NIST 06271419333D 1 1.00000 -329.31073 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 21 22 0 0 0 0 0 0 0 0999 V2000 -2.5354 2.0529 0.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1480 1.0841 1.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 0.0847 0.9728 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0072 0.3020 2.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7289 1.2061 -0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1903 -0.6796 -0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2235 -0.4720 1.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7869 -0.2337 -0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8869 2.7790 1.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3304 2.6266 0.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7244 1.6420 2.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8852 0.6205 0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5152 -0.6102 1.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 -0.3879 3.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3478 0.9949 2.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1167 1.3495 -1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6734 1.5017 -0.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5723 -0.5294 -1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2005 -1.7592 0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1699 -0.1702 1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2436 -1.5525 1.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 7 4 1 0 4 2 1 0 2 1 1 0 1 5 1 0 5 8 1 0 7 8 1 0 8 6 1 0 6 3 1 0 2 3 1 0 1 9 1 0 1 10 1 0 2 11 1 0 3 12 1 0 3 13 1 0 4 14 1 0 4 15 1 0 5 16 1 0 5 17 1 0 6 18 1 0 6 19 1 0 7 20 1 0 7 21 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. > 2014-06-27 > 100-76-5 > B3LYP/6-31G* > 1.0198 debye > -329.310726650 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 81.0599 0.0000 304.4450 0.3884 305.6170 0.3804 406.9594 0.0076 408.1160 0.0094 551.9739 0.2875 552.7030 0.2785 612.8068 7.4070 787.2706 13.8996 803.6062 3.9420 809.9609 0.0001 837.6243 2.8678 838.6279 2.8572 886.2758 0.0850 887.7282 0.0859 975.4288 22.4366 978.3902 0.1990 1008.5620 5.6334 1009.7123 5.7090 1023.7848 0.3424 1077.0003 17.8170 1077.8155 17.9601 1147.3888 0.9885 1148.9515 0.9852 1182.8655 0.0006 1241.4080 4.5643 1241.8773 4.5409 1279.8918 0.0006 1315.2690 1.6913 1316.1183 1.6806 1354.4144 0.1564 1354.6718 0.1086 1367.4203 5.3118 1368.2954 5.3724 1371.0601 3.9465 1393.6119 1.4318 1394.8978 1.4718 1404.1637 10.0540 1510.8602 0.6570 1511.1318 0.6654 1524.5327 1.9471 1525.8028 5.2889 1525.8318 5.3354 1543.9541 0.1978 3036.9602 32.4626 3037.2962 19.3130 3037.7596 17.8407 3051.0649 84.6998 3051.4193 84.8104 3056.2960 74.4527 3068.5235 0.2528 3071.0509 36.4381 3071.4257 9.1100 3071.9724 9.1674 3093.4845 0.1201 3100.4483 93.4367 3100.7710 93.4456 > 2.53373 GHz 2.41098 GHz 2.41071 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$