NIST 07141411353D 1 1.00000 -1012.59222 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 9 9 0 0 0 0 0 0 0 0999 V2000 -5.3601 1.0867 0.5298 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7462 0.8622 -0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9539 -0.1858 -0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6812 -0.1316 -1.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4364 1.8428 0.4804 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.9581 -0.7320 -1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0028 -0.4486 -0.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7645 -0.4194 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1210 -1.5398 -1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 2 4 2 0 4 6 1 0 6 3 2 0 3 1 1 0 2 1 1 0 3 7 1 0 4 8 1 0 6 9 1 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. > 2014-07-14 > 96-43-5 > B3LYP/6-31G* > 1.8013 debye > -1012.59221956 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 210.1008 0.4015 260.5618 0.0701 434.8863 3.9874 462.4348 2.9628 560.1298 0.6872 649.7232 5.5068 695.9006 63.8067 735.9215 0.2579 830.3010 10.5493 850.9380 18.2408 909.5216 0.4960 1006.9516 50.5352 1078.1061 10.1125 1122.5070 2.3272 1258.4404 8.7104 1390.7495 1.5074 1476.8794 38.1910 1586.2804 10.6268 3226.5840 5.5513 3248.0697 0.9074 3272.4314 0.6982 > 5.32693 GHz 1.84057 GHz 1.36792 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$