NIST 08101209293D 1 1.00000 -1086.39136 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 20 19 0 0 0 0 0 0 0 0999 V2000 -0.0608 0.4024 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3947 1.4976 0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7326 0.2424 -0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1020 0.9235 0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2540 -0.0882 -0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6236 0.6034 0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7160 -0.3202 -0.0403 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1661 -1.4233 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8760 -2.8522 -0.0603 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9464 1.0414 -0.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0668 -0.1370 -1.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0982 -0.3120 0.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6142 -0.4698 0.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6354 -0.3125 -0.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1692 1.4972 0.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1927 1.6471 -0.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1980 -0.6628 -0.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1773 -0.8087 0.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7150 1.1757 0.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7353 1.3204 -0.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 2 3 1 0 5 6 1 0 1 2 1 0 6 7 1 0 3 4 1 0 7 8 2 0 8 9 2 0 1 10 1 0 1 11 1 0 1 12 1 0 3 13 1 0 3 14 1 0 4 15 1 0 4 16 1 0 5 17 1 0 5 18 1 0 6 19 1 0 6 20 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. > 2012-08-10 > 4430-36-8 > B3LYP/6-31G* > 3.1455 debye > -1086.39135839 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 13.4207 0.9428 31.5384 2.1996 50.3934 1.0529 67.8108 6.8849 95.5060 2.0176 119.5483 0.0825 150.6921 1.7565 177.8896 0.1672 204.4021 3.1193 246.9209 5.1733 377.2468 5.1297 420.4508 5.0933 439.7905 3.4406 512.3578 26.2820 700.0028 42.0679 714.6921 2.7186 752.1213 3.6508 761.8400 0.6708 795.5216 0.6248 918.4405 0.0545 985.0731 2.4295 990.4566 3.2686 1021.5141 1.6112 1054.0679 2.1539 1081.1680 19.8465 1085.0638 2.0314 1146.1938 4.6936 1202.0011 0.6123 1259.5327 16.0086 1293.7796 0.4218 1331.0726 1.1578 1341.9993 0.3717 1347.9902 0.1282 1388.4049 22.1652 1403.2050 49.9445 1422.8582 11.8978 1499.4357 8.6700 1511.5868 15.3959 1516.6627 1.6930 1520.0901 2.7427 1525.1502 6.4226 1539.9568 3.2007 2207.1042 1196.7958 3038.5761 1.4099 3044.6119 22.5170 3047.5321 0.9034 3056.6194 37.2525 3057.5417 66.4758 3068.9288 1.3232 3076.1384 2.5559 3093.3161 1.1876 3108.0005 71.7923 3134.0109 12.7096 3154.8709 7.4478 > 3.93351 GHz 0.26572 GHz 0.25089 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$