NIST 06201410503D 1 1.00000 -301.44889 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 10 9 0 0 0 0 0 0 0 0999 V2000 -1.3720 2.1911 0.2665 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8945 1.1884 0.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2451 -0.0703 0.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8406 -0.5764 -0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0738 0.1989 -1.1059 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4202 -1.6198 0.2246 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2297 0.0231 1.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9948 -0.8642 1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 -0.1063 -1.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5761 1.0600 -1.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 5 9 1 0 0 0 0 5 10 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. > 2014-06-20 > 107-91-5 > B3LYP/6-31G* > 0.8787 debye > -301.448890318 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 44.5008 11.5572 162.0493 16.8027 285.8213 251.3276 363.7723 1.4903 397.4349 5.8617 493.5960 7.1750 503.7191 7.4540 579.5001 9.9974 674.8014 11.6971 846.9593 6.6121 961.6989 5.0859 971.6849 1.1528 1114.4979 0.4035 1235.9294 0.1996 1313.6536 31.9089 1368.1623 120.9729 1470.6229 4.7527 1647.2101 122.8970 1827.6259 368.2455 2362.3998 10.2848 3082.0836 0.8968 3122.3244 0.1366 3591.5623 45.0042 3714.7592 62.0306 > 9.21501 GHz 2.35278 GHz 1.89615 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$