NIST 08011214443D 1 1.00000 -903.25761 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 24 24 0 0 0 0 0 0 0 0999 V2000 2.4861 3.1445 -0.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1082 2.0814 -1.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7225 0.7583 -1.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4553 2.8604 0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0961 -0.6962 0.2130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0995 -0.4521 1.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0377 0.9012 1.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 1.5300 0.5601 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6867 0.4938 -0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9431 4.5669 -0.7742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7012 -1.5711 1.7295 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1148 2.6833 2.8041 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9132 2.3108 -1.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -0.0417 -1.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9615 3.6720 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3581 -1.6096 -0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 1.3886 2.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0019 4.6981 -0.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8298 4.8526 -1.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3655 5.2768 -0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2382 -2.1355 0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0686 -2.2830 2.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4421 -1.1776 2.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2454 2.6893 1.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 6 11 1 0 1 2 2 0 2 3 1 0 3 9 2 0 9 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 9 8 1 0 8 4 2 0 1 4 1 0 2 13 1 0 3 14 1 0 4 15 1 0 5 16 1 0 7 17 1 0 10 18 1 0 10 19 1 0 10 20 1 0 11 21 1 0 11 22 1 0 11 23 1 0 12 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. > 2012-08-01 > B6009407 > B3LYP/6-31G* > 3.8932 debye > -903.257609847 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 19.3502 0.6036 25.4914 0.6153 49.4713 0.3881 81.4132 1.2401 104.5020 4.1894 124.5327 4.6077 187.1260 0.0993 221.3472 0.9135 281.2727 4.8574 299.6938 19.3367 331.0957 3.0533 355.1796 27.6256 371.6324 13.9292 379.5349 51.3866 442.8382 0.4997 443.2181 1.0571 468.5625 2.0113 590.1231 0.3202 604.4294 6.9146 641.0063 7.5029 674.6638 1.4703 756.4767 3.7494 767.4591 0.5095 803.9088 36.5644 812.4901 11.3228 851.2668 0.3792 895.0217 22.7025 935.4823 0.0276 956.2440 0.6903 1000.1360 4.5307 1021.5194 0.4952 1033.3095 6.9771 1074.8742 2.2413 1076.0832 4.0903 1164.0275 0.2709 1169.0269 2.6253 1196.6805 13.7051 1254.5878 1.5768 1267.8676 7.2398 1328.1940 29.9933 1356.8171 26.2608 1386.0464 18.5792 1444.2615 8.7634 1445.1928 1.1135 1458.0149 22.3246 1493.7857 8.2761 1509.3004 7.5291 1510.5167 37.0882 1514.8277 5.7013 1528.1560 5.2071 1540.2098 9.6681 1608.2895 6.0913 1644.3385 26.2505 1676.7801 0.7320 2718.2531 562.9280 3035.6431 53.8179 3041.7484 35.9578 3081.5375 20.9475 3092.6799 20.5132 3124.5279 16.3158 3143.1868 10.3163 3178.7859 14.1254 3180.2175 7.3501 3197.3257 21.4617 3259.0512 5.8948 3657.8049 52.1348 > 1.03728 GHz 0.50836 GHz 0.41563 GHz > Gaussian 09, Revision C.01 > Daniel Du $$$$