NIST 07101400373D 1 1.00000 -2178.86908 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 24 25 0 0 0 0 0 0 0 0999 V2000 5.7316 0.0947 -1.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4049 -0.9916 -0.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9864 1.2747 -0.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1102 -0.0226 -2.1128 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4594 -1.8922 0.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4723 -0.0989 0.6756 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0753 -2.6063 1.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9419 -2.5881 -0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3652 -4.6732 0.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8941 -3.9816 -0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3055 -6.4277 0.5663 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1206 -3.9982 1.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3086 -0.8934 0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8948 1.3642 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5463 0.2818 0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1758 0.4120 1.8304 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9994 -1.8982 -0.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2609 2.1093 -1.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4552 -2.0698 2.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 -2.0377 -1.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 -4.5247 -1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5326 -4.5558 2.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0448 -1.7304 1.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3089 2.2772 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 5 6 1 0 6 16 1 0 9 11 1 0 15 16 1 0 1 2 1 0 2 13 2 0 13 15 1 0 15 14 2 0 14 3 1 0 1 3 2 0 5 7 1 0 7 12 2 0 12 9 1 0 9 10 2 0 10 8 1 0 5 8 2 0 2 17 1 0 3 18 1 0 7 19 1 0 8 20 1 0 10 21 1 0 12 22 1 0 13 23 1 0 14 24 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. > 2014-07-10 > 1142-19-4 > B3LYP/6-31G* > 0.2742 debye > -2178.86907677 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 14.4915 0.0034 17.9874 0.0192 23.3176 0.0100 57.1042 0.3827 65.2492 0.0999 118.5002 0.1207 164.6162 0.5823 215.2181 1.6295 235.1432 1.4257 285.6015 0.1358 309.8893 5.8040 340.4673 7.0886 347.2831 0.3940 358.2681 3.9212 360.4992 6.7840 420.2917 0.0394 420.5898 0.0494 445.7521 3.1218 509.8097 21.6227 512.1796 7.1000 540.4995 0.6096 543.4396 6.6540 641.6061 0.1071 641.8907 0.0668 711.6959 0.9503 712.5585 1.5781 754.3642 23.5365 755.3219 16.0181 834.6905 12.7272 834.9056 59.3845 837.0063 0.2904 838.5242 0.0417 965.6627 0.0585 965.8761 0.1396 970.3783 0.0932 970.4935 0.0265 1027.1172 52.5695 1028.1560 25.2148 1096.4701 22.1343 1100.1941 52.3876 1111.2606 43.5939 1111.7781 44.0576 1132.6465 3.2696 1133.5198 2.3733 1209.9721 4.6104 1210.9204 0.1416 1323.9241 0.2725 1324.4073 0.2087 1328.4732 0.8856 1328.7755 1.9442 1430.8699 12.2132 1431.8280 6.4131 1519.4153 36.5342 1520.3354 46.1951 1613.3249 0.7899 1613.9812 1.2041 1627.9923 38.1896 1629.0451 36.2204 3212.7178 1.1588 3212.9093 1.1135 3213.9337 2.1834 3214.1890 0.0396 3227.7096 6.4412 3227.8112 2.8440 3229.2024 2.0577 3229.3371 0.5649 > 0.51532 GHz 0.16445 GHz 0.13265 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$