NIST 06191413533D 1 1.00000 -607.39011 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 -0.0176 0.4050 0.0472 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5845 -0.4873 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7177 0.5410 -0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -0.0082 -0.0826 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5246 1.7441 -0.0191 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7627 -0.7240 0.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -1.1084 -0.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7046 -1.1429 0.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7538 0.6218 -0.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1261 -0.9909 -0.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 1 2 1 0 3 4 1 0 3 5 2 0 1 6 1 0 2 7 1 0 2 8 1 0 4 9 1 0 4 10 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. > 2014-06-19 > 758-08-7 > B3LYP/6-31G* > 5.1678 debye > -607.390105010 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 35.9229 0.0903 182.5342 232.6521 196.0568 11.7252 271.0640 21.6529 385.9376 1.7939 486.5942 11.5656 580.9073 20.5714 631.7486 14.5038 744.8516 1.4314 860.5648 0.2087 931.0279 9.8382 974.2536 6.2292 1104.9684 3.2301 1177.8188 0.7989 1260.4046 127.4140 1388.0298 87.0132 1490.6445 17.4017 1647.1027 105.2207 1814.5483 242.9918 2662.3849 38.6619 3059.8107 20.6326 3105.8300 6.4190 3589.4510 36.6018 3713.6269 34.6688 > 10.07988 GHz 2.36721 GHz 1.94072 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$