NIST 08021414563D 1 1.00000 -415.96902 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 32 31 0 0 0 0 0 0 0 0999 V2000 103.9926 10.0244 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 102.6761 9.2360 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 102.8778 7.7154 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 103.7909 11.5450 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 101.5601 6.9272 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 105.1085 12.3331 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 101.7803 5.4035 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 104.8884 13.8569 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 100.4551 4.6610 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 106.2136 14.5994 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 100.7195 2.4518 0.0002 I 0 0 0 0 0 0 0 0 0 0 0 0 105.9492 16.8086 -0.0002 I 0 0 0 0 0 0 0 0 0 0 0 0 104.5882 9.7368 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 104.5886 9.7366 -0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 102.0804 9.5236 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 102.0800 9.5238 0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 103.4723 7.4267 0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 103.4727 7.4265 -0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 103.1964 11.8336 -0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 103.1960 11.8338 0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 100.9652 7.2117 -0.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 100.9648 7.2119 0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 105.7035 12.0486 0.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 105.7039 12.0484 -0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 102.3670 5.1154 0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 102.3675 5.1152 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 104.3016 14.1449 -0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 104.3012 14.1451 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 99.8588 4.8539 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 99.8584 4.8541 0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 106.8099 14.4065 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 106.8103 14.4063 -0.8914 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 7 9 1 0 8 10 1 0 9 11 1 0 10 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 10 31 1 0 10 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. > 2014-08-02 > 16355-92-3 > B3LYP/GENECP > 0.0000 debye > -415.969020593 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 14.1084 0.8174 22.4039 0.7071 48.0047 0.0000 55.8414 1.5101 59.0370 0.0000 93.5336 0.2410 96.7018 0.0000 100.5073 0.0000 132.0615 2.2109 137.9055 0.2424 138.4781 0.0000 169.6335 0.0000 170.2133 0.0367 210.4772 4.0941 243.0241 0.0000 339.9882 0.0000 365.7371 0.3553 468.8075 18.5474 475.6898 0.0000 586.0541 73.2140 586.9078 0.0000 739.8521 4.2835 740.6151 0.0000 742.2538 9.6734 751.3880 0.0000 779.2817 2.4228 826.0080 0.0000 889.5055 2.7481 957.6761 0.0000 990.6959 0.0000 993.6052 7.7525 1020.7016 3.1373 1027.0799 10.3888 1032.1544 0.0000 1055.0275 0.0000 1067.4785 0.2472 1071.1975 0.0000 1072.5179 1.5055 1072.6016 0.0000 1088.8228 2.3989 1116.3641 0.0000 1211.7634 90.8495 1223.7557 0.0000 1229.1042 0.0000 1258.0459 85.4594 1258.3855 1.1049 1291.8572 0.0000 1296.7645 0.0000 1320.1885 1.6173 1333.7788 46.2427 1336.4995 0.0000 1343.9584 0.0000 1345.7767 0.3490 1356.3441 0.1903 1356.7594 0.0000 1367.7729 0.0000 1394.4872 8.7809 1412.4515 0.0000 1424.0997 1.0081 1427.6550 0.0000 1507.9220 2.4022 1507.9861 0.0000 1514.3908 0.0000 1514.8429 1.1283 1518.3527 1.9334 1518.4727 0.0000 1523.9204 0.0000 1531.9076 1.8738 1539.3789 0.0000 1544.7430 5.9802 3014.9330 0.0000 3016.1409 0.8182 3019.8654 0.0000 3021.3170 1.3799 3027.0604 0.0000 3031.8743 151.5646 3036.0377 0.0000 3040.9948 0.7381 3047.2602 0.0000 3056.6662 1.9581 3058.5880 0.0373 3058.6587 49.8864 3069.6263 0.0000 3079.3110 124.8402 3101.3345 0.0011 3101.6007 92.3299 3130.6535 20.7996 3130.6578 6.9365 3197.9911 0.0269 3197.9985 17.5028 > 5.91351 GHz 0.03027 GHz 0.03017 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$