NIST 07061513213D 1 1.00000 -168.85076 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 4 3 0 0 0 0 0 0 0 0999 V2000 1.1648 0.6768 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3236 1.3671 0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4213 1.9601 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1539 0.0813 -0.0545 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 3 0 0 0 0 2 3 3 0 0 0 0 M RAD 1 3 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. > 2015-07-06 > 12543-75-8 > B3LYP/6-31G* > 0.9762 debye > -168.850755638 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 217.9366 18.9026 444.7889 0.5866 489.4070 36.3588 908.1078 18.8568 1630.7070 768.3946 2158.6528 169.0809 > 1019.67208 GHz 4.91308 GHz 4.88952 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$