NIST 06161420163D 1 1.00000 -2070.61797 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 12 12 0 0 0 0 0 0 0 0999 V2000 6.3329 1.8617 -0.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3508 3.2284 -1.0339 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.8702 0.6111 -0.3371 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9496 2.0275 -0.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5903 0.3432 -0.2632 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0153 -0.4532 -0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0947 0.9632 -0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 -0.2874 -0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3746 1.2311 -0.5092 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6141 -1.6541 0.2614 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5341 2.9944 -0.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4308 -1.4201 0.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 5 1 0 7 9 1 0 8 10 1 0 1 3 1 0 3 6 2 0 6 8 1 0 8 7 2 0 7 4 1 0 1 4 2 0 4 11 1 0 6 12 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. > 2014-06-16 > 95-94-3 > B3LYP/6-31G* > 0.0000 debye > -2070.61797404 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 69.9201 0.0000 132.8138 0.5449 189.8185 0.0000 206.7129 0.1556 209.8051 0.3373 219.9551 0.0000 316.1063 0.0000 351.5098 0.0000 352.4671 0.0000 451.1893 4.9499 506.2216 11.5792 516.5574 0.0000 608.3929 0.0013 644.5329 76.5168 677.8283 0.0000 697.6442 0.0000 871.1895 0.0000 873.6937 0.0000 892.3819 31.3641 1063.2106 111.9388 1147.8923 73.8081 1183.0072 0.0000 1275.8652 0.0000 1310.2718 3.5735 1357.3302 43.0345 1488.8013 170.1731 1583.5274 0.0000 1617.2642 0.0000 3240.6840 1.8172 3242.0688 0.0000 > 1.12844 GHz 0.46556 GHz 0.32958 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$