NIST 06171410183D 1 1.00000 -395.83829 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 14 14 0 0 0 0 0 0 0 0999 V2000 6.8269 3.9600 -1.2301 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2468 2.8367 -0.9287 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3022 1.8103 -0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5798 5.0367 -1.5188 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8361 0.5596 -0.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9137 1.9916 -0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9819 -0.5033 -0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0697 0.9190 -0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5962 -0.3304 -0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9145 0.4418 -0.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4966 2.9613 -0.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4017 -1.4715 0.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9937 1.0648 -0.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9330 -1.1617 0.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 4 3 0 2 3 1 0 3 5 1 0 5 7 2 0 7 9 1 0 9 8 2 0 8 6 1 0 3 6 2 0 5 10 1 0 6 11 1 0 7 12 1 0 8 13 1 0 9 14 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 > 622-37-7 > B3LYP/6-31G* > 1.9496 debye > -395.838288430 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 71.0627 0.0660 140.5057 0.7194 237.0916 0.1311 382.6230 2.4215 419.9277 0.0088 471.5893 0.1411 505.1986 1.7649 541.3494 12.1724 631.0644 0.1295 680.7766 22.0802 701.9196 13.0862 769.3329 50.9937 826.8101 5.7479 845.9676 0.0193 912.9016 5.1216 965.2915 0.0688 992.9695 0.3116 1016.8050 0.2195 1054.2335 2.6376 1114.1266 7.3293 1164.7955 15.8933 1192.6103 0.1117 1211.2811 1.7572 1344.5924 15.5434 1367.4053 44.5483 1378.3041 110.0892 1502.9990 1.2505 1541.7345 78.3432 1641.6883 6.3026 1658.5968 49.1123 2263.3898 730.7204 3186.9185 2.8432 3194.4945 2.6362 3202.5803 17.4877 3213.3875 21.0829 3221.1953 6.9005 > 4.87659 GHz 1.07957 GHz 0.88390 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$