NIST 07181217303D 1 1.00000 -477.35165 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 8 7 0 0 0 0 0 0 0 0999 V2000 1.2154 0.3389 -0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8909 -0.0786 -0.1855 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3508 -0.0090 1.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7105 0.4685 -1.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6338 0.1437 0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4021 -0.2978 1.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7467 -0.7105 2.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2246 1.0042 1.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 M RAD 1 1 2 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2012-07-18 > 31533-72-9 > B3LYP/6-31G* > 1.4532 debye > -477.351645437 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 154.2339 0.2971 228.0072 3.2845 290.2775 2.1545 423.3857 74.5767 700.2481 1.6862 835.4749 5.7417 913.1422 0.1576 983.5303 5.4559 1046.9583 8.0593 1382.7118 5.2752 1433.9833 0.5364 1496.8699 8.4833 1512.2965 10.0625 3066.5674 22.8695 3150.3572 11.2405 3164.9436 4.3053 3172.5937 9.1557 3293.3676 2.6265 > 20.43430 GHz 7.93672 GHz 5.95586 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$