NIST 06201409503D 1 1.00000 -0.03323 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 9 8 0 0 0 0 0 0 0 0999 V2000 19.9673 18.9776 -0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6472 20.0092 -0.7704 Cl 0 0 0 0 0 0 0 0 0 0 0 0 21.3596 20.0280 0.4165 Cl 0 0 0 0 0 0 0 0 0 0 0 0 19.4433 18.1838 1.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5560 17.9230 -1.4074 Cl 0 0 0 0 0 0 0 0 0 0 0 0 19.4991 16.4488 1.0365 Cl 0 0 0 0 0 0 0 0 0 0 0 0 18.9457 18.7488 2.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3670 17.8104 3.5917 Cl 0 0 0 0 0 0 0 0 0 0 0 0 18.8186 20.4520 2.5194 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 4 6 1 0 4 7 2 0 7 8 1 0 7 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. > 2014-06-20 > 1888-71-7 > PM6 > 1.2175 debye > -0.332278787037E-01 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 33.3843 0.0602 65.2634 0.0359 120.1032 1.2562 150.2181 0.1499 196.0150 0.9124 201.3630 0.0260 235.9843 1.8493 266.2405 0.8841 279.7727 1.8156 372.4706 0.3325 391.4107 0.7121 402.9985 1.5872 504.0421 0.4969 595.3421 1.6997 723.7212 129.6996 819.2950 323.5451 837.3744 174.7682 914.5201 55.8438 955.9014 265.8702 1202.9350 87.9054 1725.4456 150.7744 > 0.86765 GHz 0.56621 GHz 0.42461 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$