)Br 9 0.00000 2.87387 220. RY*( 9)Br 9 0.00000 13.11246 221. RY*( 10)Br 9 0.00000 283.05914 222. RY*( 11)Br 9 0.00001 0.38880 223. RY*( 12)Br 9 0.00000 0.33809 224. RY*( 13)Br 9 0.00000 3.17353 225. RY*( 14)Br 9 0.00000 13.01611 226. RY*( 15)Br 9 0.00000 283.05691 227. RY*( 16)Br 9 0.00000 18.17919 228. RY*( 17)Br 9 0.00000 0.32902 229. RY*( 18)Br 9 0.00000 3.43809 230. RY*( 19)Br 9 0.00000 13.00715 231. RY*( 20)Br 9 0.00000 283.05052 232. RY*( 21)Br 9 0.00000 0.34676 233. RY*( 22)Br 9 0.00000 2.55025 234. RY*( 23)Br 9 0.00000 5.48797 235. RY*( 24)Br 9 0.00000 0.50855 236. RY*( 25)Br 9 0.00000 2.20083 237. RY*( 26)Br 9 0.00000 5.50878 238. RY*( 27)Br 9 0.00001 0.48751 239. RY*( 28)Br 9 0.00000 2.68631 240. RY*( 29)Br 9 0.00000 5.47038 241. RY*( 30)Br 9 0.00000 0.35087 242. RY*( 31)Br 9 0.00000 2.55462 243. RY*( 32)Br 9 0.00000 5.48778 244. RY*( 33)Br 9 0.00000 96.53827 245. RY*( 34)Br 9 0.00000 2.78359 246. RY*( 35)Br 9 0.00000 5.47657 ------------------------------- Total Lewis 35.79377 ( 99.9986%) Valence non-Lewis 0.00000 ( 0.0000%) Rydberg non-Lewis 0.00051 ( 0.0014%) ------------------------------- Total unit 3 35.79429 (100.0000%) Charge unit 3 -0.79429 Unable to Open any file for archive entry. 1\1\GINC-COMPUTE-0-0\SP\RB3LYP\6-311+G(2d,p)\C6H5Br1Mg1\BESSELMAN\10-M ar-2024\0\\#N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead) Geom=C onnectivity\\C6H5MgBr phenylmagnesium bromide\\0,1\C\C,1,1.390657932\C ,2,1.390657932,1,119.56469\C,3,1.392927331,2,119.9765717,1,0.,0\C,4,1. 405974868,3,121.9709313,2,0.,0\C,1,1.392927331,2,119.9765717,3,0.,0\H, 6,1.086871329,1,117.6349701,2,180.,0\Mg,5,2.072029,6,121.729848,1,180. ,0\Br,8,2.352454,6,156.9578199,1,180.,0\H,4,1.086871329,5,120.3940986, 6,180.,0\H,3,1.084523219,4,120.0311724,5,180.,0\H,2,1.083966,1,120.217 655,6,180.,0\H,1,1.084523219,2,119.9922559,3,180.,0\\Version=ES64L-G16 RevC.01\State=1-A1\HF=-3006.0296953\RMSD=5.286e-09\Dipole=-0.7459677,0 .,0.4344713\Quadrupole=-2.8088342,0.0822573,2.7265769,0.,4.8790415,0.\ PG=C02V [C2(H1C1C1Mg1Br1),SGV(C4H4)]\\@ The archive entry for this job was punched. DIATOMIC MOLECULES ARE PECULIAR BECAUSE THEY ONLY HAVE TWO ENDS, AND THESE ENDS ARE VERY CLOSE TOGETHER. KLAUS RUEDENBERG, REV.MOD.PHYS. PG 176, 32, (1960) Job cpu time: 0 days 0 hours 1 minutes 24.2 seconds. Elapsed time: 0 days 0 hours 1 minutes 24.6 seconds. File lengths (MBytes): RWF= 46 Int= 0 D2E= 0 Chk= 6 Scr= 1 Normal termination of Gaussian 16 at Sun Mar 10 09:29:26 2024.