NIST 07061513083D 1 1.00000 -352.58630 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 25 25 0 0 0 0 0 0 0 0999 V2000 3.4826 -1.0499 0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2700 -2.0097 1.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1564 -1.0715 2.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3685 0.2345 2.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 0.1293 1.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6811 1.3076 3.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8748 1.4609 3.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 2.6077 3.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9959 2.8015 4.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5931 -1.5083 0.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 -0.7069 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8475 -2.7576 0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5716 -2.5524 2.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3972 -1.4963 3.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1156 -0.8972 1.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9406 1.0637 0.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2577 -0.1132 1.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0268 2.1804 2.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5332 1.6615 4.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4463 0.5254 4.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1767 2.4088 2.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2325 3.5402 3.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6437 3.6222 4.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6546 3.0333 5.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6112 1.8949 4.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 2 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 6 2 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 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. > 2015-07-06 > R10753 > B3LYP/6-31G* > 0.2850 debye > -352.586299013 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 36.5906 0.0323 58.6913 0.0697 84.7657 0.0019 108.9073 0.2732 216.7159 0.1157 246.1586 0.0123 250.0017 0.0094 305.1369 0.2528 347.3459 1.9393 447.0846 1.6143 517.7293 0.8576 572.7797 0.2207 596.6770 4.6105 746.3931 0.5972 767.6764 3.3523 833.6207 2.2026 871.3271 0.9069 873.8503 0.3483 895.8730 1.7442 910.2528 7.2935 914.7451 1.6558 930.3240 0.5086 969.2068 2.9672 1023.0597 0.4834 1041.8361 1.3781 1055.2824 0.8866 1064.7348 8.9358 1109.1167 0.7295 1120.8946 1.0109 1163.9560 0.4380 1187.9069 1.0074 1207.7314 1.8617 1254.7735 2.8643 1265.5005 1.0322 1278.2788 0.4993 1309.3975 12.1643 1319.5262 1.6208 1337.0811 3.0701 1339.4599 0.3993 1352.8947 0.4644 1362.7897 3.1135 1393.7818 1.7698 1408.7962 0.4371 1440.7769 0.9818 1504.0390 0.8193 1506.0152 3.2135 1511.7188 1.2461 1521.1163 2.7330 1523.6459 0.3028 1528.7282 5.8675 1537.5810 0.2567 1539.9340 3.1085 1757.7631 0.2924 3002.5045 32.0160 3014.2544 28.1289 3027.4765 16.1292 3032.1565 25.5012 3040.3271 40.9254 3042.7044 22.8555 3048.4044 36.0483 3058.7919 7.1914 3076.0948 14.1678 3082.7263 40.3336 3089.5703 21.1345 3099.5370 49.5352 3105.6649 49.9971 3106.2859 66.0668 3110.1785 44.2239 3124.3079 44.4683 > 4.25570 GHz 0.65768 GHz 0.61126 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$