NIST 06301521213D 1 1.00000 -388.27336 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 22 22 0 0 0 0 0 0 0 0999 V2000 5.4160 1.8081 0.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7003 2.4477 2.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 3.0255 1.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9127 0.5705 0.9651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 2.2074 1.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2315 4.3977 1.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2559 0.7217 1.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9888 2.7994 1.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0189 4.9736 1.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8896 4.1675 1.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5214 2.4388 0.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6044 1.7149 2.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3255 3.2635 2.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 0.1732 0.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8272 -0.0915 1.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1136 5.0264 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9981 0.2214 1.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5317 0.5117 2.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2832 0.2547 1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1058 2.1712 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 6.0421 0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0647 4.5978 0.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 5 2 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 3 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 10 2 0 0 0 0 8 20 1 0 0 0 0 9 6 2 0 0 0 0 9 21 1 0 0 0 0 10 9 1 0 0 0 0 10 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. > 2015-06-30 > 1587-04-8 > B3LYP/6-31G* > 0.2372 debye > -388.273363561 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 59.2034 0.0709 84.9068 0.0958 132.0505 0.0502 154.5648 0.3274 207.8419 0.9120 291.6094 0.4051 312.3074 2.4435 365.8651 0.9580 429.4539 0.1531 463.5675 4.1510 512.7879 0.6854 546.0120 0.6659 581.3667 1.6817 660.8296 7.1672 735.9007 1.0730 759.0564 30.5097 786.5524 7.9859 850.0546 0.7500 883.7508 0.2793 928.1745 16.2397 933.6095 19.3533 939.0685 10.9843 949.2709 1.6581 981.6688 0.0004 1020.2543 2.7461 1037.2641 12.1190 1076.0450 4.9601 1080.4147 5.0179 1110.6212 0.0650 1154.8245 5.2617 1195.7040 0.1082 1205.1542 1.3977 1239.0176 0.1179 1251.8088 2.2646 1324.4135 2.0067 1333.8815 1.7022 1346.2730 1.5301 1357.0803 0.4457 1444.9256 1.1740 1471.1274 1.5169 1490.9999 0.4704 1508.0880 4.6882 1516.2752 9.0178 1528.7809 13.4756 1542.1045 12.5587 1636.5754 0.0517 1663.8204 1.1719 1724.9408 8.8018 3029.4022 26.2628 3040.3815 24.3781 3077.5217 16.0058 3097.0423 16.7378 3127.6738 15.6947 3148.3802 18.4034 3157.6946 5.8007 3170.0059 15.4430 3175.8718 3.4727 3190.5383 32.6850 3205.7675 30.5023 3234.7592 20.7699 > 2.47681 GHz 0.93741 GHz 0.73759 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$