NIST 07081517023D 1 1.00000 -2683.84788 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 18 19 0 0 0 0 0 0 0 0999 V2000 1.2313 1.4182 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4409 0.7473 -0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4626 -0.6807 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2761 -1.3916 -0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0148 -0.7229 -0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2154 -1.4312 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4064 -0.7459 -0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4445 0.6647 -0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2651 1.3699 -0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0068 0.7105 -0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9194 -1.6312 -0.0011 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3106 -3.1369 -0.0060 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9903 -1.5070 -0.0138 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9413 1.6221 -0.0205 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2094 3.1646 -0.0196 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2112 -2.5129 -0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3989 1.1795 -0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2907 2.4523 -0.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 15 1 0 0 0 0 2 3 2 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2015-07-08 > 67922-26-3 > B3LYP/6-31G* > 1.5266 debye > -2683.84787507 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 49.5812 0.0347 70.9355 0.2151 89.5773 0.4939 135.1595 0.0123 146.6901 0.0215 219.4407 0.0388 220.3677 0.0495 225.9189 0.0644 239.4987 0.0196 279.1572 0.2677 321.1272 0.0013 325.7103 0.5307 350.2511 0.5554 352.4406 1.8338 379.2378 0.2031 448.4097 2.4696 462.3025 15.2416 530.3096 16.8010 568.1268 3.5496 617.1132 0.1723 627.1916 15.1016 661.9224 0.5123 671.4847 16.6162 731.9956 46.5386 753.0221 0.4399 793.3494 15.3694 833.2766 27.7371 898.1613 11.7734 919.5606 42.6317 954.2016 28.9899 975.3288 0.0264 1016.3631 26.6841 1122.4209 62.0500 1185.6252 8.5105 1208.8418 69.1426 1283.0083 34.2031 1320.6942 40.6664 1341.7191 76.9356 1387.1170 6.4155 1416.4891 5.3031 1431.9208 10.1664 1521.3683 50.5035 1587.2539 38.1200 1595.1026 17.1032 1658.3454 47.7253 3227.1558 0.5232 3247.5834 1.0650 3259.1739 1.4965 > 0.49561 GHz 0.24889 GHz 0.16568 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$