NIST 06261418363D 1 1.00000 -770.74245 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 30 31 0 0 0 0 0 0 0 0999 V2000 1.6029 5.0165 0.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9902 3.9491 1.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1189 4.7360 -1.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8915 2.6369 0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9915 3.4372 -1.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 5.7595 -1.8048 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3741 2.3729 -0.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3572 0.9414 -1.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1239 1.0468 0.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1335 0.6382 -0.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9084 0.1843 0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3062 0.5133 -1.8970 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 0.1898 -0.8448 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3632 0.4721 -1.4731 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0292 0.0705 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 0.9849 -1.9196 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6795 6.0476 0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3809 4.1475 2.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2226 1.8047 1.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6287 3.2749 -2.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8899 2.1139 0.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4775 0.8618 1.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6336 -0.3064 -0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9030 1.3893 -0.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9813 -0.8060 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9552 0.6218 0.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4428 -0.4531 -2.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8738 -0.9692 -1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1184 1.9932 -1.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4301 1.0398 -2.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 3 6 1 0 7 8 1 0 8 12 1 0 8 13 2 0 12 16 1 0 15 16 1 0 15 11 1 0 11 9 1 0 9 10 1 0 10 14 1 0 15 14 1 0 1 2 1 0 2 4 2 0 4 7 1 0 7 5 2 0 5 3 1 0 1 3 2 0 1 17 1 0 2 18 1 0 4 19 1 0 5 20 1 0 9 21 1 0 9 22 1 0 10 23 1 0 10 24 1 0 11 25 1 0 11 26 1 0 12 27 1 0 15 28 1 0 16 29 1 0 16 30 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. > 2014-06-26 > U307162 > B3LYP/6-31G* > 3.1486 debye > -770.742450909 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 20.2230 0.3646 33.2133 0.1619 39.6730 0.0748 62.2906 2.9365 66.6204 1.9556 129.3438 5.5173 169.8168 0.3480 199.5041 0.2954 245.9688 0.9215 252.3628 1.5876 279.4875 1.7730 342.9986 2.4718 384.8216 3.1453 418.2047 4.3655 423.1786 2.7250 447.4286 1.8115 509.0328 2.4288 527.6340 4.7084 588.2609 21.4483 600.1683 0.0861 627.1002 29.5217 674.2374 26.1717 706.7928 17.5885 713.4773 18.0700 727.1769 15.1016 769.8075 97.4141 813.4681 14.1548 814.8746 6.0599 885.7762 2.1683 898.3119 4.6632 898.9902 25.5313 917.3620 2.3515 923.8464 33.4474 935.6615 4.2003 961.0541 6.3413 980.2770 0.4162 1002.3788 8.3374 1005.4411 7.5473 1020.1211 0.3276 1076.1473 16.9311 1099.8440 1.0287 1110.9546 5.8234 1116.4241 151.6607 1152.3960 10.3995 1169.2082 27.0909 1191.2097 3.7287 1208.1242 18.4748 1219.5636 5.8206 1257.8749 41.6755 1275.6204 39.6358 1288.3959 21.2102 1315.4817 16.6539 1326.8819 4.5522 1337.4902 5.3840 1357.4321 24.4555 1364.0225 5.3586 1372.7711 109.0523 1400.1385 98.1534 1414.5388 38.6912 1423.1111 52.8135 1478.0235 35.3538 1499.4462 36.6976 1516.7008 2.4640 1518.3657 2.8463 1531.5391 4.4736 1535.9631 31.8283 1552.9864 0.8468 1646.5791 75.6431 1665.5253 7.6338 1762.8958 313.9144 2995.4151 68.0665 3000.9829 77.9040 3066.5464 35.2433 3068.6362 9.9674 3075.1964 22.8321 3108.5399 37.8602 3117.9777 12.3580 3128.1026 43.7258 3155.7843 12.8514 3201.1747 8.6195 3225.0464 3.5711 3226.5069 0.8462 3229.5854 4.5771 3555.8943 17.7934 > 0.74297 GHz 0.30830 GHz 0.27334 GHz > Gaussian 09, Revision D.01 > Sarah Pan $$$$