NIST 08091311113D 1 1.00000 0.06740 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 30 32 0 0 0 0 0 0 0 0999 V2000 -2.3824 1.3368 -0.8966 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5694 1.0214 -0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 0.0649 0.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5129 -0.5753 1.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2466 -0.2931 0.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0774 -0.9375 1.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1747 -0.6775 0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3825 -1.3370 0.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5694 -1.0216 0.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6421 -0.0651 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 0.5751 -1.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2467 0.2930 -0.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0775 0.9373 -1.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1747 0.6773 -0.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3411 2.3552 -2.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4829 1.5152 -0.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6048 -0.1501 1.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5582 -1.3070 2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1615 -1.6622 1.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3412 -2.3553 2.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 -1.5154 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6048 0.1499 -1.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5582 1.3068 -2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1616 1.6621 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3404 2.7540 -2.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6862 3.2007 -1.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9632 1.9210 -2.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3404 -2.7542 2.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9634 -1.9211 2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6862 -3.2009 1.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 1 14 1 0 1 15 1 0 3 2 1 0 2 16 1 0 4 3 2 0 3 17 1 0 5 4 1 0 4 18 1 0 5 6 1 0 5 14 2 0 6 7 2 0 6 19 1 0 7 8 1 0 7 12 1 0 8 9 2 0 8 20 1 0 9 10 1 0 9 21 1 0 10 11 2 0 10 22 1 0 11 12 1 0 11 23 1 0 12 13 2 0 13 14 1 0 13 24 1 0 15 25 1 0 15 26 1 0 15 27 1 0 20 28 1 0 20 29 1 0 20 30 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. > 2013-08-09 > 15815-48-2 > PM6 > 0.0000 debye > 0.673994205602E-01 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 53.0660 0.4499 81.1660 0.3848 108.0055 0.0000 109.4887 1.4814 131.4336 0.0000 185.9815 0.5333 193.3936 3.6877 210.9363 0.0000 262.8187 0.0000 281.3637 0.0000 365.6527 13.6692 379.5020 0.0000 392.5895 4.1210 436.8910 2.1929 451.0653 0.0000 473.2277 0.0000 504.6429 4.1351 514.3675 0.5391 523.1788 0.0000 557.8969 0.0000 559.6877 0.0000 627.8291 1.5323 719.3917 17.0263 734.3748 0.0000 762.8923 0.0000 775.1480 1.5174 815.8175 62.8227 821.9004 0.0000 844.6472 0.0000 878.5341 1.0779 902.6035 40.2110 902.6979 0.0000 926.9784 64.8478 934.4428 0.0000 974.0896 0.0000 975.2284 6.9478 994.3017 25.8982 999.2026 0.0000 1023.9896 0.0000 1024.4117 113.4410 1063.5038 12.1635 1086.7845 0.0000 1130.7824 11.7744 1150.6693 0.0000 1158.4431 7.7606 1200.3125 2.3557 1206.1818 0.0000 1237.4125 0.0001 1237.4940 89.7752 1244.7618 0.0002 1244.8511 96.0944 1252.7193 5.9567 1263.9810 0.0000 1284.5303 10.9010 1297.1225 0.0000 1334.9801 264.0491 1336.5936 0.0000 1343.0960 0.0000 1371.2242 50.1741 1400.2867 0.0000 1408.5364 11.1682 1471.3918 0.0000 1488.4267 9.1085 1514.5729 14.9693 1558.8763 0.0000 1625.9366 0.0000 1632.5101 49.1653 1653.7743 0.0000 1708.1733 0.0000 1713.2294 26.2218 2687.9761 0.0001 2688.1650 154.3997 2690.7633 96.2033 2690.7969 0.0032 2748.0063 125.7751 2749.9025 0.0026 2749.9908 49.2881 2752.6400 0.0000 2759.2289 284.1388 2759.2527 0.0027 2765.2476 455.4112 2766.9788 0.0000 2785.0339 118.9401 2785.5356 0.0000 > 1.13590 GHz 0.36997 GHz 0.28006 GHz > Gaussian 09, Revision D.01 > Mariya Shevchuk $$$$