NIST 08031215043D 1 1.00000 -306.01695 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 17 17 0 0 0 0 0 0 0 0999 V2000 -3.9360 -3.8249 0.6709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2338 -2.4716 0.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1077 -1.4297 -0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0287 -1.7274 1.7592 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2982 -0.5246 -1.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7038 -0.6841 0.8428 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8367 -0.7469 1.9382 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3256 -4.4902 1.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9002 -3.6842 1.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1152 -4.3290 -0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2855 -2.6412 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9098 -1.9214 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3222 -2.0014 2.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8529 -1.1054 -2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9346 0.2475 -1.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4889 -0.0268 -0.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9323 0.2868 0.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 5 1 0 2 4 1 0 4 7 2 0 7 6 1 0 6 3 1 0 2 3 1 0 1 8 1 0 1 9 1 0 1 10 1 0 2 11 1 0 3 12 1 0 4 13 1 0 5 14 1 0 5 15 1 0 5 16 1 0 6 17 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 > 28019-94-5 > B3LYP/6-31G* > 2.3642 debye > -306.016945331 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 108.9978 0.6031 224.6046 0.5291 241.2145 0.6108 262.0357 0.2998 301.0742 0.5307 332.7572 1.0222 493.1708 4.2296 590.0608 11.2800 686.2314 128.6484 754.5050 50.5360 800.4097 0.2723 818.0583 15.4460 837.2050 5.1692 912.8886 14.6140 971.9724 15.6730 1020.0685 1.9231 1023.9050 1.0625 1056.0219 3.8411 1076.1242 7.1170 1102.5076 5.0605 1135.7803 7.0028 1175.3121 1.2605 1277.8750 0.8455 1308.9824 2.6216 1331.5376 2.6001 1360.6974 5.1607 1386.4019 1.2647 1431.1583 2.0300 1431.4710 6.3537 1447.7068 25.7267 1523.5569 6.3112 1524.3117 5.1786 1526.8211 3.1700 1529.0089 2.5289 1676.5951 7.8873 3041.2699 15.6212 3045.7232 33.9620 3047.4436 21.4026 3064.3195 24.4881 3107.4424 25.2116 3112.5022 22.1147 3119.2336 36.8036 3126.9009 25.5830 3217.6162 10.8511 3532.9560 2.4262 > 3.54735 GHz 2.77411 GHz 2.01134 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$