NIST 06231415083D 1 1.00000 -919.71118 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 8.0391 4.4347 -2.6848 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9573 3.3833 -2.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7037 3.7374 -2.5751 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1248 3.1249 -3.3256 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0515 2.8335 -1.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2010 1.7977 -0.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8161 0.7712 -0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8227 1.8195 -1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0344 -0.2635 0.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6527 -0.2656 0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0550 0.7744 -0.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9232 4.8714 -3.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9619 5.2043 -1.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8913 0.7983 0.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3622 2.6239 -1.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5081 -1.0672 0.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0447 -1.0730 0.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9802 0.7786 -0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 2 4 2 0 2 5 1 0 5 6 1 0 6 7 1 0 7 9 2 0 9 10 1 0 10 11 2 0 11 8 1 0 6 8 2 0 1 12 1 0 1 13 1 0 7 14 1 0 8 15 1 0 9 16 1 0 10 17 1 0 11 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 > 620-73-5 > B3LYP/6-31G* > 1.8434 debye > -919.711176753 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 20.2153 0.5718 36.0728 1.8037 56.3019 0.9989 124.8791 3.9536 179.3192 3.2468 268.2738 2.5345 341.4854 0.6588 395.1294 3.0118 422.0326 0.0811 505.5038 13.6883 512.1728 6.6315 606.6722 8.6128 628.1681 0.4239 697.8158 9.8762 713.5767 32.7302 762.1433 38.3997 785.5398 31.0969 831.5136 10.2870 841.1508 0.6938 915.8292 4.6680 944.9705 23.7524 958.4538 4.7873 964.4674 0.3550 991.6608 0.1900 1021.2907 3.4204 1054.7002 5.5514 1110.2867 6.6230 1173.1597 70.7081 1191.7846 4.1326 1199.5317 41.4815 1232.3549 156.6131 1287.1742 412.8709 1322.7114 81.8103 1347.3588 4.5998 1365.0057 12.7758 1490.2642 11.1362 1504.5408 3.5580 1540.9280 62.6439 1651.7742 16.2946 1659.8453 10.8149 1839.5006 217.9584 3118.6575 6.1767 3190.7997 0.0199 3200.7228 14.6038 3201.7096 1.0479 3212.6954 24.6156 3223.6403 4.3324 3254.5082 0.9853 > 2.36693 GHz 0.48477 GHz 0.41592 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$