NIST 07011508043D 1 1.00000 -152.53114 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 5 4 0 0 0 0 0 0 0 0999 V2000 0.9632 0.4016 0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0788 0.8518 0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2637 1.4178 0.2459 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0148 -0.0115 -0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9574 0.7413 0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 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. > 2015-07-01 > 32038-79-2 > B3LYP/6-31G* > 1.8045 debye > -152.531144491 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 365.9070 10.0989 398.4057 15.7488 527.6770 41.0163 626.5864 41.8058 1090.7396 82.0814 1267.8539 104.0341 2302.9124 106.5922 3515.8052 80.7902 3699.0450 73.1502 > 661.02861 GHz 9.66057 GHz 9.52142 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$