NIST 07081515003D 1 1.00000 -3049.11781 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 0.9796 -0.0014 -0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4481 -0.6462 -1.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5386 -0.6015 -1.3857 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.8208 -0.0703 -0.0373 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6385 1.0320 -0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6349 -0.5475 0.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7263 -1.6962 -1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7534 -0.1133 -2.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0535 0.8249 -1.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 4 9 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. > 2015-07-08 > 6982-46-3 > B3LYP/6-31G* > 1.1777 debye > -3049.11781070 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 107.3013 3.9677 190.0736 3.6979 232.2243 18.0586 247.4728 8.6184 609.5963 56.3192 707.2777 3.1609 747.8759 2.3300 847.0299 6.6155 1013.0449 2.2749 1059.4100 0.8284 1162.5144 16.8883 1239.0876 46.7456 1313.0199 0.4906 1324.6559 2.1269 1505.8042 3.9666 1511.2116 2.2167 2675.0262 19.2685 3101.6983 4.1919 3129.2833 8.3010 3153.0482 1.7279 3201.3137 3.2048 > 26.24611 GHz 0.96409 GHz 0.94620 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$