NIST 06181413223D 1 1.00000 -1077.64925 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 14 13 0 0 0 0 0 0 0 0999 V2000 9.9935 19.9966 0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5245 20.0059 -0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0127 18.5525 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0773 20.7540 -1.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1613 20.8339 1.4838 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.2070 21.6229 -0.0733 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.6501 19.5369 0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6106 19.4237 -0.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1052 18.5216 0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6339 18.0261 0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6735 18.0214 -0.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1697 20.7089 -1.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7680 21.8009 -1.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7042 20.2863 -2.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 6 1 0 2 3 1 0 2 4 1 0 2 5 1 0 1 7 1 0 1 8 1 0 3 9 1 0 3 10 1 0 3 11 1 0 4 12 1 0 4 13 1 0 4 14 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. > 2014-06-18 > 594-37-6 > B3LYP/6-31G* > 3.2588 debye > -1077.64925062 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 104.0773 1.1541 188.9309 0.5397 242.9106 0.1148 278.0407 0.1266 288.9258 0.4956 312.3024 2.2913 361.0278 3.6160 380.0479 2.8013 469.3907 5.8622 565.0225 32.4944 752.8868 33.4820 832.7302 10.2848 902.1608 9.4350 955.1320 1.8432 987.4098 8.4484 1041.8310 0.2091 1144.7234 32.6040 1189.4445 10.6473 1251.2223 21.4876 1286.1395 7.0172 1349.6136 21.3940 1430.7199 7.9952 1449.9382 8.5514 1492.5314 2.9975 1508.9755 1.7776 1514.9869 3.6764 1524.5208 4.5526 1535.5315 10.0472 3053.2711 7.7626 3058.8715 21.0455 3098.2051 17.5344 3126.1878 9.3237 3132.2066 17.9101 3150.2206 13.4080 3167.8569 7.6547 3168.7208 6.1843 > 2.98096 GHz 1.56080 GHz 1.33502 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$