NIST 07251215363D 1 1.00000 -1265.97525 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 16 16 0 0 0 0 0 0 0 0999 V2000 -0.6565 -1.2530 -0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4115 -0.0733 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 1.1740 -0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5942 1.2424 -0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3934 0.0869 -0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7377 -1.1459 -0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2027 -2.4946 -0.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8986 0.1559 -0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3451 2.8363 -0.0763 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.1701 -0.1879 0.0021 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3921 2.0778 -0.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3116 -2.0673 -0.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 -2.4119 -0.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3324 -0.8475 -0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2919 0.6853 0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2506 0.7001 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 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. > 2012-07-25 > 1124-07-8 > B3LYP/6-31G* > 0.9206 debye > -1265.97525054 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 97.5859 0.2466 139.2594 0.1564 154.4249 0.0478 201.8367 0.8073 252.8370 2.0256 258.4775 0.0053 305.2850 6.3840 361.1549 2.2871 368.6600 1.9272 402.4575 2.0852 418.0163 116.3559 454.9401 0.0137 554.5628 9.6867 613.3564 1.5896 620.9672 0.0557 690.1694 1.2643 709.4196 69.2816 747.4483 11.8352 867.3716 0.5052 884.3713 26.9954 999.8427 16.6168 1038.9335 12.1144 1073.5571 3.9900 1087.0757 26.1844 1201.1835 41.1508 1235.8789 118.8928 1287.4364 18.9655 1313.4239 32.7297 1363.3954 86.2123 1444.8216 1.5119 1463.9206 2.8530 1509.9711 7.4579 1510.0002 66.8362 1529.6727 134.7789 1622.5139 46.9121 1659.7089 5.0114 3056.1704 16.1669 3111.5678 10.7238 3141.1045 14.8178 3212.0204 3.4001 3239.9740 0.1840 3699.4225 77.5158 > 1.64530 GHz 0.64047 GHz 0.46232 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$