NIST 06171419353D 1 1.00000 -1067.93562 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 11 10 0 0 0 0 0 0 0 0999 V2000 0.8565 2.7493 0.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8136 1.5756 -0.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9267 0.5532 -0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 1.1095 -1.2469 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5595 -0.6759 0.3825 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8505 -1.6409 0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -2.9698 0.4879 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7231 3.0139 0.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0474 3.4681 0.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7781 0.9834 0.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2524 0.3316 -1.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 3 5 1 0 2 3 1 0 5 6 2 0 1 2 2 0 6 7 2 0 1 8 1 0 1 9 1 0 3 10 1 0 3 11 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. > 2014-06-17 > 14214-31-4 > B3LYP/6-31G* > 4.0114 debye > -1067.93562128 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 23.7042 0.6804 45.9059 0.2097 127.5281 13.4564 226.9487 1.1203 363.8513 2.5553 388.6199 2.6577 447.8024 3.6680 470.4952 20.9177 566.0511 5.0310 644.8996 46.7321 697.1372 18.5744 753.9567 36.2177 927.8376 44.8331 933.5680 5.2161 988.2279 5.4500 1144.5708 4.9597 1185.2844 35.7410 1297.2744 33.1645 1381.6471 72.2107 1452.1636 16.8054 1507.7310 11.1224 1716.7670 22.9075 2167.5107 1194.7718 3048.7816 25.3683 3113.3436 13.2222 3184.1735 0.7999 3274.4233 1.4403 > 3.37678 GHz 0.91547 GHz 0.76840 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$