NIST 07081514493D 1 1.00000 -430.32401 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 16 16 0 0 0 0 0 0 0 0999 V2000 -0.2090 -1.0405 0.5326 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8819 -0.5794 -0.0991 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6441 0.4225 -0.9303 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 0.6623 -0.8655 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1453 -0.2380 0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4878 -0.3326 0.3183 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2123 -1.1563 0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3272 -2.5351 -0.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7331 -3.6020 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6907 -0.7422 1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9976 0.5240 0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -1.1698 1.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8882 -0.4514 -0.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0737 -2.6164 -1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9825 -3.5429 1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8321 -4.5764 -0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 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. > 2015-07-08 > 74999-26-1 > B3LYP/6-31G* > 2.6498 debye > -430.324011347 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 41.2039 1.7241 70.6305 0.5804 115.2591 1.9593 265.8892 12.5667 287.3817 22.1359 318.5740 6.0803 381.6508 2.1919 404.2995 7.9736 461.6654 0.1691 584.2336 26.5027 617.2629 276.7969 670.4733 6.8206 733.6480 1.9407 775.7942 37.4718 832.8407 34.7717 933.1780 17.2058 959.2872 34.4551 966.5438 2.2097 1029.8845 37.2796 1030.7616 11.4883 1102.0489 15.4526 1122.0184 2.3681 1142.1864 2.3184 1220.2053 9.6538 1264.2898 60.4685 1328.3890 3.1041 1368.4252 2.6561 1391.1610 19.7372 1395.0192 9.6720 1475.3025 5.7385 1488.1208 35.6010 1496.7430 8.3512 1594.9466 143.4844 1681.3110 221.8280 1736.5132 1.8362 3082.9619 14.4636 3133.6375 2.9172 3162.5655 9.8991 3175.8477 4.8930 3246.4145 13.0540 3568.0547 32.5164 3672.7292 28.9381 > 4.16151 GHz 0.97790 GHz 0.84077 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$