NIST 08031215033D 1 1.00000 -1918.18600 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 8 7 0 0 0 0 0 0 0 0999 V2000 0.4082 0.6615 -0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9482 0.6830 -0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2348 0.6299 -1.7414 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2345 2.0987 0.8029 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5911 0.7148 1.6020 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5911 -0.7542 -0.9421 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0404 -0.2259 0.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 1.5703 -0.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 4 1 0 2 5 1 0 1 3 1 0 2 6 1 0 1 7 1 0 2 8 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. > 2012-08-03 > 25322-20-7 > B3LYP/6-31G* > 0.0004 debye > -1918.18599891 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 55.7350 0.1264 168.0987 0.5663 227.6171 0.0000 292.2389 0.0000 296.1123 1.1696 322.6963 15.6710 364.2463 0.0000 707.6360 75.6943 735.6543 230.7284 765.2345 0.0001 791.3269 0.0000 1039.1705 0.0000 1228.5519 16.2562 1255.9305 38.0730 1263.8917 0.0000 1361.0504 0.0000 3173.3291 0.0000 3185.1866 1.9449 > 1.63225 GHz 1.30406 GHz 0.74151 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$