NIST 08031215063D 1 1.00000 -150.89916 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 3 2 0 0 0 0 0 0 0 0999 V2000 0.0657 -0.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3969 0.0244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1729 -0.9552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 M RAD 1 2 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. > 2012-08-03 > 3170-83-0 > B3LYP/6-31G* > 2.2701 debye > -150.899156289 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 1178.9520 27.0119 1455.5966 37.9414 3527.7340 8.8337 > 609.33953 GHz 33.55478 GHz 31.80344 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$