NIST 06261404353D 1 1.00000 -1903.43428 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 26 25 0 0 0 0 0 0 0 0999 V2000 0.4791 1.0469 1.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8587 1.4845 0.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9854 0.4155 0.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8344 -0.9321 -0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6549 -0.9515 -1.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 -0.2607 -2.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7923 -0.6345 -3.9717 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5101 -0.4610 -4.8019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7294 1.9511 -0.6064 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2971 2.4950 1.4508 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1209 0.0724 2.0159 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1309 1.0036 0.2895 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7505 -1.5684 0.4592 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9342 -1.6611 0.2405 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4645 -0.3822 -1.9043 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6118 -2.2635 -1.9470 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9701 -0.5918 -1.9543 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5930 1.0784 -2.3648 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7353 0.1710 -4.5303 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1999 -1.9205 -4.0953 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0024 0.7789 -4.6028 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -1.3869 -4.4291 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 2.1665 1.3894 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1374 0.2790 0.2605 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 0.4951 2.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7507 -0.5949 -5.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 5 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 26 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. > 2014-06-26 > R345458 > B3LYP/6-31G* > 0.9268 debye > -1903.43428127 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 32.5631 0.5200 39.8402 0.2422 52.5148 0.5327 59.3806 0.4678 78.7346 0.6284 98.6298 0.4856 110.4688 0.5648 119.9863 0.0626 128.4694 0.3706 150.2472 1.7980 166.3601 1.2313 189.2860 1.2349 198.3396 2.4922 212.4316 3.1768 224.5084 10.2429 232.4861 3.1434 256.9941 0.2928 268.1665 0.6246 274.1016 2.4055 282.2569 1.2567 296.3866 0.6244 297.2183 0.7621 313.9233 1.6137 318.4046 0.1497 332.4839 0.3209 345.0446 0.3710 361.6787 0.1017 371.6778 0.6541 382.9112 1.1975 419.6409 6.0147 456.6916 1.5847 486.7869 3.0094 505.4008 12.1996 521.5343 9.6000 545.6673 18.8794 565.7038 16.1951 583.8083 25.2925 599.8289 12.2402 627.7617 11.8071 635.0333 3.7611 650.8900 2.7641 671.3812 4.4533 727.5218 54.6979 829.7193 156.9816 867.7472 131.6099 958.0050 92.9846 1048.5350 91.2919 1117.2751 49.9359 1136.1365 30.3485 1148.9910 74.2968 1156.1937 50.8994 1163.4263 162.2468 1169.4048 114.6536 1174.8461 2.0155 1186.1409 29.5203 1202.7660 33.4590 1203.7790 145.4223 1218.1220 328.7211 1234.0791 193.3762 1236.9483 234.1242 1262.6270 121.3846 1268.1367 44.6744 1293.2958 20.2901 1304.9886 29.6488 1307.9764 60.1027 1330.7214 16.6143 1408.6190 17.9319 1412.6113 18.5339 1439.0438 18.1249 1439.7266 13.8880 3108.7574 31.3155 3129.3304 20.0811 > 0.41726 GHz 0.18140 GHz 0.16906 GHz > Gaussian 09, Revision D.01 > Sejal Aggarwal $$$$