NIST 07181416423D 1 1.00000 -1155.07789 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 3.0332 0.8567 0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3877 0.6349 -1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3442 -0.5572 -1.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1316 1.9697 -1.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 -0.4772 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0759 2.0484 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8872 0.5265 0.0270 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1425 0.9499 1.4673 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7094 0.9124 -0.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1945 0.5862 -2.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7798 -1.4949 -1.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9361 -0.5613 -2.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7136 2.0732 -2.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4186 2.8000 -1.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9996 -1.3079 -0.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7095 -0.5702 0.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6409 2.9859 -0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 2.0452 0.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 3 2 1 0 2 4 1 0 5 3 1 0 4 6 1 0 1 5 1 0 6 1 1 0 1 8 1 0 1 9 1 0 2 10 1 0 3 11 1 0 3 12 1 0 4 13 1 0 4 14 1 0 5 15 1 0 5 16 1 0 6 17 1 0 6 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. > 2014-07-18 > 16749-11-4 > B3LYP/6-31G* > 3.1826 debye > -1155.07789129 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 79.2251 1.1699 187.4666 1.3094 206.1320 2.5127 253.8124 1.2963 324.5212 4.8021 343.5538 0.6092 388.4435 9.8117 432.1983 0.1226 467.1601 0.0223 563.8654 19.3008 689.2784 32.4052 782.5582 22.1348 795.3582 0.0753 832.7555 10.5770 883.4573 26.7953 906.4394 4.0175 954.9311 2.9243 1014.0662 22.5772 1038.4442 6.7215 1094.5568 1.2488 1100.8517 0.2136 1105.8601 3.0521 1169.6491 2.5952 1220.3630 0.6284 1229.8550 10.0482 1283.5511 18.6391 1307.6911 6.7268 1321.5380 30.6852 1342.5509 0.6913 1361.6362 0.0483 1389.5563 0.1073 1397.8376 19.5038 1403.1603 0.2660 1410.1118 0.7351 1500.8139 3.4362 1513.6597 10.5616 1515.8813 6.1283 1531.9420 3.9996 3025.0912 4.5780 3031.7049 35.8748 3074.5115 12.6396 3075.4801 3.2335 3083.5774 14.5965 3107.7536 20.4622 3108.5648 17.2474 3118.8084 8.9866 3121.2543 21.1742 3124.7401 32.7322 > 2.64759 GHz 0.76396 GHz 0.74725 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$