NIST 06101404043D 1 1.00000 -994.13759 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 19 18 0 0 0 0 0 0 0 0999 V2000 -0.0609 0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2337 -0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6867 0.7710 -0.0001 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0405 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4017 0.2341 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5526 -0.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1636 0.1286 -0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9265 -0.2140 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1275 1.0973 0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1275 1.0971 -0.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2828 -0.9974 -0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2829 -0.9973 0.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9408 -1.1077 0.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9408 -1.1079 -0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4802 0.8813 -0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4802 0.8814 0.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5006 -1.4141 0.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5006 -1.4142 -0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9584 -0.9636 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 4 5 1 0 2 3 1 0 5 6 1 0 1 2 1 0 6 7 1 0 1 8 1 0 1 9 1 0 1 10 1 0 2 11 1 0 2 12 1 0 4 13 1 0 4 14 1 0 5 15 1 0 5 16 1 0 6 17 1 0 6 18 1 0 7 19 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. > 2014-06-10 > R157241 > B3LYP/6-31G* > 3.2667 debye > -994.137588703 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 27.7384 0.0331 61.1921 1.6072 75.1817 0.0195 98.6661 0.0014 116.5240 3.7698 172.6491 0.8274 173.9587 17.4722 246.3243 0.1028 252.6476 0.8187 350.0534 4.2684 375.2169 1.2881 687.2280 1.9212 706.3934 3.8690 762.5195 3.4413 799.9953 0.6003 801.6280 4.8645 850.2588 0.1452 870.4197 0.8383 999.5578 4.1150 1031.6815 2.9214 1045.1328 1.9654 1062.2126 0.5420 1070.5032 2.1068 1100.3145 2.4937 1127.9980 0.2254 1251.3331 32.5423 1281.4534 0.0161 1292.2816 1.0879 1308.2245 10.1259 1332.5622 47.9943 1344.1223 0.0899 1401.2776 15.3299 1440.7097 1.4150 1512.8681 10.6573 1517.8086 0.0560 1521.9359 2.3963 1523.4436 7.1029 1534.6719 0.0328 1535.0440 2.9655 2673.8123 28.4766 3041.2863 20.7378 3050.2845 28.2601 3056.4533 27.1565 3057.8428 3.2712 3070.4394 42.2981 3081.2212 7.1283 3092.7217 11.6626 3100.2804 5.1214 3123.2113 26.0550 3125.4516 35.1131 3134.0401 28.1738 > 10.02224 GHz 0.45583 GHz 0.44203 GHz > Gaussian 09, Revision D.01 > Sonia Dermer $$$$