NIST 08021418373D 1 1.00000 -576.39511 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 30 31 0 0 0 0 0 0 0 0999 V2000 -5.6692 0.2447 0.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5155 1.3471 0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0254 2.6542 0.8497 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6743 2.8092 1.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8227 1.6963 1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3020 0.4050 1.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9096 3.9564 1.3514 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5649 3.5823 1.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5381 2.1676 1.5195 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3609 1.4146 1.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5126 5.1630 1.8955 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5171 4.4102 1.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5231 5.8813 1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2411 3.9414 2.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0671 -0.7564 0.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5698 1.2011 0.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6833 3.5119 0.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -0.4573 1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6486 2.0874 0.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8633 0.9241 1.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6582 0.6451 0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8918 5.5421 2.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6284 5.9532 1.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5022 4.9190 2.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3456 6.1635 0.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5554 6.5401 2.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5923 6.1343 0.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 2.9431 2.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6291 3.9460 1.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0147 4.6246 3.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 9 10 1 0 7 11 1 0 8 12 2 0 12 13 1 0 12 14 1 0 9 8 1 0 8 7 1 0 7 4 1 0 4 3 1 0 3 2 2 0 2 1 1 0 1 6 2 0 6 5 1 0 9 5 1 0 4 5 2 0 1 15 1 0 2 16 1 0 3 17 1 0 6 18 1 0 10 19 1 0 10 20 1 0 10 21 1 0 11 22 1 0 11 23 1 0 11 24 1 0 13 25 1 0 13 26 1 0 13 27 1 0 14 28 1 0 14 29 1 0 14 30 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. > 2014-08-02 > 143268-49-9 > B3LYP/6-31G* > 0.3920 debye > -576.395105654 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 63.8183 1.4130 118.3132 5.9459 123.7808 1.5316 126.0144 0.0711 169.8745 1.1112 187.8902 0.2457 196.4788 0.0571 211.5053 0.3090 232.0558 1.0219 279.4932 0.1286 290.4156 0.1676 315.4114 2.4730 322.5612 0.0029 348.1317 0.1823 351.8899 4.9842 374.3478 3.9745 450.7941 1.9370 491.7224 0.7441 562.0525 7.6442 573.6883 9.4239 579.1434 0.0022 652.2649 1.0711 672.5884 4.2593 679.5743 0.8982 744.2256 1.0356 745.4745 61.0755 828.6839 15.1036 843.7504 1.6660 844.6712 2.0556 888.4735 3.5987 946.4222 0.2456 978.0546 0.0121 992.8871 0.3884 1026.5360 0.0200 1033.3515 9.9067 1051.8927 19.5625 1100.6403 1.6126 1109.6369 2.8467 1142.7030 73.5801 1148.2237 14.9123 1156.5662 32.2428 1163.9443 1.5838 1177.5728 12.8744 1194.2919 9.6327 1237.8772 17.1360 1267.3203 12.1889 1286.7552 99.6793 1349.7070 0.0709 1352.3700 146.8493 1394.9884 115.7784 1439.4241 6.0608 1439.5486 9.7600 1451.6362 29.0006 1481.4972 0.8405 1483.2743 11.9959 1506.5465 0.2821 1513.2838 10.8024 1516.6297 8.1764 1522.5578 28.2786 1523.1080 2.9264 1531.9399 9.6455 1536.4914 2.2937 1545.9842 143.8720 1549.1529 25.4753 1550.4284 34.0842 1658.5295 19.1546 1664.5925 23.7276 1731.8796 345.7313 2995.1528 37.9144 3000.0673 184.2059 3028.0375 62.1158 3031.1678 16.9945 3047.3188 118.4489 3048.0282 11.2091 3105.2945 29.3581 3105.8130 20.0194 3135.7087 40.2417 3136.4240 21.8514 3141.8607 3.0834 3142.3514 9.2159 3186.5367 0.0510 3198.0424 19.2301 3207.3063 29.5901 3214.6640 15.5842 > 1.32507 GHz 0.53031 GHz 0.39090 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$