NIST 08031215063D 1 1.00000 -1902.24825 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 24 24 0 0 0 0 0 0 0 0999 V2000 -3.9209 0.9929 1.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1214 1.9618 1.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1593 -0.1261 0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6981 0.4162 2.3819 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8285 1.7013 0.8208 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.5886 2.5395 -0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1475 1.2825 1.8895 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.7463 2.9652 2.1402 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.8214 1.4005 -1.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8317 3.4705 0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5721 3.3313 -0.5209 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 0.4225 -1.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9118 0.6850 -0.7099 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.0599 1.9700 -2.2858 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.9041 -0.7186 -2.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5654 1.1433 -1.7601 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1156 -0.9559 0.6235 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0057 -0.8121 0.0022 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.1303 4.0252 -1.0775 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.5551 4.4556 0.9676 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.9002 2.7982 0.5466 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1948 -0.1967 -3.4623 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.9260 -1.4864 -1.8690 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8157 -1.4875 -2.3987 F 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 1 5 1 0 2 7 1 0 2 8 1 0 3 17 1 0 3 18 1 0 6 10 1 0 6 11 1 0 9 13 1 0 9 14 1 0 10 19 1 0 10 20 1 0 10 21 1 0 12 15 1 0 12 16 1 0 15 22 1 0 15 23 1 0 15 24 1 0 1 2 1 0 2 6 1 0 6 9 1 0 9 12 1 0 12 3 1 0 1 3 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. > 2012-08-03 > 335-27-3 > B3LYP/6-31G* > 0.2580 debye > -1902.24824542 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 43.1654 0.0003 46.9905 0.0019 58.7157 0.0978 66.8515 0.0640 107.8493 0.0448 128.5204 0.1956 164.3392 0.0529 167.0145 2.3864 184.6091 0.0367 186.4138 0.2368 215.4183 0.5950 224.1186 0.0481 248.1540 0.3952 253.8104 2.1162 260.4289 3.2658 280.8874 0.1071 283.9746 0.3732 288.8688 0.3289 299.4499 3.7191 303.4033 0.1841 312.7083 0.8533 312.8458 0.6320 316.3674 0.0585 322.6304 2.1035 328.4888 0.1993 335.8179 0.3488 383.0887 0.7951 405.1209 2.1397 408.2481 2.3260 475.1293 15.1953 512.6780 3.5755 530.9594 5.5000 539.3545 4.6130 544.2972 0.4170 563.4248 29.2460 592.0597 0.7297 619.8037 3.5433 634.8359 0.5289 636.3207 16.7952 682.8456 110.7192 685.7492 1.3140 736.4122 19.8131 830.6446 54.9687 848.8891 5.6095 924.7150 190.7219 1031.2178 29.1996 1038.9084 89.6142 1141.0332 4.2577 1160.3176 13.9825 1175.1484 19.2475 1183.8001 21.5950 1195.3679 61.7369 1198.6882 70.5456 1202.0199 17.8861 1219.9862 33.7852 1229.7966 62.8042 1239.0294 252.4291 1240.5879 164.7586 1256.8677 30.0304 1261.3188 25.2164 1286.1148 16.1319 1297.4348 541.7415 1307.9664 1.0387 1326.2957 562.5753 1342.6542 259.6436 1362.1150 9.9314 > 0.37462 GHz 0.24974 GHz 0.19500 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$