NIST 07081520513D 1 1.00000 -313.25890 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 22 21 0 0 0 0 0 0 0 0999 V2000 1.3534 0.5041 0.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4397 0.2168 -0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7323 -1.0127 -0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0851 -2.3016 -0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7821 -2.5775 -0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2602 -1.6837 -0.9364 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0297 -3.3589 0.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2334 1.4204 -0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7474 1.1166 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9305 -0.4111 1.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5339 1.0813 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5983 -1.1006 -1.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4349 -3.5731 -0.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1835 -0.7925 -1.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9972 -1.3522 -0.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8219 -2.2214 -1.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4873 -3.0426 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8572 -3.5359 -0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5189 -4.3129 0.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5809 2.1732 -0.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 1.1532 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 1.9161 0.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 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. > 2015-07-08 > 82937-00-6 > B3LYP/6-31G* > 0.3856 debye > -313.258902930 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 81.7936 0.0443 111.2472 0.1772 153.4416 0.7919 184.0719 0.9399 194.9063 0.1180 200.3662 0.2125 218.5420 0.9913 266.9821 1.1696 272.6707 0.8712 354.1391 1.3447 402.8430 1.0838 428.7779 2.4063 460.8562 0.8888 567.5657 4.6437 589.1427 0.9477 808.7352 6.6162 850.1989 9.0889 858.4335 4.6027 877.7708 5.9974 974.1791 0.0724 987.3852 1.3622 1027.2470 2.8082 1073.7042 11.2654 1075.1130 6.4639 1080.9114 2.6518 1091.4330 5.6386 1116.4468 4.3931 1119.9724 2.0880 1209.9489 3.6696 1241.1994 6.0215 1377.8349 5.9559 1408.5103 0.5651 1437.6113 4.1776 1440.5348 2.2686 1442.7147 1.1300 1448.7370 1.0180 1503.4518 1.5528 1507.9198 7.9565 1509.3098 3.4024 1513.2540 3.7517 1518.4332 10.9091 1523.2682 7.3176 1525.5802 6.9222 1529.5828 5.2053 1726.4234 3.2856 1731.7485 4.0677 3023.4420 21.9937 3027.6563 36.8414 3029.5158 55.0220 3030.9611 39.7387 3067.2850 5.7809 3071.6080 69.0642 3071.6704 7.5833 3076.8604 24.5777 3108.4618 21.6843 3119.3408 21.6418 3123.4739 37.0179 3128.6379 5.1051 3143.6932 50.2892 3147.1160 10.5017 > 2.57182 GHz 1.40953 GHz 1.08005 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$