NIST 07071514053D 1 1.00000 -541.63949 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 37 36 0 0 0 0 0 0 0 0999 V2000 0.7998 0.0335 0.5241 Sn 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 0.7902 2.3627 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0872 1.2178 2.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 0.2134 3.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0617 1.3305 -0.8152 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0442 0.9957 -2.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0645 2.7648 -0.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1359 -1.8192 -0.0672 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6943 -3.0062 0.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -1.9922 -0.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8424 -0.1644 0.6073 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6361 0.9275 1.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5294 -0.8395 -0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5291 1.6129 1.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1151 2.0179 3.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7394 0.4033 2.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9021 -0.1393 3.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3097 -0.6369 3.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9508 0.9713 4.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0991 -0.0881 -2.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8606 1.3605 -2.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9118 1.4461 -2.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0908 2.9894 0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7986 3.2953 -1.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 3.1974 -1.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 -2.8462 0.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -3.8625 -0.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1513 -3.3048 1.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6851 -1.0793 -0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8949 -2.2529 0.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3968 -2.8053 -1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0865 1.4466 1.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9258 1.6780 0.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5683 0.5371 1.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8981 -1.6243 -0.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4541 -1.3140 -0.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8198 -0.1545 -1.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 8 1 0 0 0 0 1 5 1 0 0 0 0 1 2 1 0 0 0 0 2 4 1 0 0 0 0 2 3 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 9 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 12 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 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 > 1066-77-9 > B3LYP/GENECP > 0.0163 debye > -541.639486519 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 37.7035 0.0185 62.6011 1.0935 68.4841 1.3614 69.2312 0.4397 77.4538 0.1248 82.6579 0.6005 103.6217 0.0177 104.0187 0.0043 107.5942 0.1127 148.1151 3.8450 151.7001 3.6852 192.2518 25.1323 208.4685 0.0621 219.2736 0.0362 244.9591 0.4399 250.5813 0.8014 253.9339 0.5224 256.3046 0.7566 258.6281 0.4888 266.7072 1.5477 269.2359 1.0040 278.5711 0.0752 279.7499 0.2870 281.0455 0.0217 291.2063 50.5103 315.7011 5.9909 321.1945 0.0862 337.1337 39.5873 338.6439 39.9298 494.7671 0.0101 515.7696 21.5669 516.8936 44.1710 517.2600 42.1123 965.1945 165.7830 966.0154 123.0360 966.8512 225.4456 982.4187 0.2058 1097.5951 7.8956 1098.1061 10.3516 1098.3106 3.3086 1098.7841 7.7858 1134.9422 0.0792 1135.7654 2.0158 1135.9154 3.2650 1139.7795 2.0589 1174.0190 0.2217 1174.8504 0.5357 1175.4547 1.8774 1177.6190 1.4990 1199.6658 0.9291 1209.3526 104.5840 1210.2693 126.9895 1212.0564 21.5015 1287.7757 0.2577 1289.3637 9.9310 1289.6436 9.4470 1289.7943 11.4941 1467.3066 0.0485 1472.7243 3.2783 1472.9409 2.4436 1474.8985 0.2882 1494.9002 6.1090 1495.3501 6.9465 1499.1552 0.8568 1500.4904 7.9800 1503.4637 0.0660 1507.3738 1.0769 1507.6248 1.0565 1514.0975 1.8866 1514.1316 0.2787 1520.6301 30.6803 1521.3692 30.8484 1527.2159 0.0281 1537.0137 0.4342 1539.4447 1.8289 1541.1839 21.0196 1543.3179 20.5291 1551.6420 2.1696 1552.2812 5.6147 1555.0892 1.6759 1558.9751 0.2291 2950.4799 10.4256 2951.4396 5.4468 2952.4999 31.3452 2952.8756 64.1221 2952.9716 61.9069 2953.8255 45.9757 2957.1694 657.2710 2961.0410 3.1065 3010.0395 247.7186 3010.0990 239.4907 3011.4748 22.5483 3012.6372 8.2291 3013.0081 7.1134 3014.0028 4.6607 3014.4654 14.5613 3014.6327 23.6927 3114.6843 11.2638 3115.4757 46.9358 3116.0363 36.1878 3116.3952 43.5212 3118.2995 6.7696 3119.2061 2.4553 3119.4087 8.5666 3119.6831 5.5856 > 0.54186 GHz 0.54063 GHz 0.51442 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$