Default is to use a total of 8 processors: 8 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 13340. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 09 program. It is based on 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 09, Revision D.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013. ****************************************** Gaussian 09: EM64W-G09RevD.01 13-Apr-2013 12-Feb-2018 ****************************************** %nprocshared=1 Will use up to 1 processors via shared memory. %chk=H:\Exercise 2 TS comp\EnergySJ1815.chk Default route: MaxDisk=10GB ----------------------------------------------- # pm6 geom=connectivity integral=grid=ultrafine ----------------------------------------------- 1/38=1,57=2/1; 2/12=2,17=6,18=5,40=1/2; 3/5=2,16=1,25=1,41=3900000,75=-5/1,2,3; 4/35=1/1; 5/5=2,35=1,38=5/2; 6/7=2,8=2,9=2,10=2,28=1/1; 99/5=1,9=1/99; ------------------- Title Card Required ------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C -1.76471 0.5418 0. C -2.35003 1.23135 0.99134 C -2.35026 -1.60888 0.99169 C -1.76483 -0.91965 0.00017 H -1.26949 1.03404 -0.83348 H -2.36446 2.32062 1.00412 H -2.36487 -2.69813 1.00474 H -1.26973 -1.41218 -0.83321 C -3.03177 0.58274 2.15869 H -4.0813 0.95324 2.18885 H -2.55726 0.94891 3.09305 C -3.03184 -0.95986 2.15891 H -4.08141 -1.33024 2.18926 H -2.5573 -1.32582 3.09334 C -4.83668 0.48347 -0.56868 C -4.83685 -0.86146 -0.56836 C -6.3015 -0.18844 1.05817 H -4.34993 1.26042 -1.11608 H -4.35028 -1.63879 -1.1154 H -7.37029 -0.18837 0.80541 H -6.05803 -0.18821 2.1276 O -5.68207 0.97723 0.44124 O -5.68234 -1.35455 0.4418 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.764706 0.541796 0.000000 2 6 0 -2.350030 1.231355 0.991335 3 6 0 -2.350257 -1.608876 0.991686 4 6 0 -1.764834 -0.919654 0.000173 5 1 0 -1.269493 1.034037 -0.833483 6 1 0 -2.364458 2.320619 1.004123 7 1 0 -2.364874 -2.698133 1.004736 8 1 0 -1.269728 -1.412179 -0.833206 9 6 0 -3.031766 0.582737 2.158692 10 1 0 -4.081297 0.953236 2.188852 11 1 0 -2.557256 0.948911 3.093054 12 6 0 -3.031845 -0.959859 2.158909 13 1 0 -4.081411 -1.330240 2.189257 14 1 0 -2.557296 -1.325820 3.093335 15 6 0 -4.836684 0.483467 -0.568676 16 6 0 -4.836847 -0.861458 -0.568358 17 6 0 -6.301505 -0.188436 1.058170 18 1 0 -4.349934 1.260418 -1.116084 19 1 0 -4.350285 -1.638787 -1.115401 20 1 0 -7.370294 -0.188370 0.805409 21 1 0 -6.058028 -0.188209 2.127603 22 8 0 -5.682069 0.977235 0.441242 23 8 0 -5.682343 -1.354546 0.441800 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.341954 0.000000 3 C 2.439611 2.840231 0.000000 4 C 1.461450 2.439610 1.341956 0.000000 5 H 1.087304 2.129896 3.388847 2.181113 0.000000 6 H 2.128891 1.089435 3.929540 3.444827 2.496205 7 H 3.444827 3.929539 1.089433 2.128892 4.302093 8 H 2.181113 3.388846 2.129898 1.087305 2.446216 9 C 2.503411 1.499397 2.574786 2.919161 3.501769 10 H 3.213557 2.123366 3.315739 3.696489 4.128835 11 H 3.218829 2.130713 3.316756 3.699376 4.133192 12 C 2.919160 2.574785 1.499398 2.503413 4.004487 13 H 3.696551 3.315790 2.123372 3.213596 4.757483 14 H 3.699312 3.316701 2.130707 3.218791 4.758914 15 C 3.124715 3.029260 3.604851 3.424704 3.619130 16 C 3.424938 3.605103 3.029109 3.124720 4.048359 17 C 4.715454 4.199337 4.199337 4.715445 5.513070 18 H 2.906108 2.905456 4.083412 3.561107 3.101649 19 H 3.561500 4.083757 2.905309 2.906237 4.088367 20 H 5.710030 5.220463 5.220470 5.710023 6.434285 21 H 4.846877 4.129832 4.129911 4.846905 5.761248 22 O 3.966111 3.386689 4.253461 4.374638 4.593362 23 O 4.374835 4.253608 3.386718 3.966238 5.177347 6 7 8 9 10 6 H 0.000000 7 H 5.018752 0.000000 8 H 4.302092 2.496208 0.000000 9 C 2.190562 3.541252 4.004488 0.000000 10 H 2.494164 4.204847 4.757409 1.113416 0.000000 11 H 2.506469 4.207019 4.758991 1.110079 1.772089 12 C 3.541253 2.190562 3.501771 1.542596 2.182242 13 H 4.204907 2.494137 4.128869 2.182240 2.283476 14 H 4.206960 2.506495 4.133160 2.177446 2.886999 15 C 3.458428 4.325280 4.048040 3.272021 2.897456 16 C 4.325623 3.458128 3.619085 3.575027 3.386174 17 C 4.668899 4.668886 5.513042 3.535117 2.740653 18 H 3.092154 4.910037 4.087843 3.594576 3.330034 19 H 4.910477 3.091772 3.101744 4.170533 4.208209 20 H 5.602937 5.602934 6.434258 4.609643 3.746289 21 H 4.604225 4.604339 5.761277 3.123073 2.283443 22 O 3.623266 4.982935 5.177091 3.182667 2.370061 23 O 4.983112 3.623220 4.593488 3.704908 3.307778 11 12 13 14 15 11 H 0.000000 12 C 2.177444 0.000000 13 H 2.886941 1.113415 0.000000 14 H 2.274731 1.110079 1.772090 0.000000 15 C 4.338283 3.574962 3.386173 4.677548 0.000000 16 C 4.677596 3.271957 2.897392 4.338200 1.344925 17 C 4.410636 3.535166 2.740783 4.410741 2.289931 18 H 4.585583 4.170440 4.208194 5.255605 1.067817 19 H 5.255685 3.594487 3.329904 4.585435 2.244873 20 H 5.449042 4.609696 3.746419 5.449160 2.959502 21 H 3.805331 3.123173 2.283649 3.805512 3.035251 22 O 4.098459 3.704916 3.307885 4.701262 1.406562 23 O 4.701195 3.182669 2.370059 4.098461 2.261524 16 17 18 19 20 16 C 0.000000 17 C 2.289929 0.000000 18 H 2.244871 3.261164 0.000000 19 H 1.067820 3.261164 2.899205 0.000000 20 H 2.959499 1.098270 3.861826 3.861823 0.000000 21 H 3.035252 1.096799 3.941778 3.941781 1.862858 22 O 2.261523 1.457083 2.068826 3.322703 2.083592 23 O 1.406563 1.457081 3.322703 2.068827 2.083592 21 22 23 21 H 0.000000 22 O 2.084087 0.000000 23 O 2.084086 2.331781 0.000000 Stoichiometry C9H12O2 Framework group C1[X(C9H12O2)] Deg. of freedom 63 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 -1.991611 -0.730599 -0.907157 2 6 0 -1.518682 -1.420115 0.142485 3 6 0 -1.518544 1.420116 0.142763 4 6 0 -1.991527 0.730851 -0.907020 5 1 0 -2.392288 -1.222877 -1.789965 6 1 0 -1.505727 -2.509378 0.156817 7 1 0 -1.505467 2.509374 0.157302 8 1 0 -2.392127 1.223339 -1.789747 9 6 0 -0.969278 -0.771446 1.377627 10 1 0 0.070599 -1.141922 1.522875 11 1 0 -1.543522 -1.137600 2.254240 12 6 0 -0.969250 0.771150 1.377799 13 1 0 0.070629 1.141554 1.523213 14 1 0 -1.543552 1.137131 2.254447 15 6 0 1.124237 -0.672225 -1.135035 16 6 0 1.124341 0.672700 -1.134746 17 6 0 2.401529 -0.000240 0.642814 18 1 0 0.700560 -1.449203 -1.732560 19 1 0 0.700784 1.450002 -1.731940 20 1 0 3.491611 -0.000292 0.508954 21 1 0 2.042081 -0.000438 1.679040 22 8 0 1.853610 -1.165943 -0.038369 23 8 0 1.853781 1.165838 -0.037863 --------------------------------------------------------------------- Rotational constants (GHZ): 1.7598118 0.9137491 0.8775105 Standard basis: VSTO-6G (5D, 7F) There are 56 symmetry adapted cartesian basis functions of A symmetry. There are 56 symmetry adapted basis functions of A symmetry. 56 basis functions, 336 primitive gaussians, 56 cartesian basis functions 30 alpha electrons 30 beta electrons nuclear repulsion energy 371.0866760178 Hartrees. Integral buffers will be 131072 words long. Regular integral format. Two-electron integral symmetry is turned off. Do NDO integrals. One-electron integrals computed using PRISM. NBasis= 56 RedAO= F EigKep= 0.00D+00 NBF= 56 NBsUse= 56 1.00D-04 EigRej= 0.00D+00 NBFU= 56 Simple Huckel Guess. Overlap will be assumed to be unity. Keep J ints in memory in canonical form, NReq=911009. 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(RPM6) = -0.552469917977E-01 A.U. after 14 cycles NFock= 13 Conv=0.23D-08 -V/T= 0.9985 ********************************************************************** 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) 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) The electronic state is 1-A. Alpha occ. eigenvalues -- -1.17970 -1.07059 -1.06878 -0.97848 -0.95024 Alpha occ. eigenvalues -- -0.94918 -0.88430 -0.81094 -0.79639 -0.75976 Alpha occ. eigenvalues -- -0.65914 -0.64234 -0.62947 -0.58763 -0.58136 Alpha occ. eigenvalues -- -0.57503 -0.55941 -0.53317 -0.51061 -0.50540 Alpha occ. eigenvalues -- -0.49355 -0.48242 -0.47295 -0.46532 -0.44477 Alpha occ. eigenvalues -- -0.42615 -0.41608 -0.41214 -0.32081 -0.31846 Alpha virt. eigenvalues -- 0.02221 0.03338 0.05147 0.07324 0.08058 Alpha virt. eigenvalues -- 0.10197 0.14916 0.15440 0.15485 0.17198 Alpha virt. eigenvalues -- 0.17274 0.17322 0.18091 0.18371 0.20149 Alpha virt. eigenvalues -- 0.20726 0.20866 0.21111 0.21786 0.22150 Alpha virt. eigenvalues -- 0.22301 0.23068 0.23339 0.23854 0.24154 Alpha virt. eigenvalues -- 0.24318 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.184191 0.000000 0.000000 0.000000 0.000000 0.000000 2 C 0.000000 4.111106 0.000000 0.000000 0.000000 0.000000 3 C 0.000000 0.000000 4.111112 0.000000 0.000000 0.000000 4 C 0.000000 0.000000 0.000000 4.184187 0.000000 0.000000 5 H 0.000000 0.000000 0.000000 0.000000 0.860614 0.000000 6 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.867874 7 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 8 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 9 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 10 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 11 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 12 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 13 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 14 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 15 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 16 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 17 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 18 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 19 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 20 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 21 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 22 O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 23 O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 7 8 9 10 11 12 1 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 2 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 3 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 4 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 5 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 6 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 7 H 0.867874 0.000000 0.000000 0.000000 0.000000 0.000000 8 H 0.000000 0.860615 0.000000 0.000000 0.000000 0.000000 9 C 0.000000 0.000000 4.260712 0.000000 0.000000 0.000000 10 H 0.000000 0.000000 0.000000 0.851436 0.000000 0.000000 11 H 0.000000 0.000000 0.000000 0.000000 0.863471 0.000000 12 C 0.000000 0.000000 0.000000 0.000000 0.000000 4.260711 13 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 14 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 15 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 16 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 17 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 18 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 19 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 20 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 21 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 22 O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 23 O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 13 14 15 16 17 18 1 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 2 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 3 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 4 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 5 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 6 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 7 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 8 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 9 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 10 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 11 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 12 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 13 H 0.851434 0.000000 0.000000 0.000000 0.000000 0.000000 14 H 0.000000 0.863470 0.000000 0.000000 0.000000 0.000000 15 C 0.000000 0.000000 4.014165 0.000000 0.000000 0.000000 16 C 0.000000 0.000000 0.000000 4.014176 0.000000 0.000000 17 C 0.000000 0.000000 0.000000 0.000000 3.801131 0.000000 18 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.809982 19 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 20 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 21 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 22 O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 23 O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 19 20 21 22 23 1 C 0.000000 0.000000 0.000000 0.000000 0.000000 2 C 0.000000 0.000000 0.000000 0.000000 0.000000 3 C 0.000000 0.000000 0.000000 0.000000 0.000000 4 C 0.000000 0.000000 0.000000 0.000000 0.000000 5 H 0.000000 0.000000 0.000000 0.000000 0.000000 6 H 0.000000 0.000000 0.000000 0.000000 0.000000 7 H 0.000000 0.000000 0.000000 0.000000 0.000000 8 H 0.000000 0.000000 0.000000 0.000000 0.000000 9 C 0.000000 0.000000 0.000000 0.000000 0.000000 10 H 0.000000 0.000000 0.000000 0.000000 0.000000 11 H 0.000000 0.000000 0.000000 0.000000 0.000000 12 C 0.000000 0.000000 0.000000 0.000000 0.000000 13 H 0.000000 0.000000 0.000000 0.000000 0.000000 14 H 0.000000 0.000000 0.000000 0.000000 0.000000 15 C 0.000000 0.000000 0.000000 0.000000 0.000000 16 C 0.000000 0.000000 0.000000 0.000000 0.000000 17 C 0.000000 0.000000 0.000000 0.000000 0.000000 18 H 0.000000 0.000000 0.000000 0.000000 0.000000 19 H 0.809983 0.000000 0.000000 0.000000 0.000000 20 H 0.000000 0.871178 0.000000 0.000000 0.000000 21 H 0.000000 0.000000 0.870795 0.000000 0.000000 22 O 0.000000 0.000000 0.000000 6.404890 0.000000 23 O 0.000000 0.000000 0.000000 0.000000 6.404891 Mulliken charges: 1 1 C -0.184191 2 C -0.111106 3 C -0.111112 4 C -0.184187 5 H 0.139386 6 H 0.132126 7 H 0.132126 8 H 0.139385 9 C -0.260712 10 H 0.148564 11 H 0.136529 12 C -0.260711 13 H 0.148566 14 H 0.136530 15 C -0.014165 16 C -0.014176 17 C 0.198869 18 H 0.190018 19 H 0.190017 20 H 0.128822 21 H 0.129205 22 O -0.404890 23 O -0.404891 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.044806 2 C 0.021020 3 C 0.021013 4 C -0.044802 9 C 0.024382 12 C 0.024385 15 C 0.175853 16 C 0.175841 17 C 0.456895 22 O -0.404890 23 O -0.404891 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.2618 Y= 0.0000 Z= 0.3932 Tot= 0.4724 N-N= 3.710866760178D+02 E-N=-6.659801330366D+02 KE=-3.733459876143D+01 1|1| IMPERIAL COLLEGE-CHWS-262|SP|RPM6|ZDO|C9H12O2|SJ1815|12-Feb-2018| 0||# pm6 geom=connectivity integral=grid=ultrafine||Title Card Require d||0,1|C,0,-1.76470587,0.54179566,0.|C,0,-2.35002987,1.23135466,0.9913 35|C,0,-2.35025687,-1.60887634,0.991686|C,0,-1.76483387,-0.91965434,0. 000173|H,0,-1.26949287,1.03403666,-0.833483|H,0,-2.36445787,2.32061866 ,1.004123|H,0,-2.36487387,-2.69813334,1.004736|H,0,-1.26972787,-1.4121 7934,-0.833206|C,0,-3.03176587,0.58273666,2.158692|H,0,-4.08129687,0.9 5323566,2.188852|H,0,-2.55725587,0.94891066,3.093054|C,0,-3.03184487,- 0.95985934,2.158909|H,0,-4.08141087,-1.33024034,2.189257|H,0,-2.557295 87,-1.32582034,3.093335|C,0,-4.83668387,0.48346666,-0.568676|C,0,-4.83 684687,-0.86145834,-0.568358|C,0,-6.30150487,-0.18843634,1.05817|H,0,- 4.34993387,1.26041766,-1.116084|H,0,-4.35028487,-1.63878734,-1.115401| H,0,-7.37029387,-0.18837034,0.805409|H,0,-6.05802787,-0.18820934,2.127 603|O,0,-5.68206887,0.97723466,0.441242|O,0,-5.68234287,-1.35454634,0. 4418||Version=EM64W-G09RevD.01|State=1-A|HF=-0.055247|RMSD=2.330e-009| Dipole=-0.119385,0.0000237,0.1424529|PG=C01 [X(C9H12O2)]||@ IBM COMPATIBILITY IS LIKE PREGNANCY. YOU ARE OR OR YOU ARE NOT. -- ADAM OSBORNE Job cpu time: 0 days 0 hours 0 minutes 2.0 seconds. File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 2 Scr= 1 Normal termination of Gaussian 09 at Mon Feb 12 15:18:05 2018.