NIST 08031215063D 1 1.00000 -2301.68570 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 6.2213 2.0041 -0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2061 3.4489 -0.1473 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7691 0.7693 0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9066 2.1288 -0.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9877 -0.3912 -0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1440 0.9665 -0.8474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6624 -0.2837 -0.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5575 -1.7180 0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4879 1.0858 -1.4161 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7756 -2.6708 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8844 -2.0322 -0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3248 -3.9083 1.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 -3.2780 0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3400 -5.0876 2.1261 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6411 -4.2361 0.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0618 -3.6621 -0.1383 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.7865 0.7159 0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4920 3.0955 -1.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0474 -1.1683 -0.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7571 -2.4418 1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4995 -1.3237 -0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0567 -5.2021 1.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 5 8 1 0 6 9 1 0 12 14 1 0 13 16 1 0 1 3 1 0 3 5 2 0 5 7 1 0 7 6 2 0 6 4 1 0 1 4 2 0 8 10 1 0 10 12 2 0 12 15 1 0 15 13 2 0 13 11 1 0 8 11 2 0 3 17 1 0 4 18 1 0 7 19 1 0 10 20 1 0 11 21 1 0 15 22 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 > 33284-52-5 > B3LYP/6-31G* > 0.0014 debye > -2301.68569604 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 24.6027 0.0000 59.2349 0.2666 61.4955 0.1867 149.4578 0.0000 155.7088 0.0072 171.9494 0.2768 198.6042 0.7019 206.2618 0.0369 213.2910 0.0220 223.3947 0.0000 247.8960 0.0068 290.6342 0.0000 398.8307 7.5824 406.1367 2.3546 413.2867 0.0000 428.6558 1.1718 441.5728 6.9472 464.4486 0.8777 538.6384 0.4589 539.8950 0.0015 575.9403 0.2803 615.7191 0.4082 680.9583 45.5373 688.1950 9.8298 706.9068 0.0991 807.2575 174.5434 807.7073 28.4899 868.8032 66.9023 872.8504 2.7769 886.4793 0.8381 892.7045 0.0161 897.6635 1.5849 904.9487 0.0291 910.9385 0.0261 1008.8346 7.1811 1014.3625 0.0001 1112.3460 56.9757 1135.3875 5.9053 1136.2203 27.3578 1144.2041 56.7587 1151.2974 0.0505 1286.2456 0.1553 1292.5379 0.0950 1304.0925 0.0005 1340.3745 0.0018 1348.8868 1.7507 1428.1040 56.9863 1460.5377 49.3844 1475.9741 13.1724 1495.4789 0.0017 1602.9879 221.5541 1619.2300 22.7645 1638.3872 158.5540 1640.5529 0.2364 3229.0821 0.0512 3229.6189 0.8250 3233.7533 0.0989 3234.3883 0.0109 3246.0065 1.1580 3248.2382 1.1053 > 0.42561 GHz 0.17260 GHz 0.13138 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$