NIST 06231410163D 1 1.00000 -2758.06145 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 18 18 0 0 0 0 0 0 0 0999 V2000 6.1653 1.8297 -0.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5063 0.5096 -0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8651 2.1241 -0.9097 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3472 3.0903 -0.3189 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5563 -0.5154 -0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1015 0.1002 0.4132 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2621 -0.2194 -0.6983 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9220 -1.8135 -0.0243 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9119 1.0977 -1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1189 -1.5183 -0.8372 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 1.4534 -1.5835 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4370 3.7552 -1.3160 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8093 -2.4323 1.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1623 -3.5720 1.3091 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2514 -1.5945 2.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8764 -0.7140 2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2392 -1.2495 2.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2261 -2.2114 3.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 2 6 1 0 3 12 1 0 5 8 1 0 7 10 1 0 8 13 1 0 9 11 1 0 13 14 2 0 13 15 1 0 1 2 1 0 2 5 2 0 5 7 1 0 7 9 2 0 9 3 1 0 1 3 2 0 15 16 1 0 15 17 1 0 15 18 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. > 2014-06-23 > 1441-02-7 > B3LYP/6-31G* > 2.7864 debye > -2758.06145468 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 45.9565 0.2025 52.3044 0.6270 62.8112 3.1406 75.9203 1.5167 85.4104 0.2658 124.5936 1.8188 136.9375 0.0080 199.6977 0.2520 215.9509 0.4605 218.0318 0.1302 223.0094 0.9434 233.4039 0.0001 307.8937 0.1195 320.6038 0.2925 333.6874 0.0696 341.6915 0.0000 364.3163 0.9883 377.1001 0.9706 388.6290 0.2240 484.2898 3.4910 558.2503 4.9011 597.1583 21.6630 601.8650 0.0029 647.9810 0.7837 654.5262 7.0202 707.2797 6.6158 711.7603 82.2425 768.7167 22.0475 835.4014 109.4666 882.7016 0.1282 1005.7163 157.2019 1013.4814 15.4374 1072.0220 6.1262 1138.8249 44.5356 1193.2454 391.5591 1274.4753 4.1310 1276.3560 0.6315 1376.2117 151.9646 1406.9659 336.0880 1421.9265 42.0365 1494.5570 14.6291 1510.2941 13.1067 1560.5303 0.7607 1568.4907 10.1405 1900.5993 396.5146 3075.7632 1.5346 3141.0547 1.6754 3187.1685 4.7758 > 0.43001 GHz 0.31370 GHz 0.19196 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$