Default is to use a total of 8 processors: 8 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 18248. 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 07-Nov-2017 ****************************************** %chk=\\icnas1.cc.ic.ac.uk\mk2815\Documents\Chemistry\Laboratories\Year3\Computat ionalTS\Exercise2\MOAnalysis\endo.chk %NoSave %rwf=endo.rwf Default route: MaxDisk=10GB ----------------------- # pm6 geom=connectivity ----------------------- 1/38=1,57=2/1; 2/12=2,17=6,18=5,40=1/2; 3/5=2,16=1,25=1,41=3900000/1,2,3; 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 2.40069 0.00005 0.34499 O 1.77019 1.16714 -0.25914 C 0.85372 0.67274 -1.20156 C 0.85377 -0.67284 -1.20152 H 3.46263 0.00008 0.06714 H 2.17466 0.00008 1.41843 H 0.34301 1.45088 -1.72384 H 0.34312 -1.45105 -1.72376 C -1.30224 1.41956 0.49166 H -1.24612 2.50504 0.43177 C -1.30253 -1.41959 0.49138 H -1.24668 -2.50507 0.4313 C -0.6652 0.73075 1.45173 H -0.08261 1.22673 2.22486 C -0.66537 -0.73109 1.4516 H -0.08295 -1.22735 2.22467 C -2.17129 -0.77161 -0.54702 H -1.89131 -1.14342 -1.55286 H -3.21197 -1.12894 -0.38349 C -2.17127 0.77197 -0.54675 H -3.21189 1.12928 -0.38283 H -1.89153 1.14412 -1.55253 O 1.77027 -1.16712 -0.25907 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.400694 0.000053 0.344990 2 8 0 1.770188 1.167139 -0.259139 3 6 0 0.853721 0.672744 -1.201564 4 6 0 0.853772 -0.672844 -1.201524 5 1 0 3.462633 0.000083 0.067143 6 1 0 2.174663 0.000076 1.418433 7 1 0 0.343010 1.450876 -1.723842 8 1 0 0.343124 -1.451047 -1.723758 9 6 0 -1.302240 1.419562 0.491662 10 1 0 -1.246122 2.505039 0.431767 11 6 0 -1.302530 -1.419588 0.491375 12 1 0 -1.246680 -2.505069 0.431303 13 6 0 -0.665195 0.730745 1.451727 14 1 0 -0.082606 1.226727 2.224856 15 6 0 -0.665373 -0.731093 1.451597 16 1 0 -0.082950 -1.227352 2.224674 17 6 0 -2.171293 -0.771607 -0.547022 18 1 0 -1.891311 -1.143422 -1.552861 19 1 0 -3.211965 -1.128943 -0.383493 20 6 0 -2.171267 0.771965 -0.546753 21 1 0 -3.211885 1.129282 -0.382828 22 1 0 -1.891532 1.144117 -1.552534 23 8 0 1.770270 -1.167115 -0.259066 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 O 1.457601 0.000000 3 C 2.288551 1.404458 0.000000 4 C 2.288551 2.261293 1.345588 0.000000 5 H 1.097685 2.081550 2.978005 2.978003 0.000000 6 H 1.096982 2.083239 3.010275 3.010274 1.866776 7 H 3.258683 2.064630 1.067281 2.245859 3.878721 8 H 3.258681 3.322126 2.245859 1.067281 3.878716 9 C 3.968405 3.172890 2.841288 3.448685 4.989905 10 H 4.425127 3.371269 3.230235 4.144410 5.346039 11 C 3.968712 4.086077 3.448668 2.841333 4.990212 12 H 4.425655 4.802428 4.144446 3.230336 5.346590 13 C 3.340427 3.008088 3.057846 3.364084 4.414737 14 H 3.347447 3.099456 3.594991 4.028058 4.327713 15 C 3.340647 3.530136 3.364174 3.057817 4.414948 16 H 3.347868 3.916253 4.028253 3.594963 4.328128 17 C 4.721674 4.401918 3.415448 3.096635 5.719600 18 H 4.830184 4.518737 3.310146 2.807198 5.709355 19 H 5.771244 5.487195 4.521628 4.172220 6.784396 20 C 4.721640 3.971643 3.096639 3.415708 5.719572 21 H 5.771128 4.983752 4.172278 4.521890 6.784302 22 H 4.830392 3.883503 2.807452 3.310778 5.709575 23 O 1.457600 2.334254 2.261293 1.404457 2.081551 6 7 8 9 10 6 H 0.000000 7 H 3.915822 0.000000 8 H 3.915821 2.901923 0.000000 9 C 3.868165 2.759762 3.981922 0.000000 10 H 4.353173 2.878064 4.777301 1.088576 0.000000 11 C 3.868560 3.981777 2.759707 2.839150 3.925485 12 H 4.353822 4.777161 2.877973 3.925488 5.010108 13 C 2.932538 3.408710 3.982540 1.342393 2.127420 14 H 2.692630 3.977890 4.789914 2.128063 2.490586 15 C 2.932834 3.982617 3.408560 2.439752 3.442364 16 H 2.693218 4.790107 3.977649 3.390598 4.300957 17 C 4.831753 3.556129 2.858083 2.575915 3.542651 18 H 5.164138 3.428091 2.261977 3.331061 4.203128 19 H 5.791147 4.592369 3.812967 3.302699 4.211296 20 C 4.831654 2.857980 3.556583 1.500965 2.194753 21 H 5.790902 3.813007 4.592851 2.120316 2.533870 22 H 5.164244 2.261996 3.428977 2.145197 2.491207 23 O 2.083236 3.322125 2.064627 4.085928 4.802144 11 12 13 14 15 11 C 0.000000 12 H 1.088576 0.000000 13 C 2.439755 3.442366 0.000000 14 H 3.390598 4.300954 1.087721 0.000000 15 C 1.342394 2.127418 1.461838 2.184172 0.000000 16 H 2.128064 2.490584 2.184170 2.454079 1.087721 17 C 1.500965 2.194748 2.918971 4.004904 2.502781 18 H 2.145188 2.491293 3.747454 4.812501 3.271041 19 H 2.120333 2.533764 3.648631 4.705906 3.164012 20 C 2.575911 3.542655 2.502773 3.500161 2.918956 21 H 3.302515 4.211098 3.163867 4.074543 3.648402 22 H 3.331227 4.203332 3.271141 4.188999 3.747623 23 O 3.173169 3.371753 3.529897 3.915801 3.008129 16 17 18 19 20 16 H 0.000000 17 C 3.500168 0.000000 18 H 4.188912 1.108309 0.000000 19 H 4.074672 1.112398 1.764018 0.000000 20 C 4.004890 1.543572 2.181590 2.173283 0.000000 21 H 4.705638 2.173286 2.877165 2.258225 1.112400 22 H 4.812706 2.181586 2.287539 2.876978 1.108307 23 O 3.099519 3.971809 3.883509 4.983935 4.402103 21 22 23 21 H 0.000000 22 H 1.764019 0.000000 23 O 5.487315 4.519253 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 -2.409244 -0.000062 0.520710 2 8 0 -1.823266 -1.167143 -0.126708 3 6 0 -0.976100 -0.672741 -1.131885 4 6 0 -0.976154 0.672847 -1.131836 5 1 0 -3.488245 -0.000095 0.319042 6 1 0 -2.107491 -0.000088 1.575374 7 1 0 -0.503798 -1.450869 -1.689143 8 1 0 -0.503917 1.451054 -1.689040 9 6 0 1.294755 -1.419556 0.403824 10 1 0 1.234526 -2.505033 0.348064 11 6 0 1.295013 1.419594 0.403528 12 1 0 1.235031 2.505075 0.347582 13 6 0 0.727554 -0.730746 1.406741 14 1 0 0.201390 -1.226733 2.219319 15 6 0 0.727717 0.731092 1.406604 16 1 0 0.201711 1.227346 2.219123 17 6 0 2.087779 0.771620 -0.693992 18 1 0 1.737015 1.143437 -1.677386 19 1 0 3.137440 1.128959 -0.604840 20 6 0 2.087778 -0.771952 -0.693728 21 1 0 3.137416 -1.129266 -0.604180 22 1 0 1.737267 -1.144102 -1.677085 23 8 0 -1.823351 1.167111 -0.126620 --------------------------------------------------------------------- Rotational constants (GHZ): 1.8241157 0.9627700 0.9057314 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 373.6864886411 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=911121. 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) = -0.490329657114E-01 A.U. after 13 cycles NFock= 12 Conv=0.95D-08 -V/T= 0.9987 ********************************************************************** 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 -- -1.17457 -1.07393 -1.06407 -0.97429 -0.95277 Alpha occ. eigenvalues -- -0.94948 -0.87935 -0.80993 -0.79690 -0.76010 Alpha occ. eigenvalues -- -0.65837 -0.63363 -0.62528 -0.58938 -0.57905 Alpha occ. eigenvalues -- -0.57292 -0.56877 -0.53414 -0.51089 -0.50023 Alpha occ. eigenvalues -- -0.48807 -0.48579 -0.46396 -0.46034 -0.45220 Alpha occ. eigenvalues -- -0.42891 -0.41917 -0.40664 -0.32027 -0.31313 Alpha virt. eigenvalues -- 0.02294 0.03655 0.05716 0.07927 0.08303 Alpha virt. eigenvalues -- 0.10707 0.14480 0.15191 0.15976 0.17052 Alpha virt. eigenvalues -- 0.17374 0.18112 0.18236 0.18850 0.19154 Alpha virt. eigenvalues -- 0.20697 0.20916 0.21234 0.21578 0.21754 Alpha virt. eigenvalues -- 0.22222 0.22866 0.23217 0.23619 0.24269 Alpha virt. eigenvalues -- 0.24287 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 3.794183 0.000000 0.000000 0.000000 0.000000 0.000000 2 O 0.000000 6.402111 0.000000 0.000000 0.000000 0.000000 3 C 0.000000 0.000000 4.016329 0.000000 0.000000 0.000000 4 C 0.000000 0.000000 0.000000 4.016330 0.000000 0.000000 5 H 0.000000 0.000000 0.000000 0.000000 0.874060 0.000000 6 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.868420 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 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 12 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 13 C 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 H 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 C 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 H 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 O 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 0.815196 0.000000 0.000000 0.000000 0.000000 0.000000 8 H 0.000000 0.815195 0.000000 0.000000 0.000000 0.000000 9 C 0.000000 0.000000 4.131899 0.000000 0.000000 0.000000 10 H 0.000000 0.000000 0.000000 0.865097 0.000000 0.000000 11 C 0.000000 0.000000 0.000000 0.000000 4.131924 0.000000 12 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.865099 13 C 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 H 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 C 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 H 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 O 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 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 12 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 13 C 4.155398 0.000000 0.000000 0.000000 0.000000 0.000000 14 H 0.000000 0.859419 0.000000 0.000000 0.000000 0.000000 15 C 0.000000 0.000000 4.155374 0.000000 0.000000 0.000000 16 H 0.000000 0.000000 0.000000 0.859418 0.000000 0.000000 17 C 0.000000 0.000000 0.000000 0.000000 4.255896 0.000000 18 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.869911 19 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 20 C 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 H 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 O 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 C 0.000000 0.000000 0.000000 0.000000 0.000000 12 H 0.000000 0.000000 0.000000 0.000000 0.000000 13 C 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 H 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 0.860411 0.000000 0.000000 0.000000 0.000000 20 C 0.000000 4.255904 0.000000 0.000000 0.000000 21 H 0.000000 0.000000 0.860406 0.000000 0.000000 22 H 0.000000 0.000000 0.000000 0.869912 0.000000 23 O 0.000000 0.000000 0.000000 0.000000 6.402108 Mulliken charges: 1 1 C 0.205817 2 O -0.402111 3 C -0.016329 4 C -0.016330 5 H 0.125940 6 H 0.131580 7 H 0.184804 8 H 0.184805 9 C -0.131899 10 H 0.134903 11 C -0.131924 12 H 0.134901 13 C -0.155398 14 H 0.140581 15 C -0.155374 16 H 0.140582 17 C -0.255896 18 H 0.130089 19 H 0.139589 20 C -0.255904 21 H 0.139594 22 H 0.130088 23 O -0.402108 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.463337 2 O -0.402111 3 C 0.168475 4 C 0.168474 9 C 0.003003 11 C 0.002977 13 C -0.014817 15 C -0.014792 17 C 0.013782 20 C 0.013779 23 O -0.402108 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.7889 Y= -0.0001 Z= -0.8503 Tot= 1.1600 N-N= 3.736864886411D+02 E-N=-6.711819783481D+02 KE=-3.739598618150D+01 1|1| IMPERIAL COLLEGE-CHWS-150|SP|RPM6|ZDO|C9H12O2|MK2815|07-Nov-2017| 0||# pm6 geom=connectivity||Title Card Required||0,1|C,0,2.400694,0.00 0053,0.34499|O,0,1.770188,1.167139,-0.259139|C,0,0.853721,0.672744,-1. 201564|C,0,0.853772,-0.672844,-1.201524|H,0,3.462633,0.000083,0.067143 |H,0,2.174663,0.000076,1.418433|H,0,0.34301,1.450876,-1.723842|H,0,0.3 43124,-1.451047,-1.723758|C,0,-1.30224,1.419562,0.491662|H,0,-1.246122 ,2.505039,0.431767|C,0,-1.30253,-1.419588,0.491375|H,0,-1.24668,-2.505 069,0.431303|C,0,-0.665195,0.730745,1.451727|H,0,-0.082606,1.226727,2. 224856|C,0,-0.665373,-0.731093,1.451597|H,0,-0.08295,-1.227352,2.22467 4|C,0,-2.171293,-0.771607,-0.547022|H,0,-1.891311,-1.143422,-1.552861| H,0,-3.211965,-1.128943,-0.383493|C,0,-2.171267,0.771965,-0.546753|H,0 ,-3.211885,1.129282,-0.382828|H,0,-1.891532,1.144117,-1.552534|O,0,1.7 7027,-1.167115,-0.259066||Version=EM64W-G09RevD.01|State=1-A|HF=-0.049 033|RMSD=9.463e-009|Dipole=-0.333386,0.000051,-0.3116431|PG=C01 [X(C9H 12O2)]||@ REALITY IS FOR PEOPLE WHO CAN'T FACE SCIENCE FICTION. Job cpu time: 0 days 0 hours 0 minutes 12.0 seconds. File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 2 Scr= 1 Normal termination of Gaussian 09 at Tue Nov 07 21:29:16 2017.