NIST 08031215093D 1 1.00000 -4140.02774 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 7.1722 1.9101 -2.6947 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1755 1.3067 -1.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7933 0.6414 -0.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7838 1.4943 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9709 0.1662 0.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2744 0.4480 -0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0443 2.3181 -2.7847 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0019 1.0003 -0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6685 -0.6708 2.0724 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5918 0.3389 0.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8573 -0.7017 -0.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1017 1.4086 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2707 1.1949 -0.3856 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.8407 -1.8973 -1.6008 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.2459 -0.8831 -0.7997 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3886 2.8361 1.0166 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.4893 1.2189 0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0077 -2.2938 -1.4818 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.0539 0.0763 -0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5493 2.3856 1.1048 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9773 -0.0375 1.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1271 -0.0671 -0.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 6 1 0 4 7 1 0 5 9 1 0 8 13 1 0 11 14 1 0 12 16 1 0 15 18 1 0 17 20 1 0 2 3 1 0 3 5 2 0 5 10 1 0 10 8 2 0 8 4 1 0 2 4 2 0 6 11 1 0 11 15 2 0 15 19 1 0 19 17 2 0 17 12 1 0 6 12 2 0 10 21 1 0 19 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 > 40186-71-8 > B3LYP/6-31G* > 0.9396 debye > -4140.02773782 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 24.0503 0.0143 33.5509 0.0118 39.6234 0.0361 69.9201 0.0012 73.8419 0.0038 92.8493 0.0393 94.2278 0.0070 135.5456 0.0145 166.0013 0.4721 166.3833 0.4568 200.0033 0.1694 202.3251 0.1303 216.9995 0.1171 220.2114 0.3256 225.1360 0.0045 264.2992 0.2773 291.4305 0.2168 316.9686 0.1683 319.7370 0.0010 331.5908 0.2736 352.3148 0.0132 352.5332 0.0078 377.8407 0.0153 384.6657 0.1345 477.4154 19.3852 518.7096 11.3917 538.4641 1.1025 556.4890 9.6807 557.5761 0.2420 591.2385 13.5228 609.2937 0.0005 619.6566 21.4948 650.0263 24.3628 679.3754 40.3194 746.1417 5.6048 754.6473 19.6601 777.9144 7.7189 823.5711 54.8208 872.8121 4.0782 874.2806 10.3888 884.3934 15.8813 908.6335 40.6171 1061.5318 55.9278 1125.2328 16.1283 1175.9585 3.2164 1200.5332 45.9644 1202.3580 50.8773 1261.8872 16.0167 1290.3130 1.4786 1290.3983 0.9448 1357.6041 105.2162 1398.2167 81.2934 1428.0892 145.4162 1468.5422 50.4076 1570.9826 25.6018 1589.5277 0.6576 1593.4474 13.0330 1609.4387 45.1401 3244.3658 1.6983 3248.9419 1.9088 > 0.26837 GHz 0.12033 GHz 0.11229 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$