Entering Gaussian System, Link 0=/share/apps/gaussian/g16/g16 Initial command: /share/apps/gaussian/g16/l1.exe "/scratch/webmo-1704971/385219/Gau-299554.inp" -scrdir="/scratch/webmo-1704971/385219/" Entering Link 1 = /share/apps/gaussian/g16/l1.exe PID= 299555. 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). 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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 21-May-2026 ****************************************** %NProcShared=16 Will use up to 16 processors via shared memory. %Mem=88GB -------------------------- #N B3LYP/6-311+G(2d,p) NMR -------------------------- 1/38=1,172=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; --------------------------- C9H11ON 2-methylacetanilide --------------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C C 1 B1 N 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 6 B6 5 A5 4 D4 0 C 7 B7 6 A6 5 D5 0 C 4 B8 5 A7 6 D6 0 C 9 B9 4 A8 5 D7 0 H 10 B10 9 A9 4 D8 0 H 10 B11 9 A10 4 D9 0 H 10 B12 9 A11 4 D10 0 H 8 B13 7 A12 6 D11 0 H 7 B14 6 A13 5 D12 0 H 6 B15 7 A14 8 D13 0 H 5 B16 6 A15 7 D14 0 H 1 B17 2 A16 3 D15 0 H 1 B18 2 A17 3 D16 0 H 1 B19 2 A18 3 D17 0 O 2 B20 1 A19 18 D18 0 H 3 B21 4 A20 5 D19 0 Variables: B1 1.5193 B2 1.37613 B3 1.41278 B4 1.39771 B5 1.38966 B6 1.38801 B7 1.39036 B8 1.4103 B9 1.50886 B10 1.08974 B11 1.09589 B12 1.09589 B13 1.08451 B14 1.08311 B15 1.08349 B16 1.07799 B17 1.09099 B18 1.09099 B19 1.09125 B20 1.21697 B21 1.00605 A1 114.51485 A2 129.70071 A3 122.37241 A4 119.88784 A5 120.6434 A6 119.19521 A7 120.18768 A8 121.51892 A9 110.50195 A10 112.17823 A11 112.17823 A12 119.64248 A13 120.65884 A14 120.2758 A15 120.94662 A16 108.46633 A17 108.46633 A18 114.22406 A19 121.13589 A20 115.14028 D1 180. D2 0. D3 180. D4 0. D5 0. D6 0. D7 180. D8 180. D9 -60.63023 D10 60.63023 D11 180. D12 180. D13 180. D14 180. D15 121.77749 D16 -121.77749 D17 0. D18 -58.22251 D19 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 1.519300 3 7 0 1.252079 0.000000 2.090298 4 6 0 1.622159 0.000000 3.453747 5 6 0 0.678926 0.000000 4.485209 6 6 0 1.100746 0.000000 5.809304 7 6 0 2.453332 0.000000 6.120900 8 6 0 3.386694 0.000000 5.090396 9 6 0 3.000327 0.000000 3.753078 10 6 0 4.044161 0.000000 2.663550 11 1 0 5.045244 0.000000 3.094084 12 1 0 3.970962 -0.884375 2.020520 13 1 0 3.970962 0.884375 2.020520 14 1 0 4.445395 0.000000 5.325603 15 1 0 2.782380 0.000000 7.152821 16 1 0 0.358375 0.000000 6.598502 17 1 0 -0.370250 0.000000 4.237654 18 1 0 -0.544958 -0.879699 -0.345570 19 1 0 -0.544958 0.879699 -0.345570 20 1 0 0.995165 0.000000 -0.447747 21 8 0 -1.041661 0.000000 2.148561 22 1 0 2.019062 0.000000 1.439247 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519300 0.000000 3 N 2.436606 1.376132 0.000000 4 C 3.815726 2.524576 1.412782 0.000000 5 C 4.536302 3.042623 2.462540 1.397713 0.000000 6 C 5.912669 4.428969 3.722084 2.412575 1.389662 7 C 6.594260 5.214745 4.205802 2.793664 2.413297 8 C 6.114068 4.921628 3.682006 2.406700 2.774573 9 C 4.804951 3.740551 2.412718 1.410300 2.434115 10 C 4.842492 4.202921 2.850322 2.547646 3.826649 11 H 5.918432 5.285303 3.923734 3.441928 4.582571 12 H 4.542374 4.099010 2.859950 2.890179 4.206461 13 H 4.542374 4.099010 2.859950 2.890179 4.206461 14 H 6.937116 5.852305 4.545819 3.387404 3.859087 15 H 7.674926 6.283167 5.288758 3.876759 3.397156 16 H 6.608227 5.091829 4.595934 3.389194 2.137466 17 H 4.253798 2.743453 2.691300 2.141076 1.077986 18 H 1.090994 2.132742 3.152247 4.461510 5.060453 19 H 1.090994 2.132742 3.152247 4.461510 5.060453 20 H 1.091252 2.204456 2.551015 3.951554 4.943082 21 O 2.387754 1.216974 2.294480 2.966386 2.901783 22 H 2.479525 2.020649 1.006047 2.053227 3.327739 6 7 8 9 10 6 C 0.000000 7 C 1.388013 0.000000 8 C 2.396328 1.390361 0.000000 9 C 2.799369 2.430182 1.392012 0.000000 10 C 4.308069 3.805786 2.514328 1.508861 0.000000 11 H 4.788682 3.984925 2.595390 2.148478 1.089738 12 H 4.834784 4.460767 3.247711 2.173939 1.095885 13 H 4.834784 4.460767 3.247711 2.173939 1.095885 14 H 3.379444 2.144951 1.084514 2.135663 2.692121 15 H 2.152424 1.083112 2.149138 3.406722 4.663223 16 H 1.083489 2.148709 3.383061 3.882827 5.391555 17 H 2.152652 3.393999 3.852505 3.405231 4.686665 18 H 6.431538 7.181842 6.766201 5.490157 5.557758 19 H 6.431538 7.181842 6.766201 5.490157 5.557758 20 H 6.257941 6.728550 6.032449 4.654848 4.356207 21 O 4.241574 5.290979 5.316458 4.348809 5.111829 22 H 4.465501 4.701752 3.898885 2.513304 2.366419 11 12 13 14 15 11 H 0.000000 12 H 1.757481 0.000000 13 H 1.757481 1.768750 0.000000 14 H 2.310734 3.454096 3.454096 0.000000 15 H 4.646924 5.341850 5.341850 2.470698 0.000000 16 H 5.852152 5.898375 5.898375 4.280655 2.486578 17 H 5.534919 4.954183 4.954183 4.937010 4.293864 18 H 6.622345 5.098229 5.394801 7.605241 8.250509 19 H 6.622345 5.394801 5.098229 7.605241 8.250509 20 H 5.380308 3.966085 3.966085 6.725746 7.807866 21 O 6.159905 5.091651 5.091651 6.340456 6.298088 22 H 3.449096 2.220340 2.220340 4.581578 5.764337 16 17 18 19 20 16 H 0.000000 17 H 2.470727 0.000000 18 H 7.057620 4.670154 0.000000 19 H 7.057620 4.670154 1.759398 0.000000 20 H 7.074965 4.880302 1.776595 1.776595 0.000000 21 O 4.664984 2.194335 2.690961 2.690961 3.299920 22 H 5.419944 3.679660 3.245557 3.245557 2.146884 21 22 21 O 0.000000 22 H 3.141839 0.000000 Stoichiometry C9H11NO Framework group CS[SG(C9H7NO),X(H4)] Deg. of freedom 39 Full point group CS NOp 2 Largest Abelian subgroup CS NOp 2 Largest concise Abelian subgroup CS NOp 2 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.331225 -3.564911 -0.000000 2 6 0 -0.431601 -2.250997 -0.000000 3 7 0 0.364524 -1.128533 0.000000 4 6 0 0.000000 0.236412 0.000000 5 6 0 -1.333609 0.654848 -0.000000 6 6 0 -1.633628 2.011737 -0.000000 7 6 0 -0.620341 2.960331 -0.000000 8 6 0 0.704251 2.537767 0.000000 9 6 0 1.041569 1.187243 0.000000 10 6 0 2.491334 0.769101 0.000000 11 1 0 3.140919 1.644068 0.000000 12 1 0 2.750890 0.176247 0.884375 13 1 0 2.750890 0.176247 -0.884375 14 1 0 1.501737 3.272741 0.000000 15 1 0 -0.853893 4.017963 -0.000000 16 1 0 -2.671891 2.321510 -0.000000 17 1 0 -2.116658 -0.086022 -0.000000 18 1 0 0.033444 -4.137383 0.879699 19 1 0 0.033444 -4.137383 -0.879699 20 1 0 1.416668 -3.452467 0.000000 21 8 0 -1.648391 -2.229811 -0.000000 22 1 0 1.354709 -1.306477 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 2.0684999 0.7648966 0.5623043 Standard basis: 6-311+G(2d,p) (5D, 7F) There are 278 symmetry adapted cartesian basis functions of A' symmetry. There are 107 symmetry adapted cartesian basis functions of A" symmetry. There are 256 symmetry adapted basis functions of A' symmetry. There are 107 symmetry adapted basis functions of A" symmetry. 363 basis functions, 550 primitive gaussians, 385 cartesian basis functions 40 alpha electrons 40 beta electrons nuclear repulsion energy 580.9557513717 Hartrees. NAtoms= 22 NActive= 22 NUniq= 20 SFac= 1.21D+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= 363 RedAO= T EigKep= 1.01D-06 NBF= 256 107 NBsUse= 362 1.00D-06 EigRej= 8.18D-07 NBFU= 255 107 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. Initial guess 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") 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') The electronic state of the initial guess is 1-A'. 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) = -479.729255591 A.U. after 14 cycles NFock= 14 Conv=0.32D-08 -V/T= 2.0042 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 362 NBasis= 363 NAE= 40 NBE= 40 NFC= 0 NFV= 0 NROrb= 362 NOA= 40 NOB= 40 NVA= 322 NVB= 322 **** Warning!!: The largest alpha MO coefficient is 0.26563263D+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= 22 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= 4.29D-13 3.33D-08 XBig12= 9.98D+01 1.67D+00. AX will form 3 AO Fock derivatives at one time. 3 vectors produced by pass 1 Test12= 4.29D-13 3.33D-08 XBig12= 2.79D-01 2.23D-01. 3 vectors produced by pass 2 Test12= 4.29D-13 3.33D-08 XBig12= 1.03D-03 1.42D-02. 3 vectors produced by pass 3 Test12= 4.29D-13 3.33D-08 XBig12= 4.53D-06 4.50D-04. 3 vectors produced by pass 4 Test12= 4.29D-13 3.33D-08 XBig12= 1.12D-08 2.17D-05. 3 vectors produced by pass 5 Test12= 4.29D-13 3.33D-08 XBig12= 2.83D-11 1.68D-06. 2 vectors produced by pass 6 Test12= 4.29D-13 3.33D-08 XBig12= 6.15D-14 6.19D-08. InvSVY: IOpt=1 It= 1 EMax= 3.33D-16 Solved reduced A of dimension 20 with 3 vectors. Calculating GIAO nuclear magnetic shielding tensors. SCF GIAO Magnetic shielding tensor (ppm): 1 C Isotropic = 157.8584 Anisotropy = 47.2451 XX= 161.8996 YX= -15.2306 ZX= 0.0000 XY= -19.7292 YY= 178.2263 ZY= 0.0000 XZ= 0.0000 YZ= 0.0000 ZZ= 133.4492 Eigenvalues: 133.4492 150.7708 189.3551 2 C Isotropic = 12.4668 Anisotropy = 103.5615 XX= 36.3090 YX= -16.5391 ZX= 0.0000 XY= 1.3721 YY= -80.4164 ZY= 0.0000 XZ= -0.0000 YZ= 0.0000 ZZ= 81.5078 Eigenvalues: -80.9071 36.7996 81.5078 3 N Isotropic = 102.7788 Anisotropy = 113.2080 XX= -3.1292 YX= 88.3913 ZX= 0.0000 XY= 19.1269 YY= 162.3172 ZY= -0.0000 XZ= -0.0000 YZ= -0.0000 ZZ= 149.1485 Eigenvalues: -19.0628 149.1485 178.2508 4 C Isotropic = 38.2444 Anisotropy = 148.6970 XX= 32.4519 YX= 20.0478 ZX= -0.0000 XY= 17.3780 YY= -55.0945 ZY= -0.0000 XZ= 0.0000 YZ= -0.0000 ZZ= 137.3757 Eigenvalues: -58.9266 36.2840 137.3757 5 C Isotropic = 60.2152 Anisotropy = 176.3961 XX= -3.6810 YX= -33.0142 ZX= 0.0000 XY= -31.0041 YY= 6.5141 ZY= 0.0000 XZ= 0.0000 YZ= -0.0000 ZZ= 177.8126 Eigenvalues: -30.9960 33.8290 177.8126 6 C Isotropic = 50.2365 Anisotropy = 182.9514 XX= -51.6005 YX= 28.1204 ZX= -0.0000 XY= 30.2477 YY= 30.1060 ZY= -0.0000 XZ= -0.0000 YZ= 0.0000 ZZ= 172.2041 Eigenvalues: -60.9538 39.4593 172.2041 7 C Isotropic = 55.9800 Anisotropy = 174.2518 XX= 42.3030 YX= 25.3655 ZX= 0.0000 XY= 22.1161 YY= -46.5109 ZY= 0.0000 XZ= 0.0000 YZ= 0.0000 ZZ= 172.1478 Eigenvalues: -52.4587 48.2508 172.1478 8 C Isotropic = 49.1211 Anisotropy = 155.1748 XX= -5.5861 YX= -51.9611 ZX= 0.0000 XY= -55.1719 YY= 0.3785 ZY= -0.0000 XZ= 0.0000 YZ= 0.0000 ZZ= 152.5710 Eigenvalues: -56.2532 51.0456 152.5710 9 C Isotropic = 55.9349 Anisotropy = 165.6853 XX= -27.1100 YX= 7.3597 ZX= 0.0000 XY= 17.2187 YY= 28.5230 ZY= 0.0000 XZ= 0.0000 YZ= -0.0000 ZZ= 166.3918 Eigenvalues: -29.7038 31.1167 166.3918 10 C Isotropic = 164.4616 Anisotropy = 30.5226 XX= 183.7692 YX= -6.1216 ZX= -0.0000 XY= -4.3554 YY= 158.4445 ZY= 0.0000 XZ= -0.0000 YZ= -0.0000 ZZ= 151.1712 Eigenvalues: 151.1712 157.4037 184.8100 11 H Isotropic = 29.7257 Anisotropy = 7.7139 XX= 32.4810 YX= 3.5682 ZX= 0.0000 XY= 1.6798 YY= 31.9842 ZY= 0.0000 XZ= 0.0000 YZ= -0.0000 ZZ= 24.7121 Eigenvalues: 24.7121 29.5969 34.8683 12 H Isotropic = 29.7195 Anisotropy = 7.7709 XX= 30.4238 YX= -1.7929 ZX= 2.9883 XY= -0.2659 YY= 29.5238 ZY= -2.5132 XZ= 4.2292 YZ= -3.3868 ZZ= 29.2109 Eigenvalues: 25.3820 28.8763 34.9001 13 H Isotropic = 29.7195 Anisotropy = 7.7709 XX= 30.4238 YX= -1.7929 ZX= -2.9883 XY= -0.2659 YY= 29.5238 ZY= 2.5132 XZ= -4.2292 YZ= 3.3868 ZZ= 29.2109 Eigenvalues: 25.3820 28.8763 34.9001 14 H Isotropic = 24.6061 Anisotropy = 7.1145 XX= 25.9414 YX= -3.2845 ZX= -0.0000 XY= -2.4969 YY= 26.8968 ZY= -0.0000 XZ= 0.0000 YZ= 0.0000 ZZ= 20.9800 Eigenvalues: 20.9800 23.4892 29.3491 15 H Isotropic = 24.7677 Anisotropy = 4.7085 XX= 27.8195 YX= 0.6345 ZX= -0.0000 XY= 0.3856 YY= 24.9212 ZY= 0.0000 XZ= -0.0000 YZ= -0.0000 ZZ= 21.5623 Eigenvalues: 21.5623 24.8341 27.9067 16 H Isotropic = 24.4642 Anisotropy = 5.1342 XX= 24.5214 YX= 0.8248 ZX= -0.0000 XY= 0.8522 YY= 27.6781 ZY= 0.0000 XZ= 0.0000 YZ= 0.0000 ZZ= 21.1932 Eigenvalues: 21.1932 24.3125 27.8870 17 H Isotropic = 22.5913 Anisotropy = 10.3923 XX= 23.6160 YX= -2.4845 ZX= -0.0000 XY= -3.3622 YY= 28.0718 ZY= 0.0000 XZ= 0.0000 YZ= 0.0000 ZZ= 16.0860 Eigenvalues: 16.0860 22.1684 29.5195 18 H Isotropic = 29.6859 Anisotropy = 6.4107 XX= 28.1322 YX= -0.7219 ZX= -0.3049 XY= 1.0476 YY= 31.1815 ZY= -3.5474 XZ= -0.8373 YZ= -3.2140 ZZ= 29.7440 Eigenvalues: 26.9085 28.1895 33.9597 19 H Isotropic = 29.6859 Anisotropy = 6.4107 XX= 28.1322 YX= -0.7219 ZX= 0.3049 XY= 1.0476 YY= 31.1815 ZY= 3.5474 XZ= 0.8373 YZ= 3.2140 ZZ= 29.7440 Eigenvalues: 26.9085 28.1895 33.9597 20 H Isotropic = 30.3686 Anisotropy = 5.5846 XX= 33.8021 YX= 0.7598 ZX= 0.0000 XY= -2.4777 YY= 31.5429 ZY= -0.0000 XZ= 0.0000 YZ= 0.0000 ZZ= 25.7606 Eigenvalues: 25.7606 31.2534 34.0916 21 O Isotropic = -103.0563 Anisotropy = 661.0381 XX= -420.1565 YX= -52.5858 ZX= -0.0000 XY= -78.6212 YY= -226.6481 ZY= 0.0000 XZ= 0.0000 YZ= -0.0000 ZZ= 337.6358 Eigenvalues: -440.3005 -206.5041 337.6358 22 H Isotropic = 25.1304 Anisotropy = 10.9941 XX= 26.1229 YX= 3.2057 ZX= 0.0000 XY= 1.4123 YY= 31.6185 ZY= 0.0000 XZ= 0.0000 YZ= 0.0000 ZZ= 17.6497 Eigenvalues: 17.6497 25.2816 32.4598 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") 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') The electronic state is 1-A'. Alpha occ. eigenvalues -- -19.09713 -14.36192 -10.28570 -10.22370 -10.19015 Alpha occ. eigenvalues -- -10.18555 -10.18429 -10.17556 -10.17213 -10.17029 Alpha occ. eigenvalues -- -10.16764 -1.05138 -0.95364 -0.85931 -0.78524 Alpha occ. eigenvalues -- -0.76911 -0.73155 -0.69984 -0.64280 -0.60420 Alpha occ. eigenvalues -- -0.57619 -0.54359 -0.49486 -0.48684 -0.46546 Alpha occ. eigenvalues -- -0.46170 -0.44156 -0.43893 -0.42166 -0.41673 Alpha occ. eigenvalues -- -0.41247 -0.40555 -0.39737 -0.36155 -0.36130 Alpha occ. eigenvalues -- -0.35146 -0.31610 -0.26487 -0.25449 -0.22920 Alpha virt. eigenvalues -- -0.02684 -0.01460 -0.01442 0.00793 0.01686 Alpha virt. eigenvalues -- 0.02655 0.03080 0.03843 0.03847 0.04199 Alpha virt. eigenvalues -- 0.05458 0.05609 0.05881 0.07085 0.07204 Alpha virt. eigenvalues -- 0.08123 0.09084 0.09454 0.09695 0.10721 Alpha virt. eigenvalues -- 0.10932 0.12245 0.12515 0.13825 0.13848 Alpha virt. eigenvalues -- 0.14458 0.15117 0.15284 0.15378 0.16281 Alpha virt. eigenvalues -- 0.16985 0.17829 0.17948 0.18561 0.19108 Alpha virt. eigenvalues -- 0.19677 0.19725 0.20569 0.20572 0.20880 Alpha virt. eigenvalues -- 0.21745 0.22219 0.22974 0.23303 0.24124 Alpha virt. eigenvalues -- 0.24751 0.24821 0.25273 0.25873 0.26368 Alpha virt. eigenvalues -- 0.26956 0.28457 0.28683 0.29841 0.30111 Alpha virt. eigenvalues -- 0.30485 0.31140 0.32452 0.32892 0.33817 Alpha virt. eigenvalues -- 0.34836 0.36264 0.37435 0.38469 0.40262 Alpha virt. eigenvalues -- 0.41004 0.42863 0.44252 0.46041 0.46858 Alpha virt. eigenvalues -- 0.47789 0.49150 0.49328 0.51139 0.52216 Alpha virt. eigenvalues -- 0.52286 0.52691 0.53398 0.53747 0.53912 Alpha virt. eigenvalues -- 0.54195 0.55037 0.56863 0.57928 0.58874 Alpha virt. eigenvalues -- 0.58903 0.61059 0.61351 0.62387 0.62495 Alpha virt. eigenvalues -- 0.62877 0.64275 0.64891 0.65179 0.66190 Alpha virt. eigenvalues -- 0.67721 0.68386 0.69949 0.70317 0.70390 Alpha virt. eigenvalues -- 0.71152 0.71717 0.72758 0.74580 0.74780 Alpha virt. eigenvalues -- 0.76882 0.77470 0.78914 0.79599 0.80627 Alpha virt. eigenvalues -- 0.80933 0.82351 0.83100 0.83336 0.85026 Alpha virt. eigenvalues -- 0.86066 0.86351 0.87117 0.88947 0.89796 Alpha virt. eigenvalues -- 0.91609 0.94081 0.95579 0.97544 0.99422 Alpha virt. eigenvalues -- 1.01208 1.03665 1.04571 1.06816 1.07414 Alpha virt. eigenvalues -- 1.08765 1.10647 1.11912 1.14940 1.15835 Alpha virt. eigenvalues -- 1.16036 1.16803 1.17658 1.18602 1.19921 Alpha virt. eigenvalues -- 1.22415 1.23650 1.25251 1.26556 1.27318 Alpha virt. eigenvalues -- 1.29428 1.29457 1.31372 1.31617 1.32047 Alpha virt. eigenvalues -- 1.34265 1.35840 1.36880 1.38592 1.39671 Alpha virt. eigenvalues -- 1.43138 1.44071 1.44629 1.45533 1.47586 Alpha virt. eigenvalues -- 1.52468 1.53760 1.55140 1.56990 1.60119 Alpha virt. eigenvalues -- 1.60575 1.63680 1.63818 1.65941 1.69681 Alpha virt. eigenvalues -- 1.70478 1.73173 1.74954 1.75600 1.77345 Alpha virt. eigenvalues -- 1.79286 1.82009 1.84909 1.85890 1.87224 Alpha virt. eigenvalues -- 1.91622 1.93204 1.96662 1.98081 1.99903 Alpha virt. eigenvalues -- 2.02979 2.07368 2.11359 2.15480 2.18371 Alpha virt. eigenvalues -- 2.19062 2.19911 2.24325 2.26359 2.28618 Alpha virt. eigenvalues -- 2.30010 2.30507 2.32661 2.34369 2.35323 Alpha virt. eigenvalues -- 2.36659 2.37652 2.40976 2.47630 2.53282 Alpha virt. eigenvalues -- 2.57539 2.62476 2.64136 2.65013 2.65468 Alpha virt. eigenvalues -- 2.65741 2.66836 2.69562 2.70552 2.74546 Alpha virt. eigenvalues -- 2.76323 2.77927 2.79805 2.81633 2.82440 Alpha virt. eigenvalues -- 2.84798 2.85011 2.87539 2.90277 2.90930 Alpha virt. eigenvalues -- 2.91683 2.95173 3.00844 3.06840 3.10522 Alpha virt. eigenvalues -- 3.12061 3.13679 3.14538 3.15905 3.17667 Alpha virt. eigenvalues -- 3.19175 3.22479 3.23413 3.25630 3.27317 Alpha virt. eigenvalues -- 3.28096 3.28617 3.29169 3.31117 3.33788 Alpha virt. eigenvalues -- 3.34964 3.35747 3.37541 3.41174 3.44328 Alpha virt. eigenvalues -- 3.46338 3.46773 3.47237 3.49478 3.49896 Alpha virt. eigenvalues -- 3.50866 3.51368 3.52579 3.53821 3.59341 Alpha virt. eigenvalues -- 3.60199 3.60250 3.62595 3.63878 3.64338 Alpha virt. eigenvalues -- 3.65777 3.68062 3.73024 3.73401 3.74704 Alpha virt. eigenvalues -- 3.78286 3.80462 3.80614 3.83770 3.88293 Alpha virt. eigenvalues -- 3.90775 3.91729 3.93779 3.95838 3.97401 Alpha virt. eigenvalues -- 3.99571 4.06478 4.07388 4.19259 4.19613 Alpha virt. eigenvalues -- 4.20033 4.21693 4.27838 4.35976 4.36324 Alpha virt. eigenvalues -- 4.41922 4.59824 4.64272 4.80076 4.86762 Alpha virt. eigenvalues -- 4.97978 5.05869 5.08355 5.09113 5.13377 Alpha virt. eigenvalues -- 5.31192 5.34393 5.43715 5.57751 5.74821 Alpha virt. eigenvalues -- 6.13915 6.83401 6.92586 7.06940 7.25239 Alpha virt. eigenvalues -- 7.30905 23.68581 23.92796 23.96754 24.02471 Alpha virt. eigenvalues -- 24.08868 24.10684 24.14010 24.19208 24.24521 Alpha virt. eigenvalues -- 35.71252 50.05838 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.818229 -0.239224 -0.069064 -0.210343 0.022169 0.017174 2 C -0.239224 4.951657 0.423179 0.090172 -0.112049 -0.009496 3 N -0.069064 0.423179 6.712575 -0.040838 0.029944 0.096634 4 C -0.210343 0.090172 -0.040838 10.843989 0.714335 -0.517855 5 C 0.022169 -0.112049 0.029944 0.714335 6.138605 0.088228 6 C 0.017174 -0.009496 0.096634 -0.517855 0.088228 7.234360 7 C 0.006238 0.006715 -0.017396 -0.675914 -0.089225 0.295413 8 C 0.023231 0.043340 0.029557 0.560475 -0.083227 0.197897 9 C 0.045031 -0.147873 -0.243930 -3.513589 -1.117949 -1.735081 10 C -0.013395 -0.012913 0.044768 -0.753156 -0.132801 0.012699 11 H 0.000899 0.000180 0.000233 0.023951 -0.002017 -0.003392 12 H -0.001273 0.001166 0.000854 -0.034124 0.000840 0.002202 13 H -0.001273 0.001166 0.000854 -0.034124 0.000840 0.002202 14 H 0.000043 -0.000141 -0.000440 -0.010175 0.005706 0.021476 15 H -0.000028 -0.000157 0.000564 -0.002478 0.002932 -0.026198 16 H 0.000228 0.002202 -0.000362 0.016560 -0.054834 0.415733 17 H 0.001100 0.000555 -0.008257 -0.062738 0.417823 -0.049061 18 H 0.414639 -0.033163 0.001078 -0.007531 0.000884 -0.000078 19 H 0.414639 -0.033163 0.001078 -0.007531 0.000884 -0.000078 20 H 0.376013 -0.040886 -0.007569 0.042085 0.007617 0.001799 21 O -0.020675 0.474778 0.021942 -0.459742 0.264819 0.119266 22 H 0.039806 -0.043231 0.365416 -0.076370 0.020489 -0.001822 7 8 9 10 11 12 1 C 0.006238 0.023231 0.045031 -0.013395 0.000899 -0.001273 2 C 0.006715 0.043340 -0.147873 -0.012913 0.000180 0.001166 3 N -0.017396 0.029557 -0.243930 0.044768 0.000233 0.000854 4 C -0.675914 0.560475 -3.513589 -0.753156 0.023951 -0.034124 5 C -0.089225 -0.083227 -1.117949 -0.132801 -0.002017 0.000840 6 C 0.295413 0.197897 -1.735081 0.012699 -0.003392 0.002202 7 C 5.439405 0.244499 0.643744 -0.069416 0.018575 -0.001523 8 C 0.244499 5.899371 -0.965523 -0.141140 0.008139 0.000524 9 C 0.643744 -0.965523 12.356002 0.541395 -0.066948 -0.034284 10 C -0.069416 -0.141140 0.541395 5.848514 0.388633 0.422406 11 H 0.018575 0.008139 -0.066948 0.388633 0.540349 -0.021465 12 H -0.001523 0.000524 -0.034284 0.422406 -0.021465 0.580179 13 H -0.001523 0.000524 -0.034284 0.422406 -0.021465 -0.049700 14 H -0.011984 0.380505 -0.064034 0.003656 0.005950 0.000215 15 H 0.401796 -0.045486 0.003368 0.003432 -0.000095 0.000018 16 H -0.057339 0.022659 -0.009124 -0.000618 -0.000001 -0.000003 17 H 0.015457 0.006778 0.026176 -0.000275 0.000024 -0.000008 18 H 0.000093 -0.000048 0.000598 -0.000999 0.000000 -0.000035 19 H 0.000093 -0.000048 0.000598 -0.000999 0.000000 0.000019 20 H -0.000555 -0.001611 -0.030106 0.002213 -0.000014 0.000046 21 O 0.003789 0.010539 -0.091399 -0.004549 0.000009 -0.000073 22 H 0.003812 0.009760 0.008574 -0.017108 -0.000320 0.001202 13 14 15 16 17 18 1 C -0.001273 0.000043 -0.000028 0.000228 0.001100 0.414639 2 C 0.001166 -0.000141 -0.000157 0.002202 0.000555 -0.033163 3 N 0.000854 -0.000440 0.000564 -0.000362 -0.008257 0.001078 4 C -0.034124 -0.010175 -0.002478 0.016560 -0.062738 -0.007531 5 C 0.000840 0.005706 0.002932 -0.054834 0.417823 0.000884 6 C 0.002202 0.021476 -0.026198 0.415733 -0.049061 -0.000078 7 C -0.001523 -0.011984 0.401796 -0.057339 0.015457 0.000093 8 C 0.000524 0.380505 -0.045486 0.022659 0.006778 -0.000048 9 C -0.034284 -0.064034 0.003368 -0.009124 0.026176 0.000598 10 C 0.422406 0.003656 0.003432 -0.000618 -0.000275 -0.000999 11 H -0.021465 0.005950 -0.000095 -0.000001 0.000024 0.000000 12 H -0.049700 0.000215 0.000018 -0.000003 -0.000008 -0.000035 13 H 0.580179 0.000215 0.000018 -0.000003 -0.000008 0.000019 14 H 0.000215 0.599164 -0.006035 -0.000479 0.000084 0.000000 15 H 0.000018 -0.006035 0.592758 -0.005708 -0.000364 -0.000000 16 H -0.000003 -0.000479 -0.005708 0.591922 -0.005112 0.000000 17 H -0.000008 0.000084 -0.000364 -0.005112 0.509277 -0.000002 18 H 0.000019 0.000000 -0.000000 0.000000 -0.000002 0.528618 19 H -0.000035 0.000000 -0.000000 0.000000 -0.000002 -0.024682 20 H 0.000046 0.000000 0.000000 -0.000000 0.000032 -0.028056 21 O -0.000073 -0.000008 0.000009 -0.000015 -0.004599 -0.000309 22 H 0.001202 -0.000109 0.000001 0.000033 -0.000198 -0.000721 19 20 21 22 1 C 0.414639 0.376013 -0.020675 0.039806 2 C -0.033163 -0.040886 0.474778 -0.043231 3 N 0.001078 -0.007569 0.021942 0.365416 4 C -0.007531 0.042085 -0.459742 -0.076370 5 C 0.000884 0.007617 0.264819 0.020489 6 C -0.000078 0.001799 0.119266 -0.001822 7 C 0.000093 -0.000555 0.003789 0.003812 8 C -0.000048 -0.001611 0.010539 0.009760 9 C 0.000598 -0.030106 -0.091399 0.008574 10 C -0.000999 0.002213 -0.004549 -0.017108 11 H 0.000000 -0.000014 0.000009 -0.000320 12 H 0.000019 0.000046 -0.000073 0.001202 13 H -0.000035 0.000046 -0.000073 0.001202 14 H 0.000000 0.000000 -0.000008 -0.000109 15 H -0.000000 0.000000 0.000009 0.000001 16 H 0.000000 -0.000000 -0.000015 0.000033 17 H -0.000002 0.000032 -0.004599 -0.000198 18 H -0.024682 -0.028056 -0.000309 -0.000721 19 H 0.528618 -0.028056 -0.000309 -0.000721 20 H -0.028056 0.584833 0.006648 0.007790 21 O -0.000309 0.006648 8.150598 0.005914 22 H -0.000721 0.007790 0.005914 0.468713 Mulliken charges: 1 1 C -0.624165 2 C 0.677186 3 N -0.340821 4 C 0.114941 5 C -0.124015 6 C -0.162025 7 C -0.154753 8 C -0.200716 9 C 0.428637 10 C -0.542753 11 H 0.128775 12 H 0.132817 13 H 0.132817 14 H 0.076391 15 H 0.081652 16 H 0.084261 17 H 0.153318 18 H 0.149694 19 H 0.149694 20 H 0.107732 21 O -0.476557 22 H 0.207889 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.217045 2 C 0.677186 3 N -0.132932 4 C 0.114941 5 C 0.029303 6 C -0.077764 7 C -0.073101 8 C -0.124325 9 C 0.428637 10 C -0.148343 21 O -0.476557 Electronic spatial extent (au): = 1985.2927 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= 3.8916 Y= 0.0439 Z= 0.0000 Tot= 3.8919 Quadrupole moment (field-independent basis, Debye-Ang): XX= -65.1013 YY= -60.6847 ZZ= -69.0928 XY= -7.4554 XZ= -0.0000 YZ= -0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -0.1417 YY= 4.2749 ZZ= -4.1332 XY= -7.4554 XZ= -0.0000 YZ= -0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 8.0197 YYY= -13.8002 ZZZ= 0.0000 XYY= 16.3271 XXY= 15.0493 XXZ= 0.0000 XZZ= 0.7278 YZZ= -13.9321 YYZ= 0.0000 XYZ= -0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -748.9180 YYYY= -1735.1366 ZZZZ= -91.1506 XXXY= -55.5168 XXXZ= 0.0000 YYYX= -60.9616 YYYZ= -0.0000 ZZZX= 0.0000 ZZZY= -0.0000 XXYY= -450.8336 XXZZ= -148.2664 YYZZ= -337.5766 XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= -4.1250 N-N= 5.809557513717D+02 E-N=-2.278357446277D+03 KE= 4.777081828202D+02 Symmetry A' KE= 4.601553914367D+02 Symmetry A" KE= 1.755279138359D+01 Unable to Open any file for archive entry. 1\1\GINC-COMPUTE-0-1\SP\RB3LYP\6-311+G(2d,p)\C9H11N1O1\ANZOVINO\21-May -2026\0\\#N B3LYP/6-311+G(2d,p) NMR\\C9H11ON 2-methylacetanilide\\0,1\ C\C,1,1.519300334\N,2,1.376132423,1,114.5148454\C,3,1.412781866,2,129. 7007115,1,180.,0\C,4,1.397713007,3,122.3724073,2,0.,0\C,5,1.389661527, 4,119.8878388,3,180.,0\C,6,1.388013372,5,120.6433999,4,0.,0\C,7,1.3903 61212,6,119.1952084,5,0.,0\C,4,1.410299816,5,120.1876841,6,0.,0\C,9,1. 508860924,4,121.5189185,5,180.,0\H,10,1.089737548,9,110.5019463,4,180. ,0\H,10,1.095885178,9,112.1782258,4,-60.63023349,0\H,10,1.095885178,9, 112.1782258,4,60.63023349,0\H,8,1.084514039,7,119.6424755,6,180.,0\H,7 ,1.083112175,6,120.6588379,5,180.,0\H,6,1.083489441,7,120.2758039,8,18 0.,0\H,5,1.077986129,6,120.9466164,7,180.,0\H,1,1.090994063,2,108.4663 343,3,121.7774925,0\H,1,1.090994063,2,108.4663343,3,-121.7774925,0\H,1 ,1.091251648,2,114.2240617,3,0.,0\O,2,1.216974425,1,121.1358896,18,-58 .22250751,0\H,3,1.006046918,4,115.1402836,5,180.,0\\Version=ES64L-G16R evC.01\State=1-A'\HF=-479.7292556\RMSD=3.190e-09\Dipole=1.3327733,0.,- 0.7538138\Quadrupole=-4.0912208,-3.0729459,7.1641667,0.,-1.3224199,0.\ PG=CS [SG(C9H7N1O1),X(H4)]\\@ The archive entry for this job was punched. ADVERTISING-- HE WHO HAS SOMETHING TO SELL AND GOES AND WHISPERS IN A WELL, IS NOT SO APT TO GET THE DOLLARS AS HE WHO CLIMBS A TREE AND HOLLERS. -- FROM THE BACK OF A SUGAR PACKET Job cpu time: 0 days 0 hours 17 minutes 55.8 seconds. Elapsed time: 0 days 0 hours 1 minutes 11.8 seconds. File lengths (MBytes): RWF= 79 Int= 0 D2E= 0 Chk= 11 Scr= 1 Normal termination of Gaussian 16 at Thu May 21 15:06:27 2026.