NIST 06091422303D 1 1.00000 -1725.77151 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 17 16 0 0 0 0 0 0 0 0999 V2000 0.8137 1.3748 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9462 0.3708 -0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3934 -1.0277 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5414 -1.8837 0.4431 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5617 -3.2171 0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5525 -3.8412 0.6211 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3485 -4.0122 -0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1133 -3.8319 0.8449 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0073 -3.6499 -1.9291 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4594 3.0415 -0.5214 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1859 1.1261 -1.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1816 1.4470 0.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5783 0.6728 0.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5783 0.3494 -0.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7974 -1.3808 -0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7758 -1.0531 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6316 -5.0594 -0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 7 9 1 0 1 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 2 14 1 0 3 15 1 0 3 16 1 0 7 17 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. > 2014-06-09 > R112580 > B3LYP/6-31G* > 2.6037 debye > -1725.77151230 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 25.4649 1.2340 60.9880 1.1037 75.4900 0.6690 77.9196 3.7395 110.2636 0.8883 154.9516 2.5181 164.7657 4.8098 184.6417 0.8869 228.0015 0.6759 287.2226 4.7530 306.0366 3.1975 398.2126 8.9650 463.6497 0.9714 632.2874 68.5716 643.0504 109.5709 737.3473 4.4410 759.2248 28.2057 775.8919 2.3993 801.2110 50.7084 851.1067 36.5664 875.8141 2.6668 1057.2999 8.5289 1065.3211 41.3314 1084.1890 14.2454 1103.9043 1.8315 1215.0590 30.3682 1264.2847 108.5882 1280.4218 20.7776 1288.2938 28.7407 1307.7033 224.7816 1322.0047 98.2722 1342.6821 20.8601 1381.0416 24.6744 1448.9593 8.5396 1520.6622 1.2031 1526.9290 2.3612 1542.2319 1.9332 1838.2363 328.9289 3078.6971 0.5278 3085.8574 11.3371 3100.0073 28.3524 3121.6815 1.3736 3148.8624 1.2630 3160.7510 23.7610 3209.4311 1.6728 > 1.31969 GHz 0.31171 GHz 0.30226 GHz > Gaussian 09, Revision D.01 > Sonia Dermer $$$$