NIST 08051400423D 1 1.00000 -962.50398 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 36 37 0 0 0 0 0 0 0 0999 V2000 6.2081 2.0324 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6252 0.7247 -0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8829 2.4014 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9841 1.4504 -0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7275 -0.2508 -0.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4011 0.1353 0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4146 -1.9372 0.1953 P 0 0 0 0 0 0 0 0 0 0 0 0 4.8772 -2.9108 0.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1823 -4.3945 0.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 -5.1967 1.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2394 -6.6770 1.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7107 -2.5703 -1.5265 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8261 -3.3939 -1.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 -2.2827 -2.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0909 -3.9273 -3.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1365 -2.8090 -3.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2468 -3.6345 -4.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9186 2.7666 -1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6624 0.4536 -0.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 3.4230 -0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9514 1.7272 0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6784 -0.5857 0.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4764 -2.4583 1.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1071 -2.8118 -0.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6175 -4.8413 0.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9466 -4.4813 1.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 -4.7493 2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1766 -5.1087 0.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3344 -7.2241 1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -7.1593 0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9728 -6.7988 2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4944 -3.6140 -0.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0102 -1.6340 -2.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9595 -4.5641 -3.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4782 -2.5740 -4.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4540 -4.0426 -5.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 5 7 1 0 7 8 1 0 7 12 1 0 8 9 1 0 9 10 1 0 10 11 1 0 1 2 1 0 2 5 2 0 5 6 1 0 6 4 2 0 4 3 1 0 1 3 2 0 12 13 1 0 13 15 2 0 15 17 1 0 17 16 2 0 16 14 1 0 12 14 2 0 1 18 1 0 2 19 1 0 3 20 1 0 4 21 1 0 6 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 11 29 1 0 11 30 1 0 11 31 1 0 13 32 1 0 14 33 1 0 15 34 1 0 16 35 1 0 17 36 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. > 2014-08-05 > 6372-41-4 > B3LYP/6-31G* > 1.3885 debye > -962.503976802 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 19.4723 0.2209 35.7985 0.0589 40.1189 0.0061 56.1128 0.0761 64.2751 0.0612 69.2868 0.0430 114.6092 0.1770 162.5891 0.3607 177.5970 0.5073 189.9112 0.3750 231.1293 0.6450 241.4806 0.3095 249.9353 0.2730 265.9650 0.2562 343.6007 0.8930 399.5923 5.5083 405.7245 3.1995 411.5879 1.9073 413.0294 0.6298 453.0046 8.0794 490.3238 12.2305 521.8096 15.6784 632.8354 0.0505 633.7536 0.0502 692.4785 0.8226 702.8651 1.1247 711.0223 22.8476 713.2424 20.0156 728.1234 12.4974 742.3222 13.8074 757.0771 27.9012 763.3025 16.3817 794.2793 2.1295 860.7804 0.2013 868.8227 0.0247 907.1746 3.4355 918.9251 10.8685 923.5908 0.3679 936.2771 0.8015 969.6173 0.1426 978.4745 0.1009 996.9695 0.0551 1001.6231 0.1078 1014.3047 2.8366 1015.8646 3.0336 1024.2081 0.4223 1051.9815 1.4083 1054.2011 1.9558 1067.4634 1.8875 1068.3632 5.4303 1106.4502 1.7605 1109.2029 0.2370 1112.1506 13.9473 1116.3153 5.8587 1121.7715 4.0372 1193.4786 0.0128 1194.4184 0.0934 1217.1320 3.2901 1222.9972 1.7034 1239.8105 5.4817 1245.6893 1.1755 1322.7837 1.0720 1325.4422 2.2297 1331.4941 3.1503 1349.6400 2.0057 1353.8764 1.4093 1363.1319 1.3921 1370.6131 1.1848 1416.3218 2.4055 1440.5228 1.4328 1479.6742 12.0737 1482.4762 5.2536 1495.1996 4.8474 1516.7523 1.5142 1527.0160 0.3831 1529.1782 6.0606 1530.5534 4.8006 1534.7816 8.1386 1540.6350 2.7341 1629.9517 1.3272 1631.9714 0.2036 1646.3679 1.4882 1649.4510 4.1263 3024.0829 7.6451 3027.2137 2.2555 3036.9332 38.2587 3043.1869 47.0060 3049.9562 5.6560 3067.9080 3.0597 3087.5146 35.1427 3108.5939 63.8150 3112.0726 42.5215 3175.0119 3.7153 3177.2867 1.4102 3181.9568 0.5846 3183.2330 0.5581 3192.1737 10.0144 3192.5728 21.7541 3199.2619 31.8200 3204.7514 37.2651 3207.9233 30.6100 3211.9196 17.1224 > 0.47335 GHz 0.29768 GHz 0.20767 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$