NIST 06201409393D 1 1.00000 -95.19561 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 6 5 0 0 0 0 0 0 0 0999 V2000 -0.6501 0.0646 -0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6896 -0.1555 0.2076 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0323 1.0591 0.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3216 -0.7727 0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0592 -1.0469 -0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 0.5928 -0.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 M RAD 1 1 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. > 2014-06-20 > 10507-29-6 > B3LYP/6-31G* > 1.2003 debye > -95.1956130366 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 456.0459 42.8265 689.0880 228.4569 794.9340 84.9571 958.4431 0.2275 1226.3562 19.3491 1347.2424 3.0848 1498.0199 3.7561 1687.6947 31.7964 3149.4346 20.1165 3254.5969 28.5969 3508.2290 1.5266 3608.4820 2.9791 > 144.10243 GHz 27.28175 GHz 23.76667 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$