NIST 07021500043D 1 1.00000 -693.16574 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 30 33 0 0 0 0 0 0 0 0999 V2000 4.1742 3.9469 4.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 2.9971 4.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9973 3.1177 3.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1359 1.9871 5.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2562 3.8264 5.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1177 4.9569 3.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9503 4.1185 2.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2086 1.8759 6.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3032 2.8256 6.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0449 5.0681 2.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8544 4.2483 1.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2745 0.8522 7.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3991 2.6958 7.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 6.0918 1.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8349 5.2408 0.8297 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3401 0.7672 8.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4187 1.7032 8.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9135 6.1768 0.7393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 2.4059 3.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3154 1.2754 5.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0764 4.5382 5.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9382 5.6684 3.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0359 3.5357 1.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4536 0.1419 7.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2175 3.4085 7.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 6.8021 1.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0023 5.3266 0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3763 -0.0142 9.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2559 1.6174 8.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8774 6.9581 -0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 1 1 0 0 0 0 2 3 2 0 0 0 0 3 7 1 0 0 0 0 3 19 1 0 0 0 0 4 2 1 0 0 0 0 4 20 1 0 0 0 0 5 9 2 0 0 0 0 5 21 1 0 0 0 0 6 1 2 0 0 0 0 6 22 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 4 2 0 0 0 0 8 9 1 0 0 0 0 9 13 1 0 0 0 0 10 6 1 0 0 0 0 11 15 1 0 0 0 0 11 23 1 0 0 0 0 12 8 1 0 0 0 0 12 24 1 0 0 0 0 13 17 2 0 0 0 0 13 25 1 0 0 0 0 14 10 2 0 0 0 0 14 26 1 0 0 0 0 15 18 2 0 0 0 0 15 27 1 0 0 0 0 16 12 2 0 0 0 0 16 28 1 0 0 0 0 17 16 1 0 0 0 0 17 29 1 0 0 0 0 18 14 1 0 0 0 0 18 30 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. > 2015-07-02 > 92-24-0 > B3LYP/6-31G* > 0.0001 debye > -693.165736057 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 56.1296 0.4754 91.1893 0.0004 151.3842 0.0000 162.2438 1.1332 195.0971 0.0000 273.5194 0.4406 303.2860 0.0000 318.4184 0.0000 321.8937 0.0000 382.7863 0.0000 445.4147 0.0367 478.0558 17.3846 481.0221 0.0000 486.3934 0.1346 504.3165 0.0000 521.0931 0.0000 562.9868 9.8355 567.5265 0.0001 617.5129 2.1634 634.1932 0.0000 644.6439 1.4033 735.7383 0.0000 748.9619 0.0000 761.3150 2.0877 762.7997 65.8495 765.5037 0.0000 769.6847 0.0038 779.5333 0.0000 787.8956 0.0000 848.7557 0.0000 858.8758 0.0000 859.4754 0.0000 872.3729 0.0000 896.8753 0.0001 909.1609 0.0028 909.6482 70.1791 924.5206 0.0000 943.0872 2.0906 960.5727 0.0000 962.1378 7.0052 989.6018 0.0000 989.9935 0.0000 1030.4413 4.4586 1032.1153 0.0002 1156.8401 4.7067 1158.7833 0.0000 1164.4815 1.7768 1195.3107 0.0000 1199.1981 0.4135 1216.8357 0.0000 1234.7317 2.2135 1239.5211 0.0000 1301.6875 0.0000 1309.7791 4.5181 1324.5136 11.8472 1331.8628 0.7982 1368.8536 0.0000 1385.9731 7.3222 1426.6603 0.0000 1431.8970 1.4150 1441.7364 0.0000 1447.7150 1.7477 1493.6943 0.0000 1498.3689 0.0000 1519.8548 2.0777 1573.8840 0.0000 1592.9616 0.0000 1600.1154 2.6063 1623.2907 0.5810 1663.2649 0.0000 1680.6633 0.0000 1693.8120 8.7415 3172.9428 0.0001 3174.4709 1.5395 3176.0511 15.6974 3178.3362 0.0002 3178.7513 0.0002 3179.3400 29.1344 3183.0843 1.1776 3184.0131 0.0000 3196.8877 0.0044 3196.9696 75.1915 3209.3149 96.6726 3209.6353 0.0001 > 1.63406 GHz 0.21334 GHz 0.18871 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$