NIST 07061520563D 1 1.00000 -562.53841 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 22 23 0 0 0 0 0 0 0 0999 V2000 6.9426 3.0106 -0.2214 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1814 1.8957 -0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8026 0.6393 -0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8038 2.0642 -0.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2765 0.4671 -0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9453 -0.4714 -0.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9848 0.9398 -0.4801 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8217 -0.5910 0.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1587 1.3222 -0.9728 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5598 -0.3316 -0.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1996 -0.7946 0.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5360 1.1163 -0.9168 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0635 0.0579 -0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3978 3.0697 -0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3876 -1.4618 -0.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9063 1.0599 -0.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1591 -1.2465 1.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7628 2.1458 -1.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9319 -1.2138 -0.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5978 -1.6159 1.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1994 1.7855 -1.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1379 -0.0984 -0.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 14 1 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 7 4 1 0 0 0 0 7 16 1 0 0 0 0 8 11 2 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 10 7 2 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 12 9 1 0 0 0 0 12 21 1 0 0 0 0 13 12 2 0 0 0 0 13 22 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. > 2015-07-06 > 321-60-8 > B3LYP/6-31G* > 1.1415 debye > -562.538405200 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 64.0915 0.1576 87.9884 0.7577 121.2377 0.4812 218.6979 0.1656 269.8625 0.6949 303.1614 0.1197 340.3984 0.6779 417.7573 0.0447 445.5781 1.7542 500.1529 2.4848 521.1099 2.6645 561.2499 2.9002 574.3475 3.9518 625.7396 6.4497 635.9104 0.5904 711.4322 17.6065 722.3462 10.0672 736.7586 1.0009 768.1489 76.1325 785.5280 6.8336 841.3605 12.6985 858.9515 0.3839 871.2451 0.5976 928.5626 2.2857 949.2984 1.6674 968.3276 0.5245 977.8752 0.0464 994.6986 0.0812 1018.0791 0.3845 1027.9827 4.6352 1065.9412 0.0829 1074.3845 4.8176 1113.8921 5.3110 1139.5654 8.1094 1189.7404 0.5576 1194.1727 0.0106 1221.1540 0.9247 1256.6204 24.0107 1287.5799 33.4918 1310.8279 4.6005 1341.4927 0.5126 1348.7956 2.0669 1372.6688 0.4322 1480.8322 24.7664 1506.1702 2.0254 1532.0361 54.7061 1555.6648 11.6697 1627.5888 2.5449 1642.3874 9.2781 1662.8894 5.2003 1667.4405 1.2547 3181.9726 2.6634 3189.5457 5.8379 3192.0189 4.2822 3199.5400 30.4674 3203.4034 3.4130 3209.9077 31.9720 3213.6099 21.0524 3224.3698 8.3839 3228.6919 6.4552 > 1.88608 GHz 0.53013 GHz 0.43310 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$