NIST 08031215023D 1 1.00000 -4062.57089 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 18 19 0 0 0 0 0 0 0 0999 V2000 5.7275 1.9573 -0.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6446 3.1743 -1.7158 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6144 1.0890 -0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8462 1.9546 0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5657 0.4513 1.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5461 0.8094 -1.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1772 3.0228 0.0352 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9157 1.0643 1.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 -0.0246 1.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7973 0.3390 1.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7399 1.0505 -2.8353 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3801 0.1984 -0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4105 0.9092 2.3150 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9810 -0.3037 3.2426 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2172 -0.1337 0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9943 -0.8418 3.0898 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1016 -0.1658 -1.8050 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6682 -0.6786 1.2389 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 4 7 1 0 6 11 1 0 8 13 1 0 9 14 1 0 10 16 1 0 12 17 1 0 15 18 1 0 12 15 2 0 15 9 1 0 9 5 2 0 5 10 1 0 10 8 2 0 8 4 1 0 4 1 2 0 1 3 1 0 5 3 1 0 3 6 2 0 12 6 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 > 2234-13-1 > B3LYP/6-31G* > 0.0005 debye > -4062.57088568 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 39.4824 0.0017 46.7498 0.0000 52.2379 0.0008 73.6050 0.0113 86.6263 0.0000 120.4181 0.1073 172.7173 0.2231 215.6162 0.8911 216.9206 0.0007 224.8120 0.0215 237.5131 0.0611 245.8604 0.0272 263.6303 0.0000 265.3044 0.0001 267.1896 0.0222 287.8317 0.0001 288.8043 2.6969 344.0580 1.8226 344.8017 0.0066 347.5768 0.0175 364.7921 0.5907 406.6805 0.5123 410.6893 0.0000 551.7852 0.2502 569.5755 71.5238 593.0228 0.1778 618.1234 2.2917 635.7409 0.1887 665.6439 92.9171 676.1995 0.0015 698.6159 6.7632 748.4512 9.1910 778.6098 19.7745 796.4501 0.0001 857.6117 14.5691 962.1640 28.4683 1020.2140 0.0001 1052.8857 5.8249 1186.4334 74.2440 1260.6507 181.3774 1304.3485 0.0407 1306.9227 217.4735 1347.2496 0.0008 1373.7873 13.8775 1434.9523 37.1864 1536.7980 0.0007 1555.8533 103.5738 1569.8199 9.4620 > 0.27357 GHz 0.17305 GHz 0.11173 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$