NIST 07011512333D 1 1.00000 -469.32131 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 32 33 0 0 0 0 0 0 0 0999 V2000 1.0259 2.1470 2.7454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5734 0.9155 3.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6239 3.4513 3.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0986 0.8078 3.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8126 2.1580 3.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9533 3.1992 4.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0664 2.3648 2.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1342 3.0490 0.9304 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2923 4.1336 1.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3832 1.7115 0.8814 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8148 3.6836 3.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9035 1.2839 2.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0695 2.1733 2.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2898 2.0613 1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0902 -0.0000 3.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 0.9852 4.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9121 3.9187 4.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7935 4.1750 2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2763 0.3836 2.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5154 0.0832 3.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4761 4.1462 4.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7130 2.8286 5.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0731 2.9149 1.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4160 3.3668 -0.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4127 4.3589 0.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 5.0653 1.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0224 0.9296 0.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5103 1.8075 0.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2189 4.4786 3.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7030 3.5568 3.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3728 0.3306 2.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7935 1.0997 2.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 1 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 6 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 2 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 4 1 0 0 0 0 5 7 2 0 0 0 0 6 5 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 8 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 9 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 7 1 0 0 0 0 12 31 1 0 0 0 0 12 32 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. > 2015-07-01 > 4233-18-5 > B3LYP/6-31G* > 0.1224 debye > -469.321305325 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 33.4955 0.0298 73.1501 0.1184 94.4798 0.0505 132.0244 0.0162 183.1946 0.0474 257.0518 0.1160 281.4612 0.0639 303.8725 0.0681 357.3601 0.8309 412.9012 1.6100 420.5595 0.2826 440.5581 0.8401 462.4232 0.0464 489.1635 0.0294 509.3046 0.7857 544.7170 0.9508 672.0517 1.1350 701.9895 0.5824 786.1669 3.1928 799.9826 0.2162 815.5404 0.0833 849.3013 0.3587 868.2385 1.1959 873.5982 2.5194 894.3092 1.5538 900.5088 1.8570 915.7315 0.0634 946.4634 0.5526 957.8007 0.7444 987.9795 0.8932 1027.5476 3.9311 1040.3875 0.2173 1047.9352 2.0570 1082.1089 0.1272 1094.0416 0.2355 1111.8606 0.2556 1122.5592 2.5121 1134.9455 0.7752 1149.5154 0.5264 1153.1654 6.7751 1177.5721 2.0538 1216.5458 3.6165 1260.6090 0.7404 1278.8249 12.6109 1283.3259 2.2091 1289.9262 2.8305 1300.1307 10.4914 1308.4450 0.6932 1313.1540 4.2967 1359.8444 0.5719 1363.4138 0.7065 1367.6085 0.6845 1377.0055 0.7224 1380.7513 1.4109 1383.1905 0.7381 1396.6243 5.3557 1397.4104 5.7873 1400.7530 2.2373 1403.6193 3.3902 1503.0252 2.1580 1506.2304 0.5136 1512.6965 1.5093 1515.1805 2.0240 1517.2531 1.5035 1519.3962 4.5233 1525.4545 4.9078 1533.0729 1.4046 1535.5739 6.6477 1548.4548 2.1211 1728.1686 0.0404 2992.4362 6.4219 2999.4401 54.6749 3011.1672 24.0640 3015.3385 25.1042 3018.7413 29.0665 3028.9270 28.9690 3030.1769 26.8339 3032.4194 19.6751 3041.0406 32.5999 3043.7148 52.0352 3059.2798 29.1430 3066.4371 81.0053 3069.3425 40.7601 3072.1506 23.1791 3076.2648 98.1149 3082.7905 48.3705 3090.4547 92.6911 3110.4385 22.2976 3118.8102 33.1168 3132.9934 44.2443 > 1.78969 GHz 0.54549 GHz 0.48285 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$