NIST 06291420423D 1 1.00000 -674.58318 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 24 23 0 0 0 0 0 0 0 0999 V2000 69.9664 10.0495 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 68.6594 9.2438 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 68.8864 7.7265 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 69.7251 11.5615 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 67.5859 6.9128 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 71.3242 12.4675 0.0003 S 0 0 0 0 0 0 0 0 0 0 0 0 67.8204 5.3988 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 70.7041 14.1853 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 70.5649 9.7784 0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 70.5654 9.7782 -0.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 68.0596 9.5213 -0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 68.0592 9.5214 0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 69.4874 7.4494 0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 69.4878 7.4492 -0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 69.1511 11.8566 -0.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 69.1505 11.8568 0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 66.9855 7.1898 -0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 66.9852 7.1900 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 66.8732 4.8476 -0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 68.3881 5.0853 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 68.3884 5.0851 -0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 71.5776 14.8427 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 70.1082 14.3934 -0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 70.1076 14.3936 0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 4 1 0 2 3 1 0 3 5 1 0 4 6 1 0 5 7 1 0 6 8 1 0 1 9 1 0 1 10 1 0 2 11 1 0 2 12 1 0 3 13 1 0 3 14 1 0 4 15 1 0 4 16 1 0 5 17 1 0 5 18 1 0 7 19 1 0 7 20 1 0 7 21 1 0 8 22 1 0 8 23 1 0 8 24 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. > 2014-06-29 > 20291-60-5 > B3LYP/6-31G* > 1.7227 debye > -674.583179869 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 41.0288 0.4376 61.0602 1.4915 74.5885 0.5819 89.8819 0.0486 137.6324 0.1528 151.6215 0.0039 170.6471 0.5259 181.4525 0.5343 234.0723 0.3568 250.4940 0.0034 290.2138 0.0700 430.7259 1.1849 451.2514 0.1861 714.9331 1.7822 741.1052 4.5273 755.5704 0.2285 759.3410 2.3537 804.3368 1.5465 895.8739 0.0054 906.0604 1.1269 983.3356 3.2927 984.6776 1.8835 1006.5037 2.6948 1018.5411 0.0168 1050.1110 4.3229 1063.5181 0.2372 1076.0060 0.7856 1098.3426 0.6031 1143.8787 2.0702 1232.6057 0.0981 1251.7649 18.3524 1285.5304 0.1242 1307.9627 5.3420 1332.1575 0.0080 1347.4093 0.0765 1354.2303 0.4235 1368.9064 13.6530 1390.5612 4.3684 1415.6331 1.0352 1427.8138 0.9009 1442.3306 1.0117 1499.8442 8.0605 1511.5993 10.3535 1515.2200 4.6231 1516.9012 0.2370 1518.2468 0.2136 1525.7674 0.3510 1530.3648 5.8603 1536.3960 0.5679 1544.1085 3.5993 3014.7379 0.1233 3018.2039 5.0715 3028.1249 54.4433 3036.3631 0.2137 3037.0072 1.4974 3042.5568 33.5490 3045.4697 88.1098 3047.9973 0.3319 3053.7533 31.2277 3065.5494 21.6106 3075.6317 25.8022 3096.8106 67.4450 3107.3688 72.0814 3111.9830 43.8686 3129.6160 14.2863 3151.8246 9.0891 > 8.61849 GHz 0.40133 GHz 0.38998 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$