NIST 07251215353D 1 1.00000 -155.28732 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 9 9 0 0 0 0 0 0 0 0999 V2000 -0.4049 -1.0430 0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.2220 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3115 1.0711 -0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0129 -0.3222 0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9914 0.5691 -0.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5308 1.6731 -0.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5107 1.7504 0.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6427 -0.4715 0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6621 -0.5487 -0.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 M CHG 1 1 -1 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2012-07-25 > B2773 > B3LYP/6-31G* > 3.4372 debye > -155.287318329 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 275.4831 5.4777 664.7657 4.4740 753.1748 2.7868 847.3823 6.0676 852.9846 9.0881 900.4654 0.4425 995.6215 0.1884 1008.9028 1.6094 1051.9646 0.7129 1177.6529 0.0875 1180.1369 1.6993 1223.0030 3.7893 1254.8498 4.0539 1488.6615 13.2688 1491.6770 12.7334 1523.3237 19.9214 2838.3029 363.4369 2844.5119 124.7676 2908.6820 338.3650 2931.0085 219.8626 2943.3890 174.9992 > 13.53265 GHz 12.50377 GHz 7.07500 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$