NIST 07261420493D 1 1.00000 -1319.18765 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 38 40 0 0 0 0 0 0 0 0999 V2000 -2.3226 2.1119 -0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7378 2.0343 1.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6853 2.3908 -0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5118 2.2312 2.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2877 1.7372 1.4094 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4702 2.5911 0.9693 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3078 2.5354 -1.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8629 2.5061 2.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2465 1.6280 2.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.5959 0.2193 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1895 3.8003 -1.9980 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.6262 2.2424 -1.5168 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7194 1.7261 -2.4390 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6157 2.6937 3.3161 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3104 -3.2777 -0.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4153 -2.5951 0.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6154 -2.8513 -1.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3951 -1.4904 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4283 -1.7475 -1.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3263 -1.0494 -0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4829 1.0281 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9715 2.2669 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6165 -0.0321 -0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7437 1.3679 0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2239 0.1060 -0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5939 2.4385 0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7215 1.9460 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0589 2.1668 3.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5311 2.8003 0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9442 -4.1375 -1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1255 -2.9278 1.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7035 -3.3751 -2.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3284 -0.9816 1.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 -1.4098 -2.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5553 0.8853 -0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6385 3.0989 0.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0149 -1.0012 -0.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1692 3.3971 0.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 27 1 0 0 0 0 2 5 1 0 0 0 0 2 4 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 28 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 3 1 0 0 0 0 6 29 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 6 2 0 0 0 0 10 24 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 30 1 0 0 0 0 16 18 2 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 17 1 0 0 0 0 19 34 1 0 0 0 0 20 25 1 0 0 0 0 20 19 2 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 26 2 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 2 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 26 38 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. > 2014-07-26 > U357346 > B3LYP/6-31G* > 1.3910 debye > -1319.18765247 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 11.7347 0.0013 21.6478 0.0482 24.4321 0.0208 41.9682 0.0935 50.9700 0.4679 63.1601 0.5692 88.7770 0.4776 97.7032 0.2164 113.1012 1.5090 123.7407 2.4778 175.9045 0.7331 190.5870 0.2336 203.5687 0.3553 245.4195 2.0029 248.6707 0.4252 273.9393 1.8892 303.9582 1.7882 310.5686 1.2488 333.7892 0.3311 350.4594 1.1937 365.7657 0.3625 419.7846 0.0683 424.4034 6.7240 446.0714 1.4529 491.4389 1.2474 496.7416 1.0222 507.5402 2.4615 531.1947 2.9573 542.6500 6.2150 554.1781 4.7380 567.6409 6.1242 590.4292 1.9974 616.1903 1.4952 628.2084 4.7464 631.7971 0.2422 635.1009 0.8496 694.8241 23.0140 702.3770 4.2683 718.6625 22.7225 732.8146 11.4052 738.3772 6.8447 761.1658 47.2233 764.8693 26.0625 787.0336 10.0351 802.2822 16.7944 847.9758 17.6879 869.0769 0.5719 881.3331 6.9495 895.9061 35.7965 907.9488 9.8380 929.4859 2.9000 931.2627 0.4850 939.2153 5.4767 952.4240 2.6606 975.6848 135.5661 978.9090 5.9419 984.3750 0.0713 1002.8693 0.8975 1018.0017 1.1160 1020.6033 0.8556 1028.0431 8.5944 1065.1770 0.4008 1076.9227 11.1490 1110.7332 1.6782 1113.1339 28.2614 1121.1020 16.8028 1142.5344 31.8901 1193.0535 241.5572 1193.7465 1.7588 1194.0635 2.3623 1216.6829 1.3044 1217.6767 147.9075 1221.3572 97.3876 1238.8469 490.4968 1265.5746 413.5913 1285.6071 26.8333 1288.0141 66.8568 1312.5271 2.4211 1339.0943 0.6717 1346.3101 1.2888 1368.6415 0.1788 1377.3147 12.8883 1386.0593 363.5446 1480.6931 25.4165 1493.0550 105.2663 1500.6662 7.1279 1506.0266 16.5793 1529.4366 38.2409 1553.2236 7.1370 1627.7253 1.2451 1640.4870 4.0592 1661.7958 43.1181 1662.3660 3.9543 1663.8998 2.5747 1668.7284 2.0550 1814.6533 194.8649 3182.0292 1.9090 3188.9850 3.1145 3191.4380 1.2282 3198.3498 21.9352 3202.5659 4.9286 3206.1246 26.7498 3212.1664 27.9346 3212.9184 12.7268 3222.3632 9.8226 3243.3820 0.3364 3245.4297 4.3227 3258.7817 0.7116 > 0.27815 GHz 0.11900 GHz 0.10610 GHz > Gaussian 09, Revision D.01 > Sarah Pan $$$$