NIST 08061409233D 1 1.00000 -1264.76971 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 6.5551 1.9602 -0.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1734 0.7282 -0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1700 2.0576 -0.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4188 3.1697 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3891 -0.4055 -0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3654 0.9193 -0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9992 -0.3104 -0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9038 0.9615 -0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7126 4.3195 -0.8543 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0204 3.1084 -2.1021 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4051 3.2666 0.0277 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1177 2.0371 -0.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 1.8817 -0.7446 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9730 4.1330 -1.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9415 4.9786 -1.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6035 2.8858 -0.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6048 4.6177 -1.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2537 6.1986 -2.0668 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2832 2.4579 -0.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5751 2.0398 -0.3186 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0759 3.1118 -0.9506 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0433 0.8444 -0.5937 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 3.3481 -1.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2560 0.6664 -0.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7163 3.0226 -0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8596 -1.3641 -0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3903 -1.1979 -0.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3964 0.0093 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5044 3.0386 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0117 4.4315 -1.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8244 5.3008 -1.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0559 1.4728 -0.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 4 9 1 0 4 10 1 0 4 11 1 0 6 8 1 0 8 12 2 0 12 13 1 0 13 21 1 0 13 22 2 0 15 18 1 0 16 20 1 0 21 23 1 0 1 2 1 0 2 5 2 0 5 7 1 0 7 6 2 0 6 3 1 0 1 3 2 0 14 15 1 0 15 17 2 0 17 23 1 0 23 19 2 0 19 16 1 0 14 16 2 0 2 24 1 0 3 25 1 0 5 26 1 0 7 27 1 0 8 28 1 0 12 29 1 0 14 30 1 0 17 31 1 0 19 32 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. > 2014-08-06 > U292633 > B3LYP/6-31G* > 2.7902 debye > -1264.76970839 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 6.8406 0.0022 21.2888 0.9796 26.2902 0.2977 30.7332 0.2896 37.4088 0.9511 86.4780 0.3811 93.5349 0.6732 134.5116 0.0050 145.6976 0.0472 178.9202 0.2157 198.3873 1.0546 226.6493 0.7799 252.7761 0.0761 257.6893 0.1354 271.2324 0.2656 286.9928 0.9933 300.4345 1.7675 324.9540 0.6140 336.7563 2.2391 349.3028 8.1636 401.7320 4.4694 452.1614 1.1443 462.6799 4.5000 512.6239 7.9499 514.5459 3.0592 533.6683 0.3610 534.8616 1.5903 564.9526 24.7457 591.4593 23.8749 603.4028 0.0512 609.9756 0.0191 632.7007 0.7216 653.5810 3.8317 670.1198 7.6634 673.0791 9.7021 700.1961 16.2174 726.1955 0.4787 752.5912 0.9680 786.3813 1.3895 816.1296 36.1842 828.0457 68.1585 847.2733 9.1363 867.2248 15.2568 886.9640 9.3886 918.3943 18.2039 925.7074 8.9111 938.0169 0.2360 972.0951 2.9329 988.4895 0.2153 1016.5306 3.1575 1021.0697 17.7860 1026.4861 44.7474 1037.9828 25.3697 1046.4568 33.5113 1101.0588 65.1540 1126.8912 32.4924 1144.9092 4.5944 1164.1888 134.4925 1183.7019 1405.1302 1190.3664 259.5794 1209.1662 54.2905 1217.0270 100.7331 1228.5047 53.7224 1250.0985 11.5691 1308.9995 145.0348 1349.0581 166.6023 1354.3420 202.4900 1363.3379 6.8180 1366.2392 80.3957 1379.7877 124.4148 1388.9219 18.0341 1493.5358 0.7335 1508.7956 158.2225 1510.3587 73.5594 1533.8601 17.2489 1642.2043 13.1495 1659.0951 225.5069 1666.7314 62.3585 1672.5396 222.7609 1700.7718 137.7764 1805.1653 181.2988 3178.8954 0.6425 3194.1008 4.0934 3209.4430 9.4300 3222.4077 6.2970 3223.4364 7.4340 3236.2172 0.8354 3248.1847 0.1201 3252.0337 0.3658 3304.0716 13.3583 > 0.56119 GHz 0.07462 GHz 0.06678 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$