NIST 07071507143D 1 1.00000 -1627.87317 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 31 33 0 0 0 0 0 0 0 0999 V2000 0.3137 -8.6230 2.8929 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -7.2758 4.5479 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 -8.2814 6.1293 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3071 -9.8532 5.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6558 -9.5781 3.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5501 -5.5375 4.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0945 -4.4670 5.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6146 -3.1819 4.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5965 -2.9405 3.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -3.9877 3.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5384 -5.2727 3.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9619 -7.1934 4.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5847 -8.0591 5.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9649 -8.0222 6.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7515 -7.1183 5.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1528 -6.2494 4.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7713 -6.2850 4.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4289 -10.5005 5.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1455 -10.3429 5.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5982 -9.0288 3.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7541 -10.5185 3.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6799 -4.6340 5.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2505 -2.3694 5.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9993 -1.9390 3.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8155 -3.8028 2.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 -6.0791 2.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 -8.7612 6.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4261 -8.6960 6.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8270 -7.0890 5.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7600 -5.5414 3.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3204 -5.5920 3.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 31 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. > 2015-07-07 > 57864-56-9 > B3LYP/6-31G* > 0.1789 debye > -1627.87317190 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 16.3339 0.1972 38.2101 0.1165 47.3601 0.8670 54.2479 0.0535 70.2453 0.7183 81.6795 0.0513 132.7820 3.9913 192.0551 0.0659 208.0531 3.9595 214.3471 0.1512 252.5710 1.5462 258.4676 1.0672 261.5680 0.7104 355.6404 2.9382 404.7760 0.0239 409.2082 0.0782 428.1937 2.9987 458.2617 20.5606 467.4436 5.8328 473.7022 61.4953 541.2672 132.3693 548.8795 73.5855 633.5110 0.2133 633.7501 0.3343 646.6346 11.6118 669.3018 4.5170 704.8679 21.3356 712.7046 41.7813 714.6981 23.3368 720.4060 26.5929 757.9356 21.8662 759.5631 4.9447 871.5743 0.4185 873.2780 0.0189 880.1882 8.2797 940.3836 0.4547 942.1608 0.0561 969.0988 8.2662 980.2712 0.3213 981.3356 0.0236 1004.8151 0.0569 1004.9780 0.0286 1010.0782 0.3897 1014.4911 3.1565 1014.9293 1.6836 1054.7437 0.2256 1055.9679 0.0256 1106.5438 2.6864 1109.2859 0.8817 1122.6007 34.2189 1130.2852 77.9686 1148.4901 5.1346 1195.4431 0.1740 1195.4715 0.2353 1201.1075 1.3495 1223.7925 10.7701 1225.1902 2.7388 1305.1446 10.3767 1320.3811 3.5963 1324.8608 4.8756 1339.6834 27.5699 1369.9300 3.4582 1371.0471 0.5162 1474.1191 17.3433 1476.7275 15.7766 1498.1004 5.6460 1507.3350 0.0568 1533.9334 0.6412 1535.0246 1.6829 1626.8582 0.1021 1628.0088 1.1482 1648.2825 1.3578 1648.9809 2.8326 3074.9030 8.2621 3080.9929 39.2919 3125.2049 0.6581 3140.3143 11.6676 3176.8891 2.8312 3177.8343 0.9174 3182.6298 0.8424 3183.6604 0.4178 3191.0447 14.6453 3191.3104 1.0046 3198.9886 35.4972 3199.4339 34.8982 3207.8965 40.2309 3208.4166 21.4379 > 0.39825 GHz 0.32245 GHz 0.21813 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$