NIST 06201415393D 1 1.00000 0.01632 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 13 12 0 0 0 0 0 0 0 0999 V2000 52.0737 10.7800 0.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 50.7983 10.0126 0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 49.4636 11.1403 -0.3820 S 0 0 0 0 0 0 0 0 0 0 0 0 53.1766 10.5857 -0.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 48.0124 10.0609 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 52.0613 11.5464 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 50.9338 9.1896 -0.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 50.4638 9.5933 1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 54.0797 11.1656 -0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 53.2190 9.8373 -1.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 47.1324 10.6274 -0.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 48.0776 9.1501 -0.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 47.8990 9.7950 0.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 4 2 0 2 3 1 0 3 5 1 0 1 6 1 0 2 7 1 0 2 8 1 0 4 9 1 0 4 10 1 0 5 11 1 0 5 12 1 0 5 13 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. > 2014-06-20 > 10152-76-8 > PM6 > 1.7324 debye > 0.163215733528E-01 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 26.2238 2.1771 45.0565 1.4490 102.0829 1.6195 193.1140 0.9876 287.7233 0.7679 420.4920 2.0672 577.2205 2.4739 761.7120 16.2441 773.9022 2.0996 855.4449 6.3034 910.7527 15.3943 931.1009 36.8375 961.8904 21.3835 968.2214 1.6315 1043.0195 73.9902 1047.0079 19.2600 1202.3425 3.3018 1212.0748 18.5310 1231.9612 51.4411 1241.0217 45.5601 1273.3500 0.3836 1279.3824 66.3519 1288.1145 27.3126 1338.6920 12.1640 1785.1877 9.4570 2665.7394 38.4311 2682.0917 92.2605 2687.9872 76.1184 2722.3823 27.8268 2733.0016 42.5280 2750.5766 108.8872 2774.1219 92.0474 2789.9476 116.8117 > 13.44752 GHz 1.87089 GHz 1.77760 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$