NIST 06201415203D 1 1.00000 -228.58119 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 34.9627 30.9916 -0.0032 N 0 0 0 0 0 0 0 0 0 0 0 0 33.8581 30.2576 0.2981 N 0 0 0 0 0 0 0 0 0 0 0 0 32.6248 30.9725 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8510 28.8252 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 36.0910 30.4280 -0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7644 32.0179 0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 32.3500 30.9302 -1.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8051 30.5472 0.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 34.5968 28.3273 0.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 32.8673 28.4304 0.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 34.0654 28.5749 -0.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 36.9368 31.0867 -0.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 36.2725 29.3520 -0.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 5 2 0 2 3 1 0 2 4 1 0 3 6 1 0 3 7 1 0 3 8 1 0 4 9 1 0 4 10 1 0 4 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 > 2035-89-4 > B3LYP/6-31G* > 1.8713 debye > -228.581189099 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 171.5725 9.9011 217.3812 3.4195 247.2555 3.0001 293.7441 5.6424 362.7128 1.0090 432.1872 1.4578 596.9615 14.9207 789.2176 0.9898 804.0524 13.7012 891.8387 37.4594 1045.7867 63.5569 1064.9998 16.9334 1129.8276 2.4062 1172.2302 25.2851 1209.2893 13.4803 1312.6847 21.0835 1328.4976 9.6270 1453.2284 1.4759 1471.6958 7.6508 1504.7111 7.7645 1510.0797 8.4114 1520.0050 8.3356 1537.1063 7.5183 1546.2285 21.6333 1677.8247 35.2952 2980.2666 39.6007 2992.3083 104.7868 3085.0465 23.0912 3095.6638 38.7073 3118.1745 21.6079 3146.3591 17.3323 3164.7904 13.1451 3224.7942 22.0825 > 8.66516 GHz 4.42172 GHz 3.09064 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$