NIST 08031215113D 1 1.00000 -430.82546 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 11 11 0 0 0 0 0 0 0 0999 V2000 -5.0064 -0.7321 0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0752 0.2388 -0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7444 -0.4607 0.2403 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3848 0.7927 -0.1086 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2266 1.8534 -0.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5683 1.4967 -0.3703 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8187 2.9556 -0.7402 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2680 0.0015 0.0105 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2953 -1.7389 0.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3902 0.9745 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2381 2.2247 -0.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 2 0 5 7 2 0 4 3 1 0 3 1 2 0 1 2 1 0 2 6 1 0 6 5 1 0 4 5 1 0 1 9 1 0 4 10 1 0 6 11 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. > 2012-08-03 > 461-89-2 > B3LYP/6-31G* > 1.6309 debye > -430.825463182 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 145.6155 1.6327 156.8794 1.3763 380.1328 23.9830 405.0459 6.4554 523.5763 4.9040 535.2041 26.0228 557.9067 13.4407 606.7909 47.4044 699.7396 144.7610 735.6220 40.3690 744.5876 9.7363 755.3359 14.3922 890.9596 17.9596 977.1999 21.4967 1007.9725 10.0167 1133.5632 26.5913 1239.1587 40.5596 1362.2108 34.6770 1397.3352 43.5116 1417.0229 88.4306 1473.0341 36.3093 1655.0419 25.4930 1816.1413 489.2450 1851.3536 482.5817 3242.6860 0.0931 3591.9105 62.1269 3634.4452 90.9784 > 3.93630 GHz 2.03844 GHz 1.34297 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$