NIST 07161410103D 1 1.00000 -834.44169 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 22 21 0 0 0 0 0 0 0 0999 V2000 -0.3371 -1.5294 0.6852 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3757 -1.2663 1.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3432 -2.0890 -0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4338 0.2385 2.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 0.8751 1.1582 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4716 1.5274 0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3777 1.6444 -1.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6799 2.2073 -2.2005 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5378 -2.0892 -1.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4662 -2.5211 -0.3084 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 -2.5752 -1.3410 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -0.8169 -2.0446 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0303 -2.8130 -2.5516 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1883 -1.7674 2.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3774 -1.6916 1.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5815 0.6554 2.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9135 0.4119 3.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4225 0.9497 -0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1444 2.5254 0.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2173 2.3119 -0.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 0.6544 -1.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0732 1.5273 -2.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 9 1 0 0 0 0 3 10 2 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 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. > 2014-07-16 > U351923 > B3LYP/6-31G* > 3.5165 debye > -834.441692566 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 14.8316 0.3888 35.9833 1.5562 41.3630 0.6464 50.6915 0.3988 92.1800 0.2383 99.5022 5.0586 159.6079 3.5387 178.3807 0.6075 221.4190 7.8487 252.7388 3.2792 296.5767 3.3711 337.7488 12.8157 358.6523 4.3204 380.5601 110.3951 402.7221 1.5564 417.8475 2.7624 458.5618 14.5578 509.3333 0.4676 524.6019 11.9778 579.6805 1.7684 725.7076 18.9423 767.1868 20.8286 819.4423 5.3864 844.4695 11.0413 875.4758 5.8478 902.1258 21.8818 1001.3218 22.3840 1032.9703 2.8469 1065.3927 39.1936 1086.3494 75.6926 1108.0583 2.1368 1143.6668 147.8422 1153.3758 103.5040 1181.5126 283.5217 1203.8863 369.4541 1234.0615 11.9243 1276.1025 312.9014 1301.2344 6.5866 1316.3763 33.6305 1325.6543 1.2935 1368.4760 34.1201 1372.3792 23.9663 1414.9000 67.7197 1424.3961 7.7418 1430.0903 2.9615 1461.8710 1.9799 1515.5840 9.3213 1519.6944 0.7806 1538.3162 0.0474 1558.8684 3.8113 1866.2414 227.0236 3018.7182 12.3930 3029.8532 41.7048 3035.3381 84.0520 3070.8374 20.7686 3078.2751 25.2185 3096.8668 36.5188 3120.2931 48.1965 3169.9649 5.3098 3745.3108 17.5403 > 0.92077 GHz 0.61323 GHz 0.44220 GHz > Gaussian 09, Revision D.01 > Sarah Pan $$$$