NIST 08031215063D 1 1.00000 -990.51558 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 7 6 0 0 0 0 0 0 0 0999 V2000 0.1853 -0.0519 -0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6337 0.9956 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0701 2.7642 0.0001 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6101 3.4897 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6563 4.0052 0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2136 0.7927 0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2135 0.7928 -0.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 3 0 2 6 1 0 2 7 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 > 3268-79-9 > B3LYP/6-31G* > 2.2060 debye > -990.515576786 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 48.2414 9.4335 117.4913 9.5847 246.5216 0.1173 395.4125 3.6637 429.2940 0.8535 685.1224 1.2568 718.8725 14.1773 752.4954 56.8985 897.9081 3.2508 1154.0363 0.0567 1291.7711 57.8378 1491.1828 0.4706 2278.2721 12.2145 3131.4413 2.7687 3209.6451 0.0350 > 13.95622 GHz 1.34968 GHz 1.24051 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$