Benzene, 1,1'-(methylsilylene)bis- NIST 11121313213D 1 1.00000 -793.33091 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 28 29 0 0 0 0 0 0 0 0999 V2000 7.6236 3.0732 -1.0482 Si 0 0 0 0 0 0 0 0 0 0 0 0 6.3210 1.7712 -0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5775 3.5961 0.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8326 4.5728 -1.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8938 4.0814 0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0067 3.5463 1.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6126 0.4024 -0.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0388 2.1187 -0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7150 3.9735 2.9054 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0173 4.4573 2.7691 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6075 4.5093 1.5048 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6694 -0.5781 -0.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4060 -0.2088 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0913 1.1430 0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6048 2.4537 -1.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5938 5.3173 -2.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3164 4.2793 -2.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1032 5.0651 -1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3750 4.1209 -0.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9984 3.1585 1.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5905 0.0966 -1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7679 3.1665 -0.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2528 3.9234 3.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5717 4.7869 3.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6241 4.8780 1.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9186 -1.6291 -0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 -0.9704 0.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1074 1.4372 0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 2 7 1 0 7 12 2 0 12 13 1 0 13 14 2 0 14 8 1 0 2 8 2 0 3 5 1 0 5 11 2 0 11 10 1 0 10 9 2 0 9 6 1 0 3 6 2 0 1 15 1 0 4 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 6 20 1 0 7 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 14 28 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. > 2013-11-12 > 776-76-1 > Benzene, 1,1'-(methylsilylene)bis- Silane, methyldiphenyl- Diphenylmethylsilane Ls 4880 > B3LYP/6-31G* > 0.6466 debye > -793.330905986 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 16.1113 0.0276 30.1466 0.0177 48.2707 0.0132 100.7207 0.0893 124.1819 0.0605 155.6703 0.1814 177.9174 0.2879 208.6872 1.8798 230.1946 0.8959 293.5373 2.5362 389.9659 8.8025 404.2453 0.3137 406.3349 0.0135 426.2445 26.1675 472.4974 8.1056 490.9166 13.7955 634.0772 0.1723 634.7372 0.1699 658.0821 0.9658 700.5588 9.6991 707.7143 1.4757 713.4400 10.3125 716.9701 19.3271 732.9967 114.7926 754.5774 12.4793 757.7997 22.6723 789.2266 5.3167 868.6227 275.4571 872.1153 1.1493 873.6515 20.8015 912.8396 118.6504 933.7536 0.2281 936.1385 0.2256 975.8079 0.1075 977.1879 0.1442 1001.7959 0.0144 1002.8828 0.0520 1015.3537 0.6300 1015.5181 0.0491 1055.1977 0.3160 1056.4417 0.1651 1106.4611 2.2370 1107.3974 1.6873 1130.1210 23.2595 1135.8932 65.2078 1194.3316 0.1021 1194.8312 0.0600 1223.4996 5.3777 1224.9715 0.4321 1320.7030 1.8600 1321.6293 5.0624 1330.1072 21.3628 1368.9780 0.7303 1370.3418 2.8896 1475.1547 8.7842 1475.8069 19.3999 1492.4595 2.6542 1495.5644 2.2573 1535.8636 1.3731 1536.7941 0.5623 1627.7076 0.9635 1628.3970 0.2771 1650.1219 1.1468 1650.6925 1.9905 2210.1896 148.9238 3046.5813 5.3550 3120.2907 11.2290 3124.2649 14.0802 3165.5401 7.6475 3168.6509 8.6383 3173.1891 3.7174 3174.6518 2.5973 3184.2106 4.0027 3184.6860 4.4603 3193.5789 37.8172 3194.4020 48.3674 3205.1716 36.9091 3206.2320 24.3631 > 1.14491 GHz 0.34637 GHz 0.31179 GHz > Gaussian 09, Revision D.01 > Katherine Hafner $$$$