NIST 06301516323D 1 1.00000 -997.77857 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 6 5 0 0 0 0 0 0 0 0999 V2000 2.1488 1.5042 0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8187 1.4531 0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2096 0.1344 0.0738 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6605 2.4580 0.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2334 2.3649 0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1306 0.0060 -0.0024 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 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. > 2015-06-30 > 156-59-2 > B3LYP/6-31G* > 2.0479 debye > -997.778565178 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 167.2274 0.2585 419.3587 0.0001 574.2847 6.7890 709.9699 23.8612 715.9036 56.5421 856.8387 86.8550 898.5414 0.0000 1234.7072 0.0352 1336.6645 27.8819 1672.8978 36.5992 3228.0810 11.9252 3248.1355 2.7091 > 11.65367 GHz 2.41729 GHz 2.00202 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$