NIST 08031215093D 1 1.00000 -3985.33578 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 15 15 0 0 0 0 0 0 0 0999 V2000 -7.7048 -0.4263 0.5596 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2174 -0.3365 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7987 1.1051 -0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6758 2.1331 -0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1515 1.9909 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8848 2.9387 -0.0199 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7029 0.5346 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3250 0.4744 0.5637 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -8.8896 0.1587 -1.9372 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -8.2770 -2.1128 0.5456 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.6739 0.1855 2.2737 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.0118 -1.2400 -1.5636 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.0998 -1.1291 1.1791 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.1637 3.7555 -0.6215 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.1140 1.3617 -0.5307 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7 8 1 0 7 9 1 0 1 10 1 0 1 11 1 0 2 12 1 0 5 6 2 0 2 13 1 0 4 14 1 0 3 15 1 0 3 4 2 0 4 5 1 0 5 7 1 0 7 1 1 0 1 2 1 0 3 2 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. > 2012-08-03 > 4024-81-1 > B3LYP/6-31G* > 1.6217 debye > -3985.33578113 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 45.3936 0.3260 63.4239 0.0963 93.8441 0.2143 147.0757 1.2610 152.9464 0.0545 156.1844 0.1403 169.2913 0.1738 196.9451 0.0342 212.6521 0.3388 221.2597 0.0484 223.6822 0.0879 237.4959 0.1526 244.0253 0.3689 256.2133 0.4455 271.5325 1.2445 304.5896 0.3400 343.6714 2.7027 345.6962 0.2515 354.5087 2.0380 370.4485 1.2732 386.4981 0.6315 454.2556 6.7093 567.3120 4.3792 654.7696 54.9664 671.0941 118.3536 693.0825 77.9575 717.4868 140.7485 741.5489 43.4109 788.9545 6.1456 798.4922 9.2291 883.7068 29.5230 914.0902 13.8787 959.9004 8.2679 1024.3684 78.4053 1042.4575 21.8006 1113.6136 27.0409 1211.4937 121.9760 1614.8111 80.9970 1826.9729 154.4568 > 0.34479 GHz 0.29723 GHz 0.22574 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$