NIST 07281410513D 1 1.00000 -1130.87280 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 29 30 0 0 0 0 0 0 0 1 V2000 6.2219 1.8935 -1.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 0.6540 -0.7252 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9044 2.2676 -0.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8271 -0.2355 -0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0470 1.4195 -0.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3246 3.8434 -1.4218 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5089 0.1729 0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3604 -1.4645 0.3686 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6361 -2.5235 0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1041 -3.8221 0.8173 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2665 -4.9487 0.7198 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3787 -3.9857 1.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6836 -6.1923 1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8112 -5.2269 1.8355 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9615 -6.3409 1.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2819 -7.5968 2.1414 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5620 -7.8173 2.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8810 2.5696 -1.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7035 0.3474 -0.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0328 1.7347 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8519 -0.4754 0.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6138 -2.5102 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -4.8419 0.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0263 -3.1180 1.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0436 -7.0658 1.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8009 -5.3218 2.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5966 -8.8792 2.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3671 -7.5835 2.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6993 -7.2249 3.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 3 6 1 0 4 8 1 0 8 9 2 0 9 10 1 0 15 16 1 0 16 17 1 0 1 2 1 0 2 4 2 0 4 7 1 0 7 5 2 0 5 3 1 0 1 3 2 0 10 11 1 0 11 13 2 0 13 15 1 0 15 14 2 0 14 12 1 0 10 12 2 0 1 18 1 0 2 19 1 0 5 20 1 0 7 21 1 0 9 22 1 0 11 23 1 0 12 24 1 0 13 25 1 0 14 26 1 0 17 27 1 0 17 28 1 0 17 29 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. > 2014-07-28 > U221924 > B3LYP/6-31G* > 4.3546 debye > -1130.87280371 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 30.7471 0.2092 37.5189 0.4037 47.4457 0.1475 79.6560 1.2997 108.0503 2.7767 135.3852 4.0012 174.7599 2.3333 208.5997 1.1673 235.5810 1.7712 252.6384 0.7534 266.5164 1.7363 311.8969 1.5305 347.6287 8.2864 399.3135 18.9145 404.6483 0.6132 426.4943 0.4283 430.5524 0.6881 475.0305 11.5088 506.5884 6.7481 531.9937 6.0912 550.1033 11.6533 564.7384 14.5869 645.5225 0.4874 651.6758 2.0106 683.4810 36.5644 717.2051 0.4375 734.3005 2.7143 786.1617 1.8147 828.8346 7.0476 832.0382 0.2082 842.3505 11.8862 851.3794 71.3949 853.3165 8.7789 903.7897 17.5537 951.2123 0.3315 957.7657 0.5621 964.0932 0.2077 975.9559 0.2322 1015.9860 5.2162 1027.0663 29.6618 1028.1335 3.8562 1073.6717 64.2459 1108.1944 74.4956 1135.8730 8.2656 1142.3730 8.6473 1183.4363 0.8048 1194.1693 213.1855 1200.8213 9.6911 1217.1187 11.4121 1229.6223 44.4473 1282.3477 10.1721 1309.1759 371.8058 1325.5576 14.8895 1329.7492 7.0194 1343.5130 6.2112 1363.4136 139.7865 1423.8238 4.6492 1449.3506 6.1109 1471.7978 8.5410 1499.7579 16.3596 1521.1267 6.1267 1532.5587 19.0703 1533.0526 156.7243 1566.3921 120.4072 1615.8027 0.4136 1621.3097 20.5892 1639.9931 108.4260 1665.8928 317.5665 1702.9883 125.2874 3023.0295 50.0736 3031.9871 63.8778 3094.0794 38.7802 3162.6137 27.7423 3182.2633 10.9565 3200.1809 6.8930 3209.5960 3.6095 3215.8374 4.5763 3219.5616 8.5011 3221.3089 6.6117 3225.8287 5.3707 3231.2502 12.7141 > 2.31944 GHz 0.11417 GHz 0.11012 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$