NIST 08031215083D 1 1.00000 -3182.24553 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 18 20 0 0 0 0 0 0 0 0999 V2000 -0.1067 1.5490 -0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1779 2.9434 0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1207 0.9144 -0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9821 3.7145 0.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2154 3.0803 -0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 1.6717 -0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9213 3.9211 -0.0619 Se 0 0 0 0 0 0 0 0 0 0 0 0 3.6656 1.2247 -0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6502 2.1952 -0.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3678 -0.3589 -0.5192 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9726 1.6876 -0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9732 0.3269 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0193 0.9598 -0.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1435 3.4280 0.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1705 -0.1658 -0.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9235 4.7936 0.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8738 2.2898 -0.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8269 -0.3263 -0.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 1 3 2 0 3 6 1 0 6 5 2 0 5 4 1 0 2 4 2 0 6 8 1 0 8 9 2 0 9 7 1 0 5 7 1 0 8 10 1 0 10 12 1 0 12 11 2 0 9 11 1 0 1 13 1 0 2 14 1 0 3 15 1 0 4 16 1 0 11 17 1 0 12 18 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. > 2012-08-03 > 37958-13-7 > B3LYP/6-31G* > 0.1672 debye > -3182.24553458 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 108.5746 1.1910 140.2438 0.2203 187.2698 0.8699 202.4848 1.6535 285.5310 0.0018 313.9440 0.0119 347.0668 0.2307 412.5692 2.0885 444.7428 4.2953 455.3933 1.7639 474.1126 0.0154 554.4915 0.8587 630.6979 2.3020 645.3267 22.7345 681.2580 3.5353 709.4706 3.1016 720.3852 15.4520 764.0276 37.0742 785.2004 1.8904 794.8459 19.0450 890.0181 0.9441 891.4186 34.9365 897.4232 1.6095 955.0208 1.4276 987.7877 2.8091 998.0322 0.0390 1048.1184 14.6084 1067.0830 2.4636 1124.3592 5.6789 1157.8979 0.6818 1194.0321 3.4514 1199.7904 4.2999 1293.5423 12.4921 1336.2243 8.7989 1353.1655 4.3574 1393.1925 8.8821 1460.2221 0.9431 1491.6913 23.8533 1513.1650 11.9179 1542.0164 4.0540 1611.9913 0.0960 1647.3779 0.1880 3185.2954 1.7382 3192.4321 1.6437 3202.5038 20.6281 3213.4413 27.4888 3234.5463 6.1418 3270.2394 0.3907 > 0.93146 GHz 0.60797 GHz 0.36786 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$