NIST 07061517563D 1 1.00000 -2761.26506 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 22 23 0 0 0 0 0 0 0 0999 V2000 6.1604 1.7839 0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7874 0.6137 -0.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7742 1.9541 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1313 3.0276 0.8760 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9777 -0.3653 -0.9355 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2675 0.4377 -0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5993 -0.2030 -1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6934 -1.8437 -1.5483 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 0.9579 -0.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9763 3.3958 0.5865 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.0640 0.1252 -0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2598 -0.3270 0.9379 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4663 0.7311 -1.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8755 -0.1715 0.8714 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9018 -0.7562 2.2078 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.0852 0.8883 -1.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4670 1.3057 -2.5315 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0026 -0.9801 -1.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9295 1.0993 -0.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1412 0.0077 -0.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7050 -0.8014 1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6356 1.3621 -2.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 6 1 0 0 0 0 2 5 2 0 0 0 0 3 10 1 0 0 0 0 5 8 1 0 0 0 0 5 7 1 0 0 0 0 6 14 1 0 0 0 0 6 16 2 0 0 0 0 7 9 2 0 0 0 0 7 18 1 0 0 0 0 9 3 1 0 0 0 0 9 19 1 0 0 0 0 11 13 2 0 0 0 0 11 20 1 0 0 0 0 12 11 1 0 0 0 0 12 21 1 0 0 0 0 13 17 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 12 2 0 0 0 0 16 22 1 0 0 0 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. > 2015-07-06 > 38379-99-6 > B3LYP/6-31G* > 1.2196 debye > -2761.26505796 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 18.2556 0.0360 46.0847 0.2417 59.3908 0.2379 92.6993 0.3164 96.4814 0.7227 106.3209 0.5496 145.3056 0.0363 211.8023 0.0219 218.3054 0.3736 227.9314 1.3550 275.7207 0.7431 300.5250 0.6514 312.1505 0.0485 320.9628 0.0315 332.2311 0.1231 334.0846 0.0143 417.2684 2.1338 438.7381 1.2940 470.6185 7.8667 490.0235 0.0738 533.6520 12.1410 556.6663 25.9507 561.1047 22.1608 612.0934 6.2509 631.4061 8.6469 660.9300 5.8785 725.2093 0.6620 741.8331 4.4883 749.3276 12.5985 810.0628 44.5497 823.6187 25.9879 828.0037 27.3685 868.1499 7.2073 900.3208 3.0936 954.7366 0.0441 957.6534 0.0033 1037.9215 77.1926 1087.5662 32.4879 1122.6451 54.4194 1136.7408 5.9612 1167.6377 6.9705 1173.7635 2.4891 1202.8254 59.5903 1267.6813 0.3505 1291.3393 6.1327 1300.0650 0.1404 1322.3895 0.7334 1401.7541 32.9708 1432.1384 52.0114 1474.5992 98.3556 1514.3106 47.7804 1601.9032 8.0114 1611.5628 6.3590 1616.8660 0.0597 1640.3551 6.2606 3221.5078 0.6698 3224.8519 0.2774 3227.2961 0.2190 3234.6441 1.4669 3238.5126 0.5712 > 0.39210 GHz 0.19610 GHz 0.18040 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$