Entering Gaussian System, Link 0=/share/apps/gaussian/g16/g16 Initial command: /share/apps/gaussian/g16/l1.exe "/scratch/webmo-1704971/33202/Gau-1462125.inp" -scrdir="/scratch/webmo-1704971/33202/" Entering Link 1 = /share/apps/gaussian/g16/l1.exe PID= 1462126. 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 16-Mar-2023 ****************************************** -------------------------------------------- #N B3LYP/6-311+G(2d,p) NMR 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=2,25=1,30=1,74=-5/1,2,3,8; 4//1; 5/5=2,38=5/2; 8/6=1,10=90,11=11/1; 10/13=100,45=16/2; 6/7=2,8=2,9=2,10=2,28=1/1; 99/9=1/99; ------------------------------------- C15H15O2N imine o-vanilin p-toluidine ------------------------------------- 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 5 B5 4 A4 3 D3 0 C 2 B6 3 A5 4 D4 0 H 7 B7 2 A6 3 D5 0 H 6 B8 7 A7 2 D6 0 N 5 B9 4 A8 3 D7 0 C 10 B10 5 A9 4 D8 0 C 11 B11 10 A10 5 D9 0 C 12 B12 11 A11 10 D10 0 C 13 B13 12 A12 11 D11 0 C 14 B14 13 A13 12 D12 0 C 15 B15 14 A14 13 D13 0 C 12 B16 13 A15 14 D14 0 H 17 B17 12 A16 13 D15 0 H 16 B18 17 A17 12 D16 0 H 15 B19 14 A18 13 D17 0 O 14 B20 15 A19 16 D18 0 C 21 B21 14 A20 15 D19 0 H 22 B22 21 A21 14 D20 0 H 22 B23 21 A22 14 D21 0 H 22 B24 21 A23 14 D22 0 O 13 B25 14 A24 15 D23 0 H 26 B26 13 A25 14 D24 0 H 11 B27 12 A26 13 D25 0 H 4 B28 5 A27 6 D26 0 H 3 B29 4 A28 5 D27 0 H 1 B30 2 A29 3 D28 0 H 1 B31 2 A30 3 D29 0 H 1 B32 2 A31 3 D30 0 Variables: B1 1.50783 B2 1.39886 B3 1.38562 B4 1.40022 B5 1.3994 B6 1.3946 B7 1.085 B8 1.08347 B9 1.40452 B10 1.27663 B11 1.46491 B12 1.3971 B13 1.40613 B14 1.38386 B15 1.40059 B16 1.40562 B17 1.08158 B18 1.08276 B19 1.08136 B20 1.37329 B21 1.42202 B22 1.0935 B23 1.09349 B24 1.08766 B25 1.36226 B26 0.96793 B27 1.09328 B28 1.08321 B29 1.08518 B30 1.09116 B31 1.09299 B32 1.09445 A1 120.87609 A2 121.34688 A3 120.68005 A4 118.30235 A5 117.694 A6 119.38964 A7 119.74606 A8 118.01001 A9 120.06333 A10 122.06962 A11 119.74674 A12 120.37143 A13 120.29902 A14 119.42025 A15 118.55579 A16 117.88203 A17 120.24308 A18 120.68743 A19 126.0068 A20 118.24455 A21 111.02148 A22 111.01888 A23 106.05282 A24 119.31396 A25 107.68413 A26 116.14636 A27 118.51388 A28 119.22492 A29 111.34515 A30 111.35647 A31 111.30478 D1 -178.33803 D2 -1.71764 D3 2.28338 D4 0.18144 D5 -178.7471 D6 -178.21219 D7 179.79675 D8 143.91891 D9 177.16309 D10 178.83191 D11 179.96167 D12 0.04994 D13 -0.04937 D14 0.02181 D15 179.95708 D16 -179.95988 D17 179.98166 D18 179.97655 D19 0.15501 D20 -61.21755 D21 61.02834 D22 179.90671 D23 -179.99587 D24 0.143 D25 -0.29253 D26 -178.5103 D27 178.90331 D28 -169.68606 D29 -49.20518 D30 70.27831 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 1.507830 3 6 0 1.200613 0.000000 2.225702 4 6 0 1.212254 -0.034321 3.610848 5 6 0 0.014206 -0.034098 4.335618 6 6 0 -1.191211 -0.047488 3.624896 7 6 0 -1.189773 -0.031905 2.234699 8 1 0 -2.136674 -0.053401 1.705421 9 1 0 -2.131234 -0.101623 4.160921 10 7 0 0.091341 -0.074220 5.737449 11 6 0 -0.753999 0.571599 6.443213 12 6 0 -0.752109 0.512027 7.906913 13 6 0 -1.684438 1.258046 8.632251 14 6 0 -1.694937 1.210029 10.037526 15 6 0 -0.780538 0.423582 10.716088 16 6 0 0.154968 -0.325079 9.990834 17 6 0 0.168122 -0.282331 8.612569 18 1 0 0.884527 -0.855893 8.040194 19 1 0 0.868943 -0.939991 10.524217 20 1 0 -0.782780 0.382206 11.796653 21 8 0 -2.666601 1.994189 10.609260 22 6 0 -2.761482 2.020840 12.027857 23 1 0 -2.981098 1.025988 12.425060 24 1 0 -1.838742 2.400044 12.475603 25 1 0 -3.582516 2.694777 12.261769 26 8 0 -2.593624 2.039022 7.984779 27 1 0 -3.141873 2.470092 8.655963 28 1 0 -1.512853 1.213719 5.988159 29 1 0 2.147306 -0.048725 4.157495 30 1 0 2.143171 0.017152 1.688195 31 1 0 -0.999894 0.181963 -0.397168 32 1 0 0.665074 0.770637 -0.398035 33 1 0 0.344086 -0.959850 -0.397647 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.507830 0.000000 3 C 2.528877 1.398861 0.000000 4 C 3.809063 2.427637 1.385620 0.000000 5 C 4.335776 2.828029 2.420841 1.400218 0.000000 6 C 3.815902 2.429652 2.771429 2.403542 1.399405 7 C 2.531888 1.394603 2.390616 2.768307 2.421453 8 H 2.734353 2.146455 3.378021 3.853094 3.397734 9 H 4.676082 3.404611 3.854427 3.389104 2.153600 10 N 5.738656 4.231257 3.683526 2.404261 1.404525 11 C 6.512314 5.025261 4.683443 3.500798 2.323567 12 C 7.959090 6.463444 6.029217 4.755355 3.693188 13 C 8.884581 7.428149 7.137932 5.939321 4.797508 14 C 10.251288 8.780245 8.418609 7.162567 6.081182 15 C 10.752823 9.250982 8.728748 7.393601 6.446044 16 C 9.997322 8.490645 7.841959 6.473532 5.664446 17 C 8.618835 7.112334 6.475942 5.115558 4.286912 18 H 8.133859 6.647310 5.885642 4.516802 3.893159 19 H 10.601782 9.106804 8.358166 6.980886 6.312683 20 H 11.828772 10.325634 9.781771 8.435702 7.515021 21 O 11.119530 9.691418 9.445432 8.254583 7.117531 22 C 12.505156 11.062574 10.764025 9.532067 8.431948 23 H 12.818804 11.363341 11.070966 9.818289 8.691071 24 H 12.836738 11.376872 10.957114 9.686000 8.695850 25 H 13.055544 11.650899 11.439528 10.260421 9.121789 26 O 8.639513 7.268794 7.191719 6.157494 4.941152 27 H 9.534066 8.189538 8.142899 7.119248 5.907384 28 H 6.294433 4.882129 4.795008 3.825627 2.572907 29 H 4.679536 3.410868 2.151842 1.083214 2.140574 30 H 2.728274 2.150815 1.085183 2.136784 3.397641 31 H 1.091165 2.159147 3.428526 4.583074 4.845033 32 H 1.092995 2.160677 2.786517 4.125349 4.845483 33 H 1.094455 2.161146 2.921799 4.204563 4.834215 6 7 8 9 10 6 C 0.000000 7 C 1.390286 0.000000 8 H 2.139701 1.084997 0.000000 9 H 1.083465 2.145120 2.455979 0.000000 10 N 2.471545 3.729920 4.606705 2.725075 0.000000 11 C 2.918447 4.273840 4.974846 2.749339 1.276630 12 C 4.340684 5.715018 6.379282 4.038690 2.400347 13 C 5.198202 6.545025 7.064375 4.694798 3.648041 14 C 6.554152 7.917178 8.438919 6.036992 4.830191 15 C 7.118677 8.503464 9.124622 6.713452 5.078860 16 C 6.512635 7.877304 8.600785 6.266143 4.261251 17 C 5.174922 6.525628 7.285135 5.013668 2.883664 18 H 4.945408 6.219763 7.064064 4.971167 2.557888 19 H 7.255441 8.589473 9.359003 7.084876 4.926192 20 H 8.193233 9.579567 10.190964 7.768966 6.138922 21 O 7.424726 8.741816 9.151600 6.801480 5.968173 22 C 8.795083 10.128671 10.547300 8.172561 7.217832 23 H 9.044277 10.400551 10.806887 8.383900 7.441403 24 H 9.205689 10.545693 11.050112 8.687798 7.433028 25 H 9.371976 10.663121 11.003610 8.691940 7.983189 26 O 5.032779 6.270802 6.634559 4.406593 4.089660 27 H 5.954404 7.162633 7.462471 5.276411 5.044295 28 H 2.697982 3.967924 4.509611 2.334807 2.072458 29 H 3.380733 3.851432 4.936109 4.278869 2.593048 30 H 3.856564 3.377808 4.280461 4.939536 4.540354 31 H 4.033144 2.647360 2.401780 4.704947 6.236181 32 H 4.505452 3.319009 3.599078 5.418880 6.219897 33 H 4.401181 3.184816 3.376198 5.257785 6.203840 11 12 13 14 15 11 C 0.000000 12 C 1.464913 0.000000 13 C 2.475644 1.397104 0.000000 14 C 3.769886 2.432209 1.406134 0.000000 15 C 4.275520 2.810710 2.419864 1.383861 0.000000 16 C 3.770393 2.422036 2.781267 2.404348 1.400592 17 C 2.507111 1.405624 2.409383 2.780041 2.413102 18 H 2.696822 2.137182 3.379179 3.861477 3.401456 19 H 4.644721 3.403886 3.864021 3.381262 2.148705 20 H 5.356866 3.892026 3.404926 2.147522 1.081360 21 O 4.799766 3.628327 2.327039 1.373287 2.456715 22 C 6.108890 4.826621 3.643077 2.399239 2.862885 23 H 6.399136 5.064208 4.015044 2.718162 2.850604 24 H 6.396061 5.061453 4.012395 2.716806 2.849928 25 H 6.809110 5.633859 4.340541 3.273330 3.924097 26 O 2.813179 2.393524 1.362264 2.389276 3.654720 27 H 3.768618 3.179004 1.895715 2.364339 3.742756 28 H 1.093276 2.180074 2.650025 4.053461 4.849115 29 H 3.745248 4.772755 6.034348 7.135970 7.197950 30 H 5.595641 6.877499 8.025604 9.266356 9.498216 31 H 6.855880 8.314331 9.119044 10.508227 11.118046 32 H 6.989711 8.428965 9.343653 10.708112 11.213116 33 H 7.095668 8.504927 9.516987 10.851674 11.255833 16 17 18 19 20 16 C 0.000000 17 C 1.378990 0.000000 18 H 2.149189 1.081584 0.000000 19 H 1.082762 2.139641 2.485495 0.000000 20 H 2.154207 3.388837 4.292294 2.468904 0.000000 21 O 3.704417 4.147887 5.228152 4.595292 2.749031 22 C 4.261277 5.054836 6.121310 4.920106 2.579504 23 H 4.193537 5.115112 6.140976 4.722404 2.375280 24 H 4.192285 5.113283 6.139232 4.721789 2.376488 25 H 5.314646 6.020557 7.098128 6.003841 3.660988 26 O 4.143428 3.661972 4.525609 5.226149 4.533716 27 H 4.523718 4.305088 5.258635 5.586205 4.448429 28 H 4.601189 3.457076 3.773802 5.557629 5.912954 29 H 6.170383 4.880515 4.161909 6.554671 8.193159 30 H 8.544230 7.206765 6.534086 8.978589 10.529737 31 H 10.464290 9.096988 8.707311 11.136785 12.197398 32 H 10.458939 9.085521 8.596364 11.057278 12.286480 33 H 10.409574 9.037366 8.455770 10.934486 12.319574 21 22 23 24 25 21 O 0.000000 22 C 1.422016 0.000000 23 H 2.081695 1.093496 0.000000 24 H 2.081659 1.093490 1.787613 0.000000 25 H 2.015071 1.087659 1.781355 1.781387 0.000000 26 O 2.625878 4.046602 4.570829 4.568116 4.438532 27 H 2.065850 3.422892 4.039478 4.036423 3.639573 28 H 4.826473 6.220006 6.604899 6.603067 6.770171 29 H 8.304966 9.503783 9.788165 9.543373 10.297423 30 H 10.326082 11.618045 11.939688 11.743166 12.318832 31 H 11.278454 12.683292 13.001811 13.089376 13.161795 32 H 11.565366 12.950177 13.333850 13.215696 13.491293 33 H 11.787391 13.149989 13.394859 13.482366 13.749012 26 27 28 29 30 26 O 0.000000 27 H 0.967929 0.000000 28 H 2.415716 3.368881 0.000000 29 H 6.440746 7.386208 4.282740 0.000000 30 H 8.134626 9.082862 5.769573 2.470181 0.000000 31 H 8.731877 9.580333 6.488455 5.541032 3.775547 32 H 9.082923 9.967742 6.761891 4.860166 2.665495 33 H 9.374884 10.290008 6.996510 4.983078 2.922666 31 32 33 31 H 0.000000 32 H 1.765972 0.000000 33 H 1.763525 1.760005 0.000000 Stoichiometry C15H15NO2 Framework group C1[X(C15H15NO2)] Deg. of freedom 93 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.539624 -0.728214 -0.055775 2 6 0 5.082250 -0.342623 -0.025249 3 6 0 4.640942 0.843751 -0.620712 4 6 0 3.309635 1.224399 -0.569031 5 6 0 2.357082 0.408980 0.054143 6 6 0 2.792435 -0.773059 0.663721 7 6 0 4.134127 -1.134954 0.621428 8 1 0 4.449675 -2.050725 1.110315 9 1 0 2.084568 -1.394772 1.198786 10 7 0 1.024276 0.851422 0.077881 11 6 0 0.069487 0.011454 -0.034439 12 6 0 -1.336089 0.416339 0.045530 13 6 0 -2.342808 -0.540059 -0.108477 14 6 0 -3.696216 -0.166088 -0.033346 15 6 0 -4.044254 1.154028 0.193004 16 6 0 -3.036560 2.114387 0.347673 17 6 0 -1.707926 1.752105 0.276277 18 1 0 -0.919793 2.483318 0.394587 19 1 0 -3.311623 3.146470 0.525208 20 1 0 -5.083057 1.448626 0.251647 21 8 0 -4.568345 -1.213187 -0.203320 22 6 0 -5.963343 -0.942638 -0.149343 23 1 0 -6.247370 -0.540189 0.826924 24 1 0 -6.257694 -0.242032 -0.935619 25 1 0 -6.461086 -1.896657 -0.307776 26 8 0 -2.022919 -1.845207 -0.332135 27 1 0 -2.850261 -2.341335 -0.411182 28 1 0 0.255407 -1.051329 -0.211015 29 1 0 2.980078 2.152192 -1.020634 30 1 0 5.356205 1.485205 -1.125249 31 1 0 6.686461 -1.753509 0.287517 32 1 0 6.951077 -0.649662 -1.065316 33 1 0 7.137282 -0.075244 0.587860 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4484841 0.1477786 0.1365049 Standard basis: 6-311+G(2d,p) (5D, 7F) There are 612 symmetry adapted cartesian basis functions of A symmetry. There are 576 symmetry adapted basis functions of A symmetry. 576 basis functions, 876 primitive gaussians, 612 cartesian basis functions 64 alpha electrons 64 beta electrons nuclear repulsion energy 1174.7298223338 Hartrees. NAtoms= 33 NActive= 33 NUniq= 33 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 576 RedAO= T EigKep= 1.29D-06 NBF= 576 NBsUse= 575 1.00D-06 EigRej= 2.50D-07 NBFU= 575 ExpMin= 4.38D-02 ExpMax= 8.59D+03 ExpMxC= 1.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RB3LYP) = -786.046718916 A.U. after 15 cycles NFock= 15 Conv=0.39D-08 -V/T= 2.0041 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 575 NBasis= 576 NAE= 64 NBE= 64 NFC= 0 NFV= 0 NROrb= 575 NOA= 64 NOB= 64 NVA= 511 NVB= 511 **** Warning!!: The largest alpha MO coefficient is 0.19330801D+03 Differentiating once with respect to magnetic field using GIAOs. Electric field/nuclear overlap derivatives assumed to be zero. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 6100 IOpCl= 0 I1Cent= 7 NGrid= 33 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. FoFJK: IHMeth= 1 ICntrl= 6127 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1. There are 3 degrees of freedom in the 1st order CPHF. IDoFFX=0 NUNeed= 3. 3 vectors produced by pass 0 Test12= 1.09D-12 3.33D-08 XBig12= 5.34D+02 5.70D+00. AX will form 3 AO Fock derivatives at one time. 3 vectors produced by pass 1 Test12= 1.09D-12 3.33D-08 XBig12= 1.22D+00 3.93D-01. 3 vectors produced by pass 2 Test12= 1.09D-12 3.33D-08 XBig12= 6.06D-03 3.70D-02. 3 vectors produced by pass 3 Test12= 1.09D-12 3.33D-08 XBig12= 1.62D-05 1.19D-03. 3 vectors produced by pass 4 Test12= 1.09D-12 3.33D-08 XBig12= 3.79D-08 5.53D-05. 3 vectors produced by pass 5 Test12= 1.09D-12 3.33D-08 XBig12= 1.38D-10 3.89D-06. 3 vectors produced by pass 6 Test12= 1.09D-12 3.33D-08 XBig12= 4.19D-13 1.46D-07. InvSVY: IOpt=1 It= 1 EMax= 3.55D-15 Solved reduced A of dimension 21 with 3 vectors. Calculating GIAO nuclear magnetic shielding tensors. SCF GIAO Magnetic shielding tensor (ppm): 1 C Isotropic = 160.7681 Anisotropy = 40.3035 XX= 183.8845 YX= -14.2840 ZX= -3.1720 XY= -7.9833 YY= 154.5952 ZY= -6.4580 XZ= -1.0583 YZ= -7.3067 ZZ= 143.8246 Eigenvalues: 139.3260 155.3412 187.6371 2 C Isotropic = 41.7155 Anisotropy = 193.9334 XX= -51.0587 YX= 33.6104 ZX= 21.0474 XY= 36.3987 YY= 45.7191 ZY= 65.6104 XZ= 31.8938 YZ= 59.8333 ZZ= 130.4860 Eigenvalues: -62.6148 16.7568 171.0044 3 C Isotropic = 49.2792 Anisotropy = 167.3246 XX= 0.5589 YX= -26.6211 ZX= 45.9544 XY= -36.1828 YY= 38.0263 ZY= 77.1212 XZ= 44.7187 YZ= 75.1126 ZZ= 109.2523 Eigenvalues: -57.0060 44.0146 160.8289 4 C Isotropic = 51.8857 Anisotropy = 161.5648 XX= 39.5637 YX= 24.2179 ZX= 13.5205 XY= 25.4736 YY= -0.2150 ZY= 85.0541 XZ= -3.8096 YZ= 76.2117 ZZ= 116.3083 Eigenvalues: -46.1256 42.1871 159.5955 5 C Isotropic = 24.7255 Anisotropy = 168.9062 XX= -52.9742 YX= 19.8919 ZX= 12.9306 XY= 29.1343 YY= 38.7054 ZY= 52.0299 XZ= 29.9802 YZ= 75.6478 ZZ= 88.4455 Eigenvalues: -59.3849 -3.7681 137.3297 6 C Isotropic = 62.6161 Anisotropy = 153.7767 XX= 26.9638 YX= -26.4152 ZX= 42.2067 XY= -29.7172 YY= 59.9898 ZY= 69.9733 XZ= 11.7087 YZ= 94.1464 ZZ= 100.8947 Eigenvalues: -30.3255 53.0399 165.1339 7 C Isotropic = 48.8743 Anisotropy = 157.1889 XX= 41.8680 YX= 33.5957 ZX= 1.2396 XY= 33.4268 YY= 3.6068 ZY= 83.1763 XZ= -5.9418 YZ= 89.6568 ZZ= 101.1481 Eigenvalues: -56.2062 49.1622 153.6669 8 H Isotropic = 24.5822 Anisotropy = 7.2985 XX= 28.9611 YX= 1.0557 ZX= -1.8604 XY= 0.1927 YY= 23.0891 ZY= -0.9452 XZ= -1.5842 YZ= -0.7078 ZZ= 21.6964 Eigenvalues: 21.0774 23.2214 29.4479 9 H Isotropic = 24.7143 Anisotropy = 7.2463 XX= 27.9660 YX= -2.2107 ZX= 0.5660 XY= -2.0110 YY= 23.4959 ZY= -0.5721 XZ= 2.4321 YZ= -3.8021 ZZ= 22.6809 Eigenvalues: 20.8569 23.7408 29.5452 10 N Isotropic = -102.0955 Anisotropy = 472.5368 XX= -398.9093 YX= 8.3929 ZX= -15.8631 XY= -12.4299 YY= -115.0202 ZY= -24.2712 XZ= -20.5355 YZ= -54.7409 ZZ= 207.6430 Eigenvalues: -399.4912 -119.7243 212.9290 11 C Isotropic = 25.0413 Anisotropy = 146.4985 XX= -16.5728 YX= 57.1555 ZX= 10.2743 XY= 19.7537 YY= -22.2152 ZY= -28.9451 XZ= -27.9867 YZ= -32.6651 ZZ= 113.9120 Eigenvalues: -59.6197 12.0367 122.7070 12 C Isotropic = 54.0188 Anisotropy = 157.3551 XX= -8.4253 YX= -1.9267 ZX= 0.8915 XY= 12.0724 YY= 16.3778 ZY= -24.9045 XZ= 2.1740 YZ= -27.4978 ZZ= 154.1040 Eigenvalues: -9.7300 12.8642 158.9222 13 C Isotropic = 28.5373 Anisotropy = 128.3134 XX= 1.8684 YX= 13.1470 ZX= 3.2593 XY= 12.4074 YY= -26.0182 ZY= -24.1425 XZ= 2.1838 YZ= -25.0364 ZZ= 109.7616 Eigenvalues: -34.9621 6.4943 114.0795 14 C Isotropic = 30.7589 Anisotropy = 119.4777 XX= -18.8513 YX= -12.6763 ZX= -1.1083 XY= -30.4214 YY= 3.7752 ZY= -18.0191 XZ= -3.9150 YZ= -18.0355 ZZ= 107.3528 Eigenvalues: -32.8431 14.7091 110.4107 15 C Isotropic = 69.8003 Anisotropy = 156.8918 XX= -12.4693 YX= 30.4574 ZX= 6.7101 XY= 9.9044 YY= 50.9842 ZY= -21.0741 XZ= 2.7559 YZ= -20.4871 ZZ= 170.8860 Eigenvalues: -18.9224 53.9284 174.3948 16 C Isotropic = 60.1620 Anisotropy = 167.7561 XX= 51.2753 YX= 17.4915 ZX= 3.9344 XY= 16.2133 YY= -36.6320 ZY= -35.7674 XZ= 3.8254 YZ= -35.8638 ZZ= 165.8428 Eigenvalues: -45.8502 54.3368 171.9994 17 C Isotropic = 58.3053 Anisotropy = 179.1204 XX= 9.5347 YX= -45.7022 ZX= -6.5304 XY= -38.8197 YY= -6.6494 ZY= -31.6795 XZ= -1.6457 YZ= -32.6993 ZZ= 172.0305 Eigenvalues: -45.1017 42.2987 177.7189 18 H Isotropic = 23.6239 Anisotropy = 7.4686 XX= 27.1491 YX= -2.3201 ZX= -0.4913 XY= -2.3449 YY= 24.5056 ZY= 0.4339 XZ= -0.8228 YZ= 1.0500 ZZ= 19.2169 Eigenvalues: 19.0989 23.1698 28.6029 19 H Isotropic = 24.9018 Anisotropy = 5.1613 XX= 28.1547 YX= 0.6763 ZX= 0.0341 XY= 0.8133 YY= 25.3351 ZY= 0.5570 XZ= -0.0068 YZ= 0.5915 ZZ= 21.2155 Eigenvalues: 21.1359 25.2268 28.3427 20 H Isotropic = 25.0514 Anisotropy = 7.4588 XX= 24.4531 YX= 2.1477 ZX= 0.3343 XY= 1.2619 YY= 29.2810 ZY= 1.2840 XZ= 0.1603 YZ= 1.3229 ZZ= 21.4202 Eigenvalues: 21.2094 23.9209 30.0240 21 O Isotropic = 246.1629 Anisotropy = 87.2686 XX= 178.8710 YX= 14.7516 ZX= 3.4162 XY= 54.1157 YY= 256.8152 ZY= -8.5592 XZ= 9.8581 YZ= -8.5371 ZZ= 302.8026 Eigenvalues: 165.2173 268.9295 304.3420 22 C Isotropic = 127.0057 Anisotropy = 76.2175 XX= 176.3542 YX= -12.6838 ZX= -2.5102 XY= -8.4650 YY= 98.3923 ZY= -1.3790 XZ= -1.8386 YZ= -1.4114 ZZ= 106.2706 Eigenvalues: 96.6908 106.5089 177.8174 23 H Isotropic = 28.1370 Anisotropy = 8.4883 XX= 31.0861 YX= -1.7626 ZX= -4.4319 XY= 0.1355 YY= 26.0471 ZY= 0.9402 XZ= -3.6357 YZ= 0.5631 ZZ= 27.2777 Eigenvalues: 24.6888 25.9262 33.7959 24 H Isotropic = 28.1461 Anisotropy = 8.5274 XX= 31.1857 YX= -3.1124 ZX= 3.5430 XY= -1.0511 YY= 26.6737 ZY= -1.2363 XZ= 3.4673 YZ= -0.8341 ZZ= 26.5789 Eigenvalues: 24.6836 25.9237 33.8311 25 H Isotropic = 27.8218 Anisotropy = 8.3341 XX= 32.0912 YX= 3.7063 ZX= 0.5746 XY= 1.5256 YY= 27.8230 ZY= 0.6888 XZ= 0.2446 YZ= 0.6707 ZZ= 23.5510 Eigenvalues: 23.4455 26.6420 33.3778 26 O Isotropic = 232.1730 Anisotropy = 124.8320 XX= 174.4732 YX= 2.4751 ZX= 1.6826 XY= -23.7342 YY= 209.8471 ZY= -18.0594 XZ= -2.2732 YZ= -18.5723 ZZ= 312.1988 Eigenvalues: 171.3237 209.8010 315.3943 27 H Isotropic = 26.4000 Anisotropy = 14.1630 XX= 34.5783 YX= 2.1106 ZX= 0.2325 XY= 3.6241 YY= 28.8257 ZY= 2.0913 XZ= 0.6906 YZ= 2.1848 ZZ= 15.7960 Eigenvalues: 15.4541 27.9038 35.8420 28 H Isotropic = 22.6406 Anisotropy = 9.9731 XX= 27.5445 YX= 4.1663 ZX= 0.5865 XY= 2.0322 YY= 21.4488 ZY= -0.3219 XZ= 3.6791 YZ= 1.2557 ZZ= 18.9284 Eigenvalues: 18.3983 20.2341 29.2893 29 H Isotropic = 24.3795 Anisotropy = 6.7877 XX= 28.5618 YX= 0.5609 ZX= -1.2073 XY= 0.7079 YY= 23.3888 ZY= -0.7009 XZ= -1.5385 YZ= -0.4270 ZZ= 21.1880 Eigenvalues: 20.8611 23.3728 28.9047 30 H Isotropic = 24.4826 Anisotropy = 7.1775 XX= 26.4833 YX= -3.5484 ZX= 1.1961 XY= -2.6481 YY= 24.9768 ZY= -1.5366 XZ= 0.2175 YZ= -1.7836 ZZ= 21.9876 Eigenvalues: 21.1315 23.0486 29.2676 31 H Isotropic = 29.8824 Anisotropy = 7.0198 XX= 30.6320 YX= -3.1255 ZX= 0.3433 XY= -1.0007 YY= 32.7222 ZY= -2.8541 XZ= -0.9567 YZ= -2.4649 ZZ= 26.2931 Eigenvalues: 25.1441 29.9409 34.5623 32 H Isotropic = 29.4580 Anisotropy = 7.7602 XX= 30.6841 YX= -0.6011 ZX= -3.8930 XY= -2.3127 YY= 26.9350 ZY= -0.7313 XZ= -3.9093 YZ= -1.3724 ZZ= 30.7551 Eigenvalues: 25.0965 28.6462 34.6315 33 H Isotropic = 29.3121 Anisotropy = 8.2888 XX= 32.5017 YX= 2.0136 ZX= 2.6045 XY= 1.9563 YY= 28.2844 ZY= 0.9865 XZ= 4.0713 YZ= 0.8800 ZZ= 27.1503 Eigenvalues: 25.5479 27.5505 34.8380 End of Minotr F.D. properties file 721 does not exist. End of Minotr F.D. properties file 722 does not exist. End of Minotr F.D. properties file 788 does not exist. ********************************************************************** Population analysis using the SCF Density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -19.17798 -19.16302 -14.30652 -10.24473 -10.24315 Alpha occ. eigenvalues -- -10.24205 -10.21328 -10.19833 -10.18529 -10.18421 Alpha occ. eigenvalues -- -10.17610 -10.17537 -10.17168 -10.16781 -10.16702 Alpha occ. eigenvalues -- -10.16605 -10.16456 -10.16410 -1.09759 -1.06661 Alpha occ. eigenvalues -- -0.93490 -0.86541 -0.84902 -0.78438 -0.76642 Alpha occ. eigenvalues -- -0.75579 -0.74432 -0.71454 -0.69128 -0.64679 Alpha occ. eigenvalues -- -0.62499 -0.61127 -0.59249 -0.56925 -0.56115 Alpha occ. eigenvalues -- -0.52818 -0.52458 -0.49333 -0.49209 -0.47479 Alpha occ. eigenvalues -- -0.46758 -0.46058 -0.45052 -0.44320 -0.43086 Alpha occ. eigenvalues -- -0.42603 -0.41910 -0.41737 -0.41023 -0.39185 Alpha occ. eigenvalues -- -0.38995 -0.37568 -0.36271 -0.36195 -0.35671 Alpha occ. eigenvalues -- -0.35527 -0.34729 -0.33931 -0.32050 -0.27611 Alpha occ. eigenvalues -- -0.25265 -0.24968 -0.22711 -0.21469 Alpha virt. eigenvalues -- -0.06286 -0.01054 -0.00654 -0.00286 -0.00132 Alpha virt. eigenvalues -- 0.00290 0.00983 0.01812 0.02587 0.02842 Alpha virt. eigenvalues -- 0.03606 0.03757 0.03804 0.04547 0.04657 Alpha virt. eigenvalues -- 0.05299 0.05783 0.06266 0.06462 0.06893 Alpha virt. eigenvalues -- 0.07267 0.07619 0.08360 0.08759 0.09222 Alpha virt. eigenvalues -- 0.09343 0.10042 0.10963 0.11311 0.11578 Alpha virt. eigenvalues -- 0.11867 0.12066 0.12953 0.13188 0.13678 Alpha virt. eigenvalues -- 0.14047 0.14462 0.14577 0.15083 0.15384 Alpha virt. eigenvalues -- 0.15802 0.16130 0.16220 0.16426 0.16825 Alpha virt. eigenvalues -- 0.16939 0.17707 0.17808 0.18278 0.18812 Alpha virt. eigenvalues -- 0.18943 0.19223 0.19650 0.19949 0.20460 Alpha virt. eigenvalues -- 0.20599 0.20933 0.21167 0.21577 0.21685 Alpha virt. eigenvalues -- 0.21932 0.22529 0.22647 0.23022 0.23423 Alpha virt. eigenvalues -- 0.23528 0.24204 0.24344 0.24665 0.25079 Alpha virt. eigenvalues -- 0.25178 0.25671 0.25911 0.26354 0.26746 Alpha virt. eigenvalues -- 0.27289 0.27463 0.27774 0.28243 0.28384 Alpha virt. eigenvalues -- 0.28794 0.29299 0.29427 0.29489 0.30109 Alpha virt. eigenvalues -- 0.30589 0.30674 0.31253 0.32115 0.32268 Alpha virt. eigenvalues -- 0.32877 0.33297 0.33746 0.34093 0.34878 Alpha virt. eigenvalues -- 0.35733 0.36652 0.37388 0.37930 0.38274 Alpha virt. eigenvalues -- 0.38616 0.40360 0.41600 0.41936 0.42371 Alpha virt. eigenvalues -- 0.42817 0.44205 0.44533 0.45529 0.46737 Alpha virt. eigenvalues -- 0.47807 0.48336 0.49283 0.50519 0.50537 Alpha virt. eigenvalues -- 0.51137 0.51721 0.52507 0.52919 0.53260 Alpha virt. eigenvalues -- 0.53857 0.53868 0.54317 0.54913 0.55684 Alpha virt. eigenvalues -- 0.55829 0.56429 0.56752 0.57061 0.57437 Alpha virt. eigenvalues -- 0.57617 0.58286 0.58541 0.59964 0.60162 Alpha virt. eigenvalues -- 0.60839 0.61553 0.62165 0.62579 0.63400 Alpha virt. eigenvalues -- 0.63694 0.64055 0.64794 0.65452 0.66006 Alpha virt. eigenvalues -- 0.66394 0.66697 0.67267 0.67784 0.68068 Alpha virt. eigenvalues -- 0.68323 0.69271 0.69660 0.69937 0.70439 Alpha virt. eigenvalues -- 0.71139 0.71908 0.71990 0.72899 0.73618 Alpha virt. eigenvalues -- 0.74182 0.74321 0.75671 0.76207 0.76586 Alpha virt. eigenvalues -- 0.76774 0.77687 0.78191 0.78327 0.78933 Alpha virt. eigenvalues -- 0.79895 0.80633 0.81343 0.81825 0.82815 Alpha virt. eigenvalues -- 0.83412 0.83663 0.84333 0.84718 0.85204 Alpha virt. eigenvalues -- 0.85647 0.86184 0.87048 0.87303 0.88149 Alpha virt. eigenvalues -- 0.89863 0.90261 0.90940 0.91119 0.92169 Alpha virt. eigenvalues -- 0.92676 0.94300 0.95374 0.95669 0.96204 Alpha virt. eigenvalues -- 0.96776 0.97433 0.98178 0.98645 1.00878 Alpha virt. eigenvalues -- 1.02011 1.02385 1.03396 1.04042 1.05109 Alpha virt. eigenvalues -- 1.06028 1.07424 1.08276 1.08885 1.09511 Alpha virt. eigenvalues -- 1.10791 1.12168 1.13668 1.13953 1.14779 Alpha virt. eigenvalues -- 1.16029 1.16670 1.17796 1.18811 1.19389 Alpha virt. eigenvalues -- 1.19914 1.20720 1.21883 1.23061 1.23493 Alpha virt. eigenvalues -- 1.23557 1.25003 1.25439 1.25693 1.27439 Alpha virt. eigenvalues -- 1.28391 1.29040 1.30471 1.31909 1.32903 Alpha virt. eigenvalues -- 1.33740 1.34119 1.35051 1.35417 1.35665 Alpha virt. eigenvalues -- 1.35721 1.37246 1.37521 1.38527 1.39633 Alpha virt. eigenvalues -- 1.41192 1.42238 1.42525 1.43168 1.43983 Alpha virt. eigenvalues -- 1.45391 1.47126 1.48530 1.50463 1.51033 Alpha virt. eigenvalues -- 1.51649 1.53576 1.55034 1.55561 1.56905 Alpha virt. eigenvalues -- 1.59295 1.60956 1.61119 1.63113 1.63236 Alpha virt. eigenvalues -- 1.65344 1.67759 1.67871 1.69590 1.69895 Alpha virt. eigenvalues -- 1.70159 1.71662 1.74500 1.75679 1.76324 Alpha virt. eigenvalues -- 1.78303 1.79242 1.80383 1.80993 1.82505 Alpha virt. eigenvalues -- 1.83152 1.84903 1.86321 1.87469 1.89492 Alpha virt. eigenvalues -- 1.89781 1.91440 1.94356 1.95090 1.97761 Alpha virt. eigenvalues -- 1.98035 2.01341 2.01766 2.03614 2.05758 Alpha virt. eigenvalues -- 2.09044 2.10444 2.12223 2.13906 2.14766 Alpha virt. eigenvalues -- 2.15689 2.18120 2.20393 2.21007 2.22441 Alpha virt. eigenvalues -- 2.23431 2.24837 2.26313 2.29631 2.30830 Alpha virt. eigenvalues -- 2.32047 2.32708 2.36030 2.36526 2.36652 Alpha virt. eigenvalues -- 2.37913 2.39111 2.41651 2.45267 2.48123 Alpha virt. eigenvalues -- 2.50636 2.52479 2.56445 2.57310 2.61784 Alpha virt. eigenvalues -- 2.62028 2.62896 2.64832 2.65594 2.66434 Alpha virt. eigenvalues -- 2.66994 2.68706 2.69051 2.71308 2.72905 Alpha virt. eigenvalues -- 2.74337 2.75247 2.75776 2.77403 2.78459 Alpha virt. eigenvalues -- 2.79228 2.79590 2.81205 2.82791 2.84548 Alpha virt. eigenvalues -- 2.84720 2.86036 2.88641 2.89306 2.89841 Alpha virt. eigenvalues -- 2.91043 2.91809 2.93112 2.93520 2.97912 Alpha virt. eigenvalues -- 2.99230 2.99592 3.02871 3.05410 3.07727 Alpha virt. eigenvalues -- 3.09157 3.10344 3.10675 3.11840 3.12474 Alpha virt. eigenvalues -- 3.12825 3.13672 3.15379 3.16452 3.17743 Alpha virt. eigenvalues -- 3.18629 3.19684 3.22251 3.23204 3.24889 Alpha virt. eigenvalues -- 3.26349 3.27406 3.28582 3.29058 3.29534 Alpha virt. eigenvalues -- 3.30763 3.31658 3.32835 3.34027 3.34322 Alpha virt. eigenvalues -- 3.35242 3.36166 3.37532 3.37896 3.40368 Alpha virt. eigenvalues -- 3.41602 3.42592 3.43094 3.44070 3.44336 Alpha virt. eigenvalues -- 3.45872 3.46189 3.47239 3.48721 3.49859 Alpha virt. eigenvalues -- 3.50425 3.51699 3.53051 3.54311 3.55135 Alpha virt. eigenvalues -- 3.55213 3.58039 3.58422 3.59605 3.59691 Alpha virt. eigenvalues -- 3.61658 3.61726 3.61961 3.62754 3.63370 Alpha virt. eigenvalues -- 3.63980 3.65565 3.66331 3.67913 3.68850 Alpha virt. eigenvalues -- 3.71283 3.71642 3.73001 3.74076 3.74824 Alpha virt. eigenvalues -- 3.76709 3.78144 3.78737 3.79524 3.81589 Alpha virt. eigenvalues -- 3.83507 3.84131 3.84201 3.85226 3.86067 Alpha virt. eigenvalues -- 3.89336 3.92804 3.93522 3.93980 3.96409 Alpha virt. eigenvalues -- 3.97803 3.98266 4.00307 4.02182 4.05663 Alpha virt. eigenvalues -- 4.06442 4.08258 4.10192 4.11697 4.14945 Alpha virt. eigenvalues -- 4.15584 4.17944 4.19141 4.20892 4.22977 Alpha virt. eigenvalues -- 4.23896 4.27946 4.34216 4.40667 4.45178 Alpha virt. eigenvalues -- 4.54275 4.56724 4.66027 4.68001 4.69180 Alpha virt. eigenvalues -- 4.77591 4.82820 4.85859 4.94401 4.99458 Alpha virt. eigenvalues -- 5.04846 5.06389 5.11744 5.15035 5.28086 Alpha virt. eigenvalues -- 5.31128 5.32372 5.47167 5.54620 5.62813 Alpha virt. eigenvalues -- 5.74474 5.87636 6.02359 6.84036 6.91679 Alpha virt. eigenvalues -- 6.98774 7.03245 7.03317 7.07508 7.31396 Alpha virt. eigenvalues -- 7.37198 7.45187 7.52164 23.67508 23.73713 Alpha virt. eigenvalues -- 23.94663 23.96367 23.99641 24.03869 24.04163 Alpha virt. eigenvalues -- 24.07603 24.10959 24.13084 24.15339 24.18048 Alpha virt. eigenvalues -- 24.20317 24.22861 24.24533 35.75521 50.00569 Alpha virt. eigenvalues -- 50.06119 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.566086 -0.108950 -0.209360 0.105413 -0.085980 -0.181791 2 C -0.108950 5.937890 -0.058306 0.805820 -1.118667 0.083963 3 C -0.209360 -0.058306 7.024866 -1.004800 0.363185 -0.188933 4 C 0.105413 0.805820 -1.004800 12.266732 -1.106444 -3.904551 5 C -0.085980 -1.118667 0.363185 -1.106444 9.728451 -0.669207 6 C -0.181791 0.083963 -0.188933 -3.904551 -0.669207 10.963975 7 C 0.215099 0.097842 0.095147 -0.821647 -0.202814 -1.193096 8 H -0.001909 -0.081974 0.027158 -0.018672 0.019980 0.004000 9 H 0.003859 0.026830 -0.012623 0.034063 -0.053339 0.437161 10 N 0.003249 0.015367 -0.010915 -0.627288 0.492582 0.294754 11 C -0.063577 -0.180470 0.122287 -0.198008 -0.634882 0.112462 12 C 0.001553 0.007101 0.016294 -0.094594 -0.200302 -0.018095 13 C -0.003327 -0.020579 0.009327 -0.130890 -0.231215 0.163483 14 C -0.000142 -0.000503 0.000090 -0.011185 0.071492 0.030991 15 C -0.000086 -0.001108 0.000368 -0.019710 -0.056486 0.019940 16 C 0.000494 0.004816 -0.003738 0.002533 0.030961 0.011432 17 C 0.001538 0.014044 -0.015410 0.021522 -0.161472 0.031764 18 H 0.000022 0.000315 -0.000058 -0.003943 0.005483 0.002892 19 H -0.000000 -0.000002 0.000009 -0.000034 -0.000199 -0.000051 20 H -0.000000 -0.000000 -0.000000 -0.000005 0.000008 0.000001 21 O 0.000000 -0.000003 0.000001 -0.000008 0.000276 -0.000404 22 C 0.000001 0.000017 -0.000012 -0.000033 0.001551 0.000093 23 H 0.000000 0.000000 -0.000000 0.000000 0.000012 0.000006 24 H -0.000000 -0.000000 0.000000 -0.000001 -0.000009 -0.000005 25 H 0.000000 0.000000 0.000000 0.000000 -0.000001 -0.000000 26 O -0.000016 -0.000255 -0.000427 -0.000952 0.025182 -0.010499 27 H -0.000000 0.000005 0.000005 -0.000160 -0.001396 0.000430 28 H -0.000003 0.000634 0.002615 -0.067024 -0.055320 0.107698 29 H 0.001411 0.028132 -0.088850 0.459937 -0.085600 0.027541 30 H 0.002139 -0.059919 0.388623 -0.043563 0.014769 -0.019877 31 H 0.457827 -0.093954 0.011699 0.005237 -0.004526 0.028662 32 H 0.430963 -0.056317 -0.022088 0.002664 -0.001632 -0.015892 33 H 0.352593 0.039472 -0.044134 -0.009172 0.005710 0.011634 7 8 9 10 11 12 1 C 0.215099 -0.001909 0.003859 0.003249 -0.063577 0.001553 2 C 0.097842 -0.081974 0.026830 0.015367 -0.180470 0.007101 3 C 0.095147 0.027158 -0.012623 -0.010915 0.122287 0.016294 4 C -0.821647 -0.018672 0.034063 -0.627288 -0.198008 -0.094594 5 C -0.202814 0.019980 -0.053339 0.492582 -0.634882 -0.200302 6 C -1.193096 0.004000 0.437161 0.294754 0.112462 -0.018095 7 C 8.265492 0.376052 -0.072692 0.025658 -0.229842 0.056758 8 H 0.376052 0.598570 -0.006794 -0.000189 0.001660 0.000022 9 H -0.072692 -0.006794 0.581464 -0.004539 -0.012385 -0.007644 10 N 0.025658 -0.000189 -0.004539 7.008278 0.042730 0.064191 11 C -0.229842 0.001660 -0.012385 0.042730 8.322075 -1.918899 12 C 0.056758 0.000022 -0.007644 0.064191 -1.918899 9.957391 13 C -0.039458 0.000291 0.002200 -0.123325 -0.626781 1.222067 14 C -0.015948 0.000020 0.001738 0.011797 1.311956 -3.218080 15 C -0.000442 -0.000001 0.000029 -0.032849 0.251834 -1.138730 16 C 0.010278 -0.000006 -0.000609 0.091757 -0.190828 0.318967 17 C 0.026141 -0.000269 -0.002927 -0.073280 -0.719668 0.748300 18 H -0.000157 0.000000 0.000006 0.005387 -0.061498 -0.028952 19 H -0.000005 0.000000 0.000000 -0.000164 0.009403 0.047493 20 H -0.000001 0.000000 -0.000000 0.000068 0.003271 -0.006254 21 O -0.000007 -0.000000 0.000000 -0.000197 0.020628 -0.112936 22 C 0.000011 -0.000000 0.000002 0.000375 -0.004227 -0.001321 23 H 0.000001 -0.000000 0.000000 -0.000004 0.001036 -0.000200 24 H -0.000000 0.000000 -0.000000 -0.000006 -0.000215 -0.000450 25 H -0.000000 0.000000 -0.000000 0.000000 -0.000272 0.001454 26 O -0.004387 -0.000001 -0.000088 0.003909 0.087765 -0.434752 27 H 0.000101 0.000000 -0.000004 -0.000111 -0.010043 0.109952 28 H 0.019707 0.000156 0.001231 -0.032301 0.426152 -0.139606 29 H -0.006796 0.000107 -0.000517 0.009354 0.005576 -0.003217 30 H 0.047895 -0.000494 0.000118 -0.000674 -0.000155 -0.000183 31 H -0.036803 0.005295 -0.000061 -0.000025 -0.000370 0.000023 32 H 0.025245 -0.000030 0.000022 -0.000111 -0.000895 -0.000024 33 H -0.000976 0.000307 0.000014 0.000113 0.001129 0.000007 13 14 15 16 17 18 1 C -0.003327 -0.000142 -0.000086 0.000494 0.001538 0.000022 2 C -0.020579 -0.000503 -0.001108 0.004816 0.014044 0.000315 3 C 0.009327 0.000090 0.000368 -0.003738 -0.015410 -0.000058 4 C -0.130890 -0.011185 -0.019710 0.002533 0.021522 -0.003943 5 C -0.231215 0.071492 -0.056486 0.030961 -0.161472 0.005483 6 C 0.163483 0.030991 0.019940 0.011432 0.031764 0.002892 7 C -0.039458 -0.015948 -0.000442 0.010278 0.026141 -0.000157 8 H 0.000291 0.000020 -0.000001 -0.000006 -0.000269 0.000000 9 H 0.002200 0.001738 0.000029 -0.000609 -0.002927 0.000006 10 N -0.123325 0.011797 -0.032849 0.091757 -0.073280 0.005387 11 C -0.626781 1.311956 0.251834 -0.190828 -0.719668 -0.061498 12 C 1.222067 -3.218080 -1.138730 0.318967 0.748300 -0.028952 13 C 10.688026 -1.950644 -2.383185 -0.464077 -0.029119 0.019539 14 C -1.950644 9.829870 0.769983 0.036351 -1.012918 -0.012376 15 C -2.383185 0.769983 8.167322 -0.219350 0.180018 0.047275 16 C -0.464077 0.036351 -0.219350 7.431560 -0.841527 -0.115999 17 C -0.029119 -1.012918 0.180018 -0.841527 7.647454 0.488126 18 H 0.019539 -0.012376 0.047275 -0.115999 0.488126 0.538630 19 H -0.013158 0.012869 -0.081148 0.416120 -0.054254 -0.005058 20 H -0.077496 -0.164569 0.557223 -0.002388 0.039414 -0.000455 21 O -0.397501 0.247522 0.071229 0.014915 0.029208 0.000221 22 C 0.207785 -0.094343 -0.249282 -0.010690 0.001986 0.000195 23 H 0.005220 -0.020838 -0.002752 0.012887 -0.001913 0.000000 24 H 0.000564 -0.021710 0.006619 0.010225 -0.000296 0.000001 25 H 0.013405 0.008525 -0.008108 -0.001472 0.000221 -0.000000 26 O 0.369229 0.098415 -0.002396 -0.005795 -0.070033 -0.000468 27 H 0.077857 -0.168547 -0.023206 -0.003238 0.002333 0.000041 28 H 0.058836 0.046915 0.002427 -0.014446 -0.045292 -0.000008 29 H 0.000592 0.000047 0.000005 0.000307 -0.000497 0.000047 30 H 0.000000 0.000001 -0.000001 0.000004 -0.000000 0.000000 31 H -0.000009 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 32 H 0.000003 0.000000 -0.000000 -0.000000 -0.000009 0.000000 33 H 0.000001 -0.000000 0.000000 0.000001 0.000010 -0.000000 19 20 21 22 23 24 1 C -0.000000 -0.000000 0.000000 0.000001 0.000000 -0.000000 2 C -0.000002 -0.000000 -0.000003 0.000017 0.000000 -0.000000 3 C 0.000009 -0.000000 0.000001 -0.000012 -0.000000 0.000000 4 C -0.000034 -0.000005 -0.000008 -0.000033 0.000000 -0.000001 5 C -0.000199 0.000008 0.000276 0.001551 0.000012 -0.000009 6 C -0.000051 0.000001 -0.000404 0.000093 0.000006 -0.000005 7 C -0.000005 -0.000001 -0.000007 0.000011 0.000001 -0.000000 8 H 0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 9 H 0.000000 -0.000000 0.000000 0.000002 0.000000 -0.000000 10 N -0.000164 0.000068 -0.000197 0.000375 -0.000004 -0.000006 11 C 0.009403 0.003271 0.020628 -0.004227 0.001036 -0.000215 12 C 0.047493 -0.006254 -0.112936 -0.001321 -0.000200 -0.000450 13 C -0.013158 -0.077496 -0.397501 0.207785 0.005220 0.000564 14 C 0.012869 -0.164569 0.247522 -0.094343 -0.020838 -0.021710 15 C -0.081148 0.557223 0.071229 -0.249282 -0.002752 0.006619 16 C 0.416120 -0.002388 0.014915 -0.010690 0.012887 0.010225 17 C -0.054254 0.039414 0.029208 0.001986 -0.001913 -0.000296 18 H -0.005058 -0.000455 0.000221 0.000195 0.000000 0.000001 19 H 0.590156 -0.005416 -0.000470 -0.000045 0.000030 0.000031 20 H -0.005416 0.583297 -0.011120 -0.004832 -0.000421 -0.000491 21 O -0.000470 -0.011120 8.594900 0.214549 -0.040710 -0.040484 22 C -0.000045 -0.004832 0.214549 4.832266 0.420676 0.419410 23 H 0.000030 -0.000421 -0.040710 0.420676 0.561782 -0.048587 24 H 0.000031 -0.000491 -0.040484 0.419410 -0.048587 0.561367 25 H -0.000001 0.000179 -0.047750 0.403162 -0.026999 -0.026876 26 O 0.000182 -0.000113 -0.011436 -0.003366 0.000164 0.000123 27 H -0.000005 -0.000126 0.035377 0.001696 -0.000015 0.000008 28 H 0.000031 0.000001 -0.000150 0.000081 0.000000 0.000000 29 H 0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 30 H 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 31 H 0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 32 H -0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 33 H 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 25 26 27 28 29 30 1 C 0.000000 -0.000016 -0.000000 -0.000003 0.001411 0.002139 2 C 0.000000 -0.000255 0.000005 0.000634 0.028132 -0.059919 3 C 0.000000 -0.000427 0.000005 0.002615 -0.088850 0.388623 4 C 0.000000 -0.000952 -0.000160 -0.067024 0.459937 -0.043563 5 C -0.000001 0.025182 -0.001396 -0.055320 -0.085600 0.014769 6 C -0.000000 -0.010499 0.000430 0.107698 0.027541 -0.019877 7 C -0.000000 -0.004387 0.000101 0.019707 -0.006796 0.047895 8 H 0.000000 -0.000001 0.000000 0.000156 0.000107 -0.000494 9 H -0.000000 -0.000088 -0.000004 0.001231 -0.000517 0.000118 10 N 0.000000 0.003909 -0.000111 -0.032301 0.009354 -0.000674 11 C -0.000272 0.087765 -0.010043 0.426152 0.005576 -0.000155 12 C 0.001454 -0.434752 0.109952 -0.139606 -0.003217 -0.000183 13 C 0.013405 0.369229 0.077857 0.058836 0.000592 0.000000 14 C 0.008525 0.098415 -0.168547 0.046915 0.000047 0.000001 15 C -0.008108 -0.002396 -0.023206 0.002427 0.000005 -0.000001 16 C -0.001472 -0.005795 -0.003238 -0.014446 0.000307 0.000004 17 C 0.000221 -0.070033 0.002333 -0.045292 -0.000497 -0.000000 18 H -0.000000 -0.000468 0.000041 -0.000008 0.000047 0.000000 19 H -0.000001 0.000182 -0.000005 0.000031 0.000000 0.000000 20 H 0.000179 -0.000113 -0.000126 0.000001 0.000000 -0.000000 21 O -0.047750 -0.011436 0.035377 -0.000150 -0.000000 0.000000 22 C 0.403162 -0.003366 0.001696 0.000081 -0.000000 -0.000000 23 H -0.026999 0.000164 -0.000015 0.000000 -0.000000 0.000000 24 H -0.026876 0.000123 0.000008 0.000000 0.000000 -0.000000 25 H 0.543285 -0.000010 0.000240 -0.000000 0.000000 0.000000 26 O -0.000010 8.200257 0.264540 0.006695 0.000002 -0.000000 27 H 0.000240 0.264540 0.392554 -0.000226 0.000000 -0.000000 28 H -0.000000 0.006695 -0.000226 0.579693 0.000276 -0.000000 29 H 0.000000 0.000002 0.000000 0.000276 0.569776 -0.006862 30 H 0.000000 -0.000000 -0.000000 -0.000000 -0.006862 0.596032 31 H -0.000000 -0.000000 -0.000000 0.000001 0.000021 -0.000088 32 H -0.000000 -0.000000 -0.000000 0.000001 -0.000017 0.002031 33 H 0.000000 0.000000 0.000000 -0.000001 -0.000007 0.001353 31 32 33 1 C 0.457827 0.430963 0.352593 2 C -0.093954 -0.056317 0.039472 3 C 0.011699 -0.022088 -0.044134 4 C 0.005237 0.002664 -0.009172 5 C -0.004526 -0.001632 0.005710 6 C 0.028662 -0.015892 0.011634 7 C -0.036803 0.025245 -0.000976 8 H 0.005295 -0.000030 0.000307 9 H -0.000061 0.000022 0.000014 10 N -0.000025 -0.000111 0.000113 11 C -0.000370 -0.000895 0.001129 12 C 0.000023 -0.000024 0.000007 13 C -0.000009 0.000003 0.000001 14 C -0.000000 0.000000 -0.000000 15 C -0.000000 -0.000000 0.000000 16 C -0.000000 -0.000000 0.000001 17 C -0.000000 -0.000009 0.000010 18 H 0.000000 0.000000 -0.000000 19 H 0.000000 -0.000000 0.000000 20 H 0.000000 0.000000 -0.000000 21 O -0.000000 -0.000000 0.000000 22 C 0.000000 0.000000 -0.000000 23 H 0.000000 0.000000 -0.000000 24 H -0.000000 0.000000 -0.000000 25 H -0.000000 -0.000000 0.000000 26 O -0.000000 -0.000000 0.000000 27 H -0.000000 -0.000000 0.000000 28 H 0.000001 0.000001 -0.000001 29 H 0.000021 -0.000017 -0.000007 30 H -0.000088 0.002031 0.001353 31 H 0.564910 -0.025087 -0.028001 32 H -0.025087 0.571039 -0.038272 33 H -0.028001 -0.038272 0.570643 Mulliken charges: 1 1 C -0.487105 2 C 0.718761 3 C -0.402018 4 C 0.358764 5 C -0.090152 6 C -0.130480 7 C -0.636357 8 H 0.076721 9 H 0.085484 10 N -0.163593 11 C 0.133051 12 C 0.772665 13 C -0.347661 14 C 0.213220 15 C 0.144567 16 C -0.519443 17 C -0.203196 18 H 0.120790 19 H 0.083686 20 H 0.090225 21 O -0.565650 22 C -0.135706 23 H 0.140622 24 H 0.140781 25 H 0.141019 26 O -0.511468 27 H 0.321937 28 H 0.101227 29 H 0.089231 30 H 0.078850 31 H 0.115249 32 H 0.128405 33 H 0.137575 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.105877 2 C 0.718761 3 C -0.323168 4 C 0.447995 5 C -0.090152 6 C -0.044996 7 C -0.559637 10 N -0.163593 11 C 0.234278 12 C 0.772665 13 C -0.347661 14 C 0.213220 15 C 0.234792 16 C -0.435757 17 C -0.082406 21 O -0.565650 22 C 0.286715 26 O -0.189531 Electronic spatial extent (au): = 7634.7012 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -3.5878 Y= -1.1202 Z= -0.0886 Tot= 3.7597 Quadrupole moment (field-independent basis, Debye-Ang): XX= -71.0296 YY= -102.1242 ZZ= -109.9781 XY= 1.0693 XZ= -0.6411 YZ= -1.9375 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 23.3477 YY= -7.7469 ZZ= -15.6008 XY= 1.0693 XZ= -0.6411 YZ= -1.9375 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -160.6229 YYY= -15.4507 ZZZ= -4.4832 XYY= -22.4137 XXY= -26.2199 XXZ= -10.3033 XZZ= -8.6957 YZZ= -8.2671 YYZ= 0.4343 XYZ= -14.9939 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -7806.5506 YYYY= -903.3220 ZZZZ= -233.1233 XXXY= 154.1324 XXXZ= -15.3969 YYYX= 57.1963 YYYZ= 5.4788 ZZZX= 7.9327 ZZZY= -1.4200 XXYY= -1607.8371 XXZZ= -1627.9381 YYZZ= -202.7216 XXYZ= -23.6367 YYXZ= 2.9858 ZZXY= 25.9567 N-N= 1.174729822334D+03 E-N=-4.180338120921D+03 KE= 7.828136982028D+02 Unable to Open any file for archive entry. 1\1\GINC-COMPUTE-0-0\SP\RB3LYP\6-311+G(2d,p)\C15H15N1O2\BESSELMAN\16-M ar-2023\0\\#N B3LYP/6-311+G(2d,p) NMR Geom=Connectivity\\C15H15O2N imi ne o-vanilin p-toluidine\\0,1\C\C,1,1.507829974\C,2,1.398861038,1,120. 8760929\C,3,1.385619772,2,121.3468792,1,-178.3380261,0\C,4,1.400218268 ,3,120.6800481,2,-1.7176444,0\C,5,1.399404791,4,118.3023503,3,2.283381 57,0\C,2,1.394602732,3,117.6940039,4,0.1814388,0\H,7,1.084996573,2,119 .3896437,3,-178.7470951,0\H,6,1.083465412,7,119.746064,2,-178.2121884, 0\N,5,1.40452492,4,118.0100118,3,179.7967507,0\C,10,1.276629961,5,120. 0633304,4,143.918912,0\C,11,1.464913238,10,122.0696168,5,177.1630894,0 \C,12,1.397103588,11,119.746735,10,178.831906,0\C,13,1.406133774,12,12 0.3714325,11,179.9616741,0\C,14,1.383860913,13,120.2990232,12,0.049938 19,0\C,15,1.400592413,14,119.420253,13,-0.04936626,0\C,12,1.405623612, 13,118.5557887,14,0.0218134,0\H,17,1.081583715,12,117.8820321,13,179.9 570784,0\H,16,1.082762046,17,120.2430848,12,-179.9598845,0\H,15,1.0813 59633,14,120.687429,13,179.981658,0\O,14,1.37328674,15,126.0067972,16, 179.9765539,0\C,21,1.422016068,14,118.2445492,15,0.15501385,0\H,22,1.0 93496132,21,111.0214786,14,-61.21755338,0\H,22,1.093490387,21,111.0188 806,14,61.02834142,0\H,22,1.087658661,21,106.0528173,14,179.9067113,0\ O,13,1.362263989,14,119.3139595,15,-179.9958724,0\H,26,0.967928823,13, 107.6841319,14,0.14299626,0\H,11,1.093276285,12,116.1463583,13,-0.2925 3013,0\H,4,1.083214169,5,118.5138756,6,-178.510296,0\H,3,1.085182924,4 ,119.2249198,5,178.9033126,0\H,1,1.091164671,2,111.345148,3,-169.68606 45,0\H,1,1.092994519,2,111.3564701,3,-49.2051782,0\H,1,1.094454622,2,1 11.3047845,3,70.27831404,0\\Version=ES64L-G16RevC.01\State=1-A\HF=-786 .0467189\RMSD=3.939e-09\Dipole=-0.6473116,0.4518198,1.2509217\Quadrupo le=-4.6402611,-10.8052247,15.4454858,-2.7170236,-5.312279,3.6631352\PG =C01 [X(C15H15N1O2)]\\@ The archive entry for this job was punched. HE THAT WALD REACHE THE SWEITE ROSE SULD NOW AND THEN BE SCRATCHED WT THE SCHARPE BREERES. -- PROVERBS AND REASONS OF THE YEAR 1585 AS REPRINTED IN PAISLEY MAGAZINE 1828. Job cpu time: 0 days 0 hours 58 minutes 50.5 seconds. Elapsed time: 0 days 0 hours 59 minutes 0.4 seconds. File lengths (MBytes): RWF= 192 Int= 0 D2E= 0 Chk= 27 Scr= 1 Normal termination of Gaussian 16 at Thu Mar 16 07:55:58 2023.