NIST 07021519313D 1 1.00000 -503.03892 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 27 27 0 0 0 0 0 0 0 0999 V2000 -4.0539 1.0944 1.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3141 1.9665 1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7449 2.5528 -0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9588 1.4475 -1.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7008 0.5755 -1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1911 -0.0209 0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 -0.7400 -0.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1888 -1.0945 0.6085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6995 -1.9216 0.1773 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6742 -0.0576 -0.3296 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 1.1560 -1.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8178 0.6241 2.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2060 1.7475 0.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1387 1.3765 1.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1172 2.7725 2.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6602 3.1463 0.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9689 3.2459 -0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8168 0.8287 -0.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2166 1.8871 -2.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8997 -0.2468 -1.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9306 1.1962 -1.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2720 -1.9053 -0.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8537 -1.5368 1.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1833 -0.6683 0.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 1.4117 -0.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7931 1.0050 -2.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1246 1.9835 -0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 10 11 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 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. > 2015-07-02 > R140 > B3LYP/6-31G* > 4.2234 debye > -503.038923811 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 56.5673 1.1173 100.5359 2.3735 117.0546 7.2738 195.0509 0.1106 200.9070 0.1706 229.5866 0.2832 248.3325 0.4294 273.1981 0.1634 293.2591 0.7469 323.5223 0.2159 374.8447 5.3366 389.6346 1.1693 393.1491 0.7848 466.3247 0.0186 509.8471 1.0454 526.4717 1.3839 629.3415 19.2336 680.8319 0.7392 724.2521 5.4618 799.8944 0.1300 825.6107 2.2901 847.4694 0.8276 867.1366 4.2855 912.3790 0.7133 954.6459 0.6524 991.0342 19.1793 994.6836 2.7776 1002.7401 2.1573 1043.4087 11.1375 1073.4405 56.1774 1092.6754 0.1706 1114.4580 0.0016 1151.1602 136.9690 1170.6035 7.2284 1179.5021 11.2262 1187.2012 1.8755 1212.5737 5.1726 1243.7476 1.0931 1259.7660 200.7349 1307.2807 27.2221 1321.0942 0.9888 1330.7357 0.7573 1370.3100 0.1081 1387.6405 0.6788 1401.2960 1.6350 1403.4880 0.7256 1407.6767 3.2764 1445.9467 13.9429 1503.8226 2.0292 1510.2944 0.1392 1513.9961 2.8384 1518.8497 6.2896 1520.5240 6.1153 1526.9618 4.0807 1533.6754 11.5631 1536.0451 3.8887 1540.3939 6.6926 1547.8038 2.8320 1817.8835 248.5858 3017.3503 23.8716 3041.3555 17.8686 3045.6912 14.6137 3055.1286 44.8882 3057.8474 37.3566 3060.3110 22.5292 3073.1282 48.6208 3075.4995 29.7714 3077.3559 7.3578 3084.2204 36.6873 3102.2599 57.9262 3126.0009 57.3794 3132.5527 32.1863 3148.5684 21.7115 3149.6958 22.6769 3151.9139 26.4926 > 1.61479 GHz 0.85277 GHz 0.73440 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$