Default is to use a total of 4 processors: 4 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 5432. 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 24-Jan-2017 ****************************************** %chk=H:\Desktop\labs\year_3\Comp_TS\exercise\exercise 2\endo_react_energy.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 -1.55561 1.42118 0.62729 C -0.87986 0.73139 1.55802 C -0.88485 -0.73046 1.56203 C -1.55986 -1.42073 0.63112 C -2.35468 -0.77154 -0.46246 C -2.36469 0.77146 -0.45544 H -1.55582 2.5098 0.60732 H -0.30282 1.22601 2.33616 H -0.31602 -1.22467 2.34645 H -1.56722 -2.50942 0.61696 H -1.96753 -1.13021 -1.43904 H -3.41352 1.12756 -0.36847 H -3.40046 -1.14146 -0.40294 H -2.00494 1.14344 -1.43729 C 1.18869 -0.6739 -1.40268 O 2.00305 -1.16681 -0.3714 C 2.50695 0.00086 0.34252 C 1.18733 0.67156 -1.40322 H 0.7345 -1.4515 -1.9756 H 2.0755 0.0009 1.35263 H 3.60153 0.00187 0.27318 H 0.73113 1.44774 -1.97649 O 2.00088 1.16693 -0.3725 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.555610 1.421183 0.627294 2 6 0 -0.879863 0.731394 1.558024 3 6 0 -0.884852 -0.730456 1.562032 4 6 0 -1.559855 -1.420730 0.631124 5 6 0 -2.354682 -0.771544 -0.462461 6 6 0 -2.364685 0.771464 -0.455439 7 1 0 -1.555819 2.509800 0.607322 8 1 0 -0.302816 1.226010 2.336163 9 1 0 -0.316019 -1.224666 2.346453 10 1 0 -1.567223 -2.509417 0.616956 11 1 0 -1.967527 -1.130205 -1.439036 12 1 0 -3.413515 1.127560 -0.368472 13 1 0 -3.400455 -1.141457 -0.402941 14 1 0 -2.004938 1.143444 -1.437290 15 6 0 1.188688 -0.673901 -1.402679 16 8 0 2.003046 -1.166805 -0.371401 17 6 0 2.506950 0.000857 0.342517 18 6 0 1.187329 0.671562 -1.403222 19 1 0 0.734504 -1.451496 -1.975598 20 1 0 2.075495 0.000903 1.352628 21 1 0 3.601531 0.001866 0.273184 22 1 0 0.731126 1.447735 -1.976488 23 8 0 2.000877 1.166928 -0.372499 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.341157 0.000000 3 C 2.439918 1.461864 0.000000 4 C 2.841919 2.439912 1.341155 0.000000 5 C 2.575681 2.918265 2.502131 1.499707 0.000000 6 C 1.499683 2.502066 2.918194 2.575672 1.543056 7 H 1.088800 2.126847 3.443970 3.930604 3.542575 8 H 2.127867 1.087717 2.183072 3.390065 4.004082 9 H 3.390075 2.183051 1.087718 2.127892 3.500209 10 H 3.930631 3.443970 2.126852 1.088804 2.192130 11 H 3.308924 3.692009 3.215337 2.129827 1.110057 12 H 2.128280 3.207449 3.684183 3.305908 2.176363 13 H 3.321440 3.702207 3.218431 2.129576 1.110864 14 H 2.131089 3.226063 3.709721 3.324368 2.177106 15 C 4.005164 3.875502 3.618325 3.499800 3.667290 16 O 4.512107 3.954365 3.502644 3.709959 4.376564 17 C 4.313098 3.671736 3.677820 4.317766 4.987991 18 C 3.494087 3.611903 3.879732 4.007901 3.938709 19 H 4.502439 4.456195 3.956898 3.472755 3.506421 20 H 3.965883 3.051220 3.056532 3.969556 4.849504 21 H 5.360593 4.718677 4.724940 5.365800 6.051100 22 H 3.465479 3.949836 4.458366 4.502924 4.091416 23 O 3.703084 3.495035 3.958523 4.514648 4.768298 6 7 8 9 10 6 C 0.000000 7 H 2.192154 0.000000 8 H 3.500137 2.491390 0.000000 9 H 4.004019 4.302083 2.450733 0.000000 10 H 3.542620 5.019239 4.302071 2.491437 0.000000 11 H 2.177508 4.196036 4.751330 4.131141 2.507902 12 H 1.111041 2.512727 4.123250 4.743234 4.196125 13 H 2.175969 4.213667 4.764762 4.132776 2.504445 14 H 1.109873 2.499815 4.140409 4.772536 4.213658 15 C 3.951304 4.659225 4.451200 4.077190 3.878542 16 O 4.779228 5.209687 4.286428 3.573254 3.940340 17 C 4.996338 4.782364 3.656557 3.672441 4.793295 18 C 3.677646 3.866040 4.063366 4.462712 4.667687 19 H 4.105777 5.254419 5.180382 4.453670 3.624704 20 H 4.855725 4.476213 2.850367 2.865143 4.484675 21 H 6.059613 5.744531 4.582394 4.598915 5.756799 22 H 3.514965 3.610287 4.440401 5.189033 5.259982 23 O 4.384222 3.925996 3.556310 4.298887 5.217842 11 12 13 14 15 11 H 0.000000 12 H 2.886952 0.000000 13 H 1.768305 2.269316 0.000000 14 H 2.273957 1.768252 2.870212 0.000000 15 C 3.189236 5.049269 4.719991 3.674668 0.000000 16 O 4.111768 5.882453 5.403653 4.747347 1.403448 17 C 4.947138 6.068515 6.062839 4.983006 2.288847 18 C 3.633285 4.737764 5.033424 3.227135 1.345464 19 H 2.773463 5.142027 4.434778 3.811566 1.067321 20 H 5.041708 5.861806 5.862852 5.073359 2.972121 21 H 5.935292 7.133707 7.126860 5.971718 3.014463 22 H 3.770591 4.457160 5.123468 2.805240 2.244985 23 O 4.707712 5.414537 5.874007 4.144983 2.260437 16 17 18 19 20 16 O 0.000000 17 C 1.458435 0.000000 18 C 2.260452 2.288853 0.000000 19 H 2.064872 3.259532 2.245003 0.000000 20 H 2.083523 1.098398 2.972092 3.871022 0.000000 21 H 2.082411 1.096775 3.014498 3.922898 1.869221 22 H 3.321130 3.259569 1.067333 2.899233 3.870874 23 O 2.333734 1.458451 1.403438 3.321110 2.083566 21 22 23 21 H 0.000000 22 H 3.923109 0.000000 23 O 2.082395 2.064922 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 1.599936 -1.421082 0.343229 2 6 0 1.104085 -0.731421 1.381111 3 6 0 1.109599 0.730430 1.384271 4 6 0 1.604575 1.420831 0.346465 5 6 0 2.188002 0.771795 -0.873160 6 6 0 2.199237 -0.771212 -0.868199 7 1 0 1.596608 -2.509698 0.323458 8 1 0 0.677727 -1.226144 2.250936 9 1 0 0.692379 1.224532 2.258869 10 1 0 1.609164 2.509520 0.331288 11 1 0 1.630170 1.130486 -1.763324 12 1 0 3.246480 -1.127215 -0.972868 13 1 0 3.227203 1.141803 -1.004206 14 1 0 1.667462 -1.143160 -1.768581 15 6 0 -1.467104 0.673880 -1.155351 16 8 0 -2.081022 1.166636 0.006528 17 6 0 -2.447039 -0.001122 0.799879 18 6 0 -1.465757 -0.671583 -1.156245 19 1 0 -1.124387 1.451557 -1.801057 20 1 0 -1.839590 -0.001196 1.715020 21 1 0 -3.536049 -0.002230 0.930155 22 1 0 -1.120992 -1.447673 -1.802789 23 8 0 -2.078899 -1.167096 0.004859 --------------------------------------------------------------------- Rotational constants (GHZ): 1.7389751 0.7714369 0.7489575 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 360.7377683826 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) = -0.561805552637E-01 A.U. after 15 cycles NFock= 14 Conv=0.61D-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 -- -1.17686 -1.07174 -1.06692 -0.97583 -0.95398 Alpha occ. eigenvalues -- -0.94897 -0.88186 -0.81062 -0.79876 -0.76023 Alpha occ. eigenvalues -- -0.65695 -0.63379 -0.62701 -0.58870 -0.57863 Alpha occ. eigenvalues -- -0.57441 -0.57333 -0.53426 -0.51070 -0.50330 Alpha occ. eigenvalues -- -0.49019 -0.48527 -0.46290 -0.46272 -0.45723 Alpha occ. eigenvalues -- -0.42838 -0.41700 -0.41267 -0.32135 -0.31696 Alpha virt. eigenvalues -- 0.02288 0.03219 0.05458 0.07658 0.08243 Alpha virt. eigenvalues -- 0.10452 0.14573 0.15272 0.15702 0.16996 Alpha virt. eigenvalues -- 0.17099 0.17972 0.18263 0.18745 0.19428 Alpha virt. eigenvalues -- 0.20493 0.20647 0.21213 0.21666 0.21729 Alpha virt. eigenvalues -- 0.22194 0.22878 0.23244 0.23601 0.24228 Alpha virt. eigenvalues -- 0.24238 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.127589 0.000000 0.000000 0.000000 0.000000 0.000000 2 C 0.000000 4.163016 0.000000 0.000000 0.000000 0.000000 3 C 0.000000 0.000000 4.163065 0.000000 0.000000 0.000000 4 C 0.000000 0.000000 0.000000 4.127548 0.000000 0.000000 5 C 0.000000 0.000000 0.000000 0.000000 4.254786 0.000000 6 C 0.000000 0.000000 0.000000 0.000000 0.000000 4.254970 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 H 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 H 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 O 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 C 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 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 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 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 6 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 7 H 0.866055 0.000000 0.000000 0.000000 0.000000 0.000000 8 H 0.000000 0.859981 0.000000 0.000000 0.000000 0.000000 9 H 0.000000 0.000000 0.859975 0.000000 0.000000 0.000000 10 H 0.000000 0.000000 0.000000 0.866079 0.000000 0.000000 11 H 0.000000 0.000000 0.000000 0.000000 0.866561 0.000000 12 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.861436 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 O 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 C 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 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 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 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 6 C 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 H 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 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 13 H 0.861811 0.000000 0.000000 0.000000 0.000000 0.000000 14 H 0.000000 0.866725 0.000000 0.000000 0.000000 0.000000 15 C 0.000000 0.000000 4.021670 0.000000 0.000000 0.000000 16 O 0.000000 0.000000 0.000000 6.396622 0.000000 0.000000 17 C 0.000000 0.000000 0.000000 0.000000 3.797008 0.000000 18 C 0.000000 0.000000 0.000000 0.000000 0.000000 4.021288 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 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 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 C 0.000000 0.000000 0.000000 0.000000 0.000000 6 C 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 H 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 H 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 O 0.000000 0.000000 0.000000 0.000000 0.000000 17 C 0.000000 0.000000 0.000000 0.000000 0.000000 18 C 0.000000 0.000000 0.000000 0.000000 0.000000 19 H 0.814872 0.000000 0.000000 0.000000 0.000000 20 H 0.000000 0.867526 0.000000 0.000000 0.000000 21 H 0.000000 0.000000 0.869916 0.000000 0.000000 22 H 0.000000 0.000000 0.000000 0.814825 0.000000 23 O 0.000000 0.000000 0.000000 0.000000 6.396676 Mulliken charges: 1 1 C -0.127589 2 C -0.163016 3 C -0.163065 4 C -0.127548 5 C -0.254786 6 C -0.254970 7 H 0.133945 8 H 0.140019 9 H 0.140025 10 H 0.133921 11 H 0.133439 12 H 0.138564 13 H 0.138189 14 H 0.133275 15 C -0.021670 16 O -0.396622 17 C 0.202992 18 C -0.021288 19 H 0.185128 20 H 0.132474 21 H 0.130084 22 H 0.185175 23 O -0.396676 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.006356 2 C -0.022996 3 C -0.023040 4 C 0.006373 5 C 0.016841 6 C 0.016869 15 C 0.163459 16 O -0.396622 17 C 0.465550 18 C 0.163888 23 O -0.396676 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.7094 Y= -0.0005 Z= -0.9649 Tot= 1.1976 N-N= 3.607377683826D+02 E-N=-6.454885589006D+02 KE=-3.713626571217D+01 1|1| IMPERIAL COLLEGE-CHWS-264|SP|RPM6|ZDO|C9H12O2|IA2514|24-Jan-2017| 0||# pm6 geom=connectivity integral=grid=ultrafine||Title Card Require d||0,1|C,0,-1.55561,1.421183,0.627294|C,0,-0.879863,0.731394,1.558024| C,0,-0.884852,-0.730456,1.562032|C,0,-1.559855,-1.42073,0.631124|C,0,- 2.354682,-0.771544,-0.462461|C,0,-2.364685,0.771464,-0.455439|H,0,-1.5 55819,2.5098,0.607322|H,0,-0.302816,1.22601,2.336163|H,0,-0.316019,-1. 224666,2.346453|H,0,-1.567223,-2.509417,0.616956|H,0,-1.967527,-1.1302 05,-1.439036|H,0,-3.413515,1.12756,-0.368472|H,0,-3.400455,-1.141457,- 0.402941|H,0,-2.004938,1.143444,-1.43729|C,0,1.188688,-0.673901,-1.402 679|O,0,2.003046,-1.166805,-0.371401|C,0,2.50695,0.000857,0.342517|C,0 ,1.187329,0.671562,-1.403222|H,0,0.734504,-1.451496,-1.975598|H,0,2.07 5495,0.000903,1.352628|H,0,3.601531,0.001866,0.273184|H,0,0.731126,1.4 47735,-1.976488|O,0,2.000877,1.166928,-0.372499||Version=EM64W-G09RevD .01|State=1-A|HF=-0.0561806|RMSD=6.125e-009|Dipole=-0.3433101,0.000260 9,-0.3227089|PG=C01 [X(C9H12O2)]||@ WHEN HAVING A MEETING OF THE MINDS, MAKE SURE YOU HAVE THE EQUIPMENT FOR IT. Job cpu time: 0 days 0 hours 0 minutes 4.0 seconds. File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 2 Scr= 1 Normal termination of Gaussian 09 at Tue Jan 24 15:27:23 2017.