NIST 08041419093D 1 1.00000 -973.32989 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 34 33 0 0 0 0 0 0 0 0999 V2000 70.8245 24.5053 -0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 69.7224 24.2002 0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 72.1656 24.8919 -0.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 72.8630 26.3710 0.3680 Si 0 0 0 0 0 0 0 0 0 0 0 0 74.6102 26.7363 -0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 71.7453 27.8742 0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 72.9210 25.9007 2.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 68.3744 23.8422 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 67.0115 24.7558 -0.3700 Si 0 0 0 0 0 0 0 0 0 0 0 0 67.1913 24.3276 -2.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 65.3288 24.1727 0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 67.1984 26.6194 -0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 72.8614 24.0455 -0.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 72.1719 25.1632 -1.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 75.0601 27.5804 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 75.2735 25.8725 -0.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 74.6043 26.9906 -1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 72.0926 28.7378 0.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 70.7182 27.6521 0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 71.7159 28.1745 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 71.9274 25.6065 2.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 73.5994 25.0570 2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 73.2671 26.7381 2.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 68.2116 22.7589 0.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 68.2331 24.0691 1.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 66.4601 24.8704 -2.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 68.1927 24.5871 -2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 67.0417 23.2558 -2.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 64.5057 24.6631 -0.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 65.2095 24.3986 1.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 65.2037 23.0903 0.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 68.1884 26.9624 -0.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 66.4475 27.1824 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 67.0808 26.8851 0.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 1 3 1 0 2 8 1 0 3 4 1 0 4 5 1 0 4 6 1 0 4 7 1 0 8 9 1 0 9 10 1 0 9 11 1 0 9 12 1 0 3 13 1 0 3 14 1 0 5 15 1 0 5 16 1 0 5 17 1 0 6 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 10 26 1 0 10 27 1 0 10 28 1 0 11 29 1 0 11 30 1 0 11 31 1 0 12 32 1 0 12 33 1 0 12 34 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. > 2014-08-04 > 21752-78-3 > B3LYP/6-31G* > 0.3876 debye > -973.329892409 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 13.7267 0.0175 26.2764 0.0501 28.8328 0.0497 61.7145 0.0209 67.2868 0.1514 132.4338 0.0392 135.9916 0.0089 143.5368 0.3813 148.3380 0.2978 150.8922 0.0542 152.9952 0.4303 158.4323 0.0498 168.5157 1.5585 175.9842 0.4214 185.6627 0.1703 207.4295 1.2258 210.0372 2.7648 219.9098 3.5754 224.4195 4.4358 228.6761 0.6108 232.6464 2.3465 273.0382 5.2534 300.7001 9.9313 427.2092 1.5099 452.5549 10.2593 584.4569 2.2565 584.5834 2.0186 659.8265 2.5078 670.4398 24.2718 678.5213 0.8537 684.6433 2.0589 691.9418 7.0237 692.4382 13.0586 696.3454 8.6553 697.6211 8.3669 699.9673 0.0363 703.2639 0.0262 772.0897 2.5275 787.9160 35.5830 810.6694 1.0526 828.7550 5.6509 833.5292 2.6072 883.8694 225.7174 886.8475 17.9578 891.3520 51.3176 896.4068 88.7385 898.7564 256.2362 909.3586 128.0344 1162.7251 5.0161 1179.7171 4.7665 1183.8796 5.6815 1201.7795 8.9046 1234.0453 32.2296 1322.9079 18.8899 1325.8292 39.9416 1326.3344 33.4569 1326.6642 25.2504 1334.9908 19.2145 1336.9537 7.7983 1473.9947 15.1807 1476.2723 2.7836 1486.7760 0.0191 1487.4241 0.0112 1490.9086 0.2780 1491.2267 0.1892 1491.4816 0.1722 1491.9534 0.0688 1499.9760 6.7185 1501.0642 2.6060 1501.5654 1.8594 1501.9398 0.7133 1507.9731 6.2765 1510.0318 5.7828 2337.5309 0.8121 3011.0460 58.1128 3011.6223 5.8316 3039.1143 9.7942 3039.4091 8.9442 3042.2659 6.0977 3043.0009 4.8722 3044.2451 3.0723 3044.3553 5.8715 3045.0422 13.5970 3045.4524 14.4187 3110.6445 0.2373 3111.0965 0.8876 3111.4007 0.7120 3111.4780 1.9792 3113.1378 11.5184 3113.2394 34.4394 3113.9302 42.4290 3114.0755 35.1266 3121.9949 4.9518 3122.6449 9.8203 3124.2291 27.5285 3125.0143 18.5880 > 1.38265 GHz 0.25515 GHz 0.25162 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$