NIST 06251411173D 1 1.00000 -809.78875 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 21 21 0 0 0 0 0 0 0 0999 V2000 6.4240 1.8430 -0.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0455 2.0485 -0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1447 0.9906 -0.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6662 -0.2831 -0.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0385 -0.4902 -0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9263 0.5751 -0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6342 1.2053 -0.4958 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 2.5955 -0.9646 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9791 0.8651 0.8485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9211 0.0066 -1.7521 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1016 2.6808 -0.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 3.0467 -0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9896 -1.1249 -0.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4166 -1.4868 0.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9980 0.4143 -0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 2.8395 -1.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1145 2.6407 -1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5274 3.3532 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3603 1.5509 1.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8922 0.9753 0.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2087 -0.1559 1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 3 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 1 6 2 0 6 5 1 0 5 4 2 0 4 3 1 0 3 2 2 0 1 2 1 0 1 11 1 0 2 12 1 0 4 13 1 0 5 14 1 0 6 15 1 0 8 16 1 0 8 17 1 0 8 18 1 0 9 19 1 0 9 20 1 0 9 21 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. > 2014-06-25 > 934-53-2 > B3LYP/6-31G* > 2.4031 debye > -809.788745192 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 43.6291 0.3530 119.1263 1.2116 203.5371 0.9768 273.7845 0.2887 284.9406 1.4082 286.5535 0.3046 332.4048 0.1740 337.8432 0.6520 353.4961 5.4362 414.5629 0.7863 422.7239 6.2435 504.7871 4.6727 551.8184 7.8012 610.9208 47.0318 636.0075 1.4756 711.8780 30.9324 752.1905 15.1261 781.3446 14.6848 857.1215 0.1400 920.4961 5.2421 938.0048 1.5553 956.3331 0.4240 971.1033 0.0701 997.5088 0.0643 1018.1271 0.9110 1039.1374 0.4704 1060.6313 5.5273 1112.0290 12.6207 1134.1480 14.6223 1159.2191 32.4912 1195.6847 0.0091 1204.7090 2.1696 1226.5672 1.4155 1290.5738 36.8645 1346.2538 2.0708 1373.1538 0.4645 1430.1351 8.3745 1448.6034 5.0147 1493.6696 10.5170 1509.6826 0.7962 1514.9671 4.2782 1528.4063 4.1043 1535.9654 5.2190 1548.1857 7.4333 1641.6969 0.5017 1663.6370 0.6825 3055.1880 9.4398 3061.7876 18.6017 3126.4615 8.2105 3133.5766 24.6838 3153.9052 8.5140 3156.2313 25.9892 3183.7474 0.3475 3192.8622 10.4662 3204.7415 28.0818 3213.0566 16.8808 3224.7508 10.6893 > 2.07522 GHz 0.77402 GHz 0.68644 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$