NIST 06221414283D 1 1.00000 -312.01396 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 20 19 0 0 0 0 0 0 0 0999 V2000 0.6280 0.2566 0.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 -0.3761 0.8634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9785 -1.8504 0.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2995 -2.1888 0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6495 -3.6491 0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7753 -4.4722 -0.8261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4942 -0.3491 -0.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5163 0.3523 -0.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5866 1.3426 0.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 0.2406 1.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0634 -2.1977 1.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -2.4250 0.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2207 -1.8804 -0.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1088 -1.5896 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7942 -4.0440 1.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0248 -5.5225 -0.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6379 -4.1247 -1.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4951 -1.4317 -0.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3372 -0.1308 -1.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5635 1.4360 -0.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 1 7 1 0 7 8 2 0 1 9 1 0 2 10 1 0 3 11 1 0 3 12 1 0 4 13 1 0 4 14 1 0 5 15 1 0 6 16 1 0 6 17 1 0 7 18 1 0 8 19 1 0 8 20 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. > 2014-06-22 > R294078 > B3LYP/6-31G* > 0.3456 debye > -312.013958929 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 35.9104 0.0340 69.9130 0.0625 101.1863 0.0889 133.1428 0.1088 173.2991 0.0408 239.3633 0.4663 300.6436 0.8386 374.4351 0.5237 417.7269 4.2747 459.9276 0.7924 613.8919 2.0632 647.6020 12.3687 678.3055 22.6054 797.5546 1.5625 819.7678 7.3588 912.9899 0.4189 925.3992 42.0205 940.0563 35.9857 949.9805 1.2634 975.6186 7.4300 997.3323 3.2599 1024.1702 4.7093 1035.0304 11.4410 1046.6607 10.8253 1052.7221 1.0068 1124.2048 0.5277 1194.5785 0.8647 1243.7361 2.7500 1285.6537 5.2325 1307.8776 4.3417 1321.0346 0.2736 1340.3241 0.9589 1341.4132 0.6164 1381.0949 2.3162 1419.6665 1.6759 1474.7198 0.9272 1492.8198 9.5577 1508.9252 2.1435 1523.5438 5.0693 1677.9449 0.9775 1729.1974 5.5490 1733.2729 10.6164 3015.5507 21.1997 3017.7968 34.0451 3078.4519 13.5384 3102.7421 15.7365 3135.2274 26.1747 3136.2924 12.2322 3156.3155 13.1551 3156.6162 13.1490 3161.7182 24.2056 3175.2028 16.4736 3234.6587 22.8495 3244.9301 18.0202 > 4.70528 GHz 0.74852 GHz 0.67471 GHz > Gaussian 09, Revision D.01 > Sonia Dermer $$$$