NIST 06111423093D 1 1.00000 -1456.51877 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 21 23 0 0 0 0 0 0 0 0999 V2000 -1.4305 -0.3582 -0.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1497 -0.0658 -0.6871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9283 -0.7155 -0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7695 -1.6350 0.9554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5025 -1.9320 1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5745 -1.2828 0.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7815 0.0711 -0.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6187 -0.6323 0.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9997 -0.5047 0.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5637 0.3795 -0.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7730 1.1012 -1.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3891 0.9474 -1.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8922 -1.4526 1.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4168 1.8585 -2.5640 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5541 -0.3732 -0.6746 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0049 0.6386 -1.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6434 -2.1137 1.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6494 -2.6391 2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6008 -1.0677 1.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6408 0.5158 -0.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2326 1.7834 -2.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 12 14 1 0 3 15 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 13 1 0 13 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 7 2 0 8 7 1 0 7 1 1 0 6 1 1 0 1 2 2 0 3 2 1 0 2 16 1 0 4 17 1 0 5 18 1 0 9 19 1 0 10 20 1 0 11 21 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. > 2014-06-11 > R29677 > B3LYP/6-31G* > 2.8068 debye > -1456.51877246 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 63.2292 0.1315 115.8107 0.2672 116.9231 0.7480 158.4154 0.4862 226.6656 0.5969 237.8798 0.5213 307.4720 0.0169 332.7829 0.4540 350.5279 0.9034 371.5914 0.9786 414.8589 8.7333 441.0446 1.8592 496.3812 0.0661 523.2978 1.1594 567.0572 0.8908 587.5264 0.1501 593.9250 3.4526 614.8558 15.8763 672.7473 9.2887 719.9480 21.6533 724.2315 2.6763 755.5942 6.2616 786.2852 39.0801 809.1427 19.7443 822.8036 35.3306 877.5796 1.3618 889.3520 0.2188 894.8064 10.9960 941.1343 76.6521 943.8677 0.1008 962.8954 0.7394 1034.5838 25.1954 1087.2133 3.5633 1096.3289 60.8949 1148.9293 2.1757 1170.9130 7.6830 1200.1600 10.8076 1237.6001 99.5189 1282.9889 8.6272 1285.2044 22.4772 1302.4222 34.7272 1360.9157 9.4916 1388.7695 3.6181 1447.3621 15.1238 1480.9619 53.6704 1498.1802 115.5236 1524.6814 11.7302 1622.8553 27.8140 1635.2044 6.5712 1646.2706 7.7219 1680.1969 9.9124 3206.3234 5.1391 3222.8740 0.7428 3227.5348 3.1448 3234.6037 5.5563 3235.7309 2.6831 3252.4817 0.4442 > 0.84670 GHz 0.33207 GHz 0.23852 GHz > Gaussian 09, Revision D.01 > Sonia Dermer $$$$