NIST 08041415563D 1 1.00000 0.05050 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 32 34 0 0 0 0 0 0 0 0999 V2000 -2.5457 -1.5539 2.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7556 -2.6682 2.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -3.0941 1.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6189 -2.3988 0.3334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4076 -1.2865 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3675 -0.8674 0.9618 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2435 0.1756 0.7186 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2339 3.6750 -1.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5092 3.1154 -1.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 1.9291 -0.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 1.3042 0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5731 1.8589 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2839 3.0317 -0.5224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0512 3.6658 -0.3625 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 1.8868 -1.3648 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1029 3.0481 -0.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2997 3.7250 -0.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4803 3.2219 -0.7526 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 2.0421 -1.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2882 1.3849 -1.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3038 -1.2063 2.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8967 -3.2016 3.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1698 -3.9601 1.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1278 -2.7260 -0.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2769 -0.7483 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9699 4.5924 -1.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2643 3.6052 -2.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8038 1.4763 -0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8223 1.3859 0.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2701 4.6775 0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4391 1.6235 -1.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2882 0.4309 -2.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 7 6 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 7 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 14 13 1 0 0 0 0 15 20 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 16 17 1 0 0 0 0 17 30 1 0 0 0 0 18 17 2 0 0 0 0 19 18 1 0 0 0 0 19 31 1 0 0 0 0 20 19 2 0 0 0 0 20 32 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. > 2014-08-04 > 116659-48-4 > PM6 > 1.6831 debye > 0.505013525984E-01 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 18.4140 0.0794 25.4441 0.4313 35.4439 0.9912 38.6258 0.2461 50.4960 1.0998 92.2193 0.4135 163.7812 0.3243 192.4260 1.2391 195.8120 0.8371 221.0037 1.4245 274.9376 3.5978 309.3169 0.0619 310.9417 3.0629 359.6239 0.3258 364.1187 1.1364 390.7709 17.2735 403.6986 2.6373 448.8670 5.5421 482.6549 16.8822 528.5483 1.6611 542.9772 0.2436 556.9261 0.8609 570.2882 0.1194 593.8853 0.3437 602.8946 4.4556 619.3601 4.1306 639.6133 1.5464 652.0059 5.6968 677.5360 2.0916 729.8090 2.3254 801.6870 122.5349 833.2740 10.8758 839.6705 102.2859 857.8657 63.1708 874.0944 13.2831 878.5765 4.8836 912.3537 7.7469 916.3241 75.4439 922.7639 13.2285 929.1065 10.0928 955.7833 0.2193 971.6922 0.4692 976.4570 27.8111 979.4198 80.6051 985.3958 6.7210 1004.2696 2.9556 1013.8071 17.5867 1049.8461 92.5701 1062.3385 213.7387 1077.2219 12.9306 1112.2964 167.2038 1118.2974 28.4313 1137.8931 9.2020 1151.7118 19.8619 1153.5784 41.8282 1160.4623 57.6108 1174.3348 7.3969 1195.5200 0.6543 1222.8565 22.9075 1237.0424 6.4418 1241.7968 7.0408 1273.4328 56.8330 1283.1981 81.9928 1287.6264 57.4435 1312.3409 91.8115 1332.1270 300.5247 1392.0752 552.5635 1462.0388 47.5501 1472.2487 395.9065 1487.2816 59.5100 1494.0580 93.7191 1502.5000 4.5381 1585.0239 4.1843 1595.9005 102.1707 1631.0630 173.5351 1639.1501 91.8399 1652.3432 76.3140 1661.3767 103.0691 2726.9380 215.6169 2731.0430 145.6970 2741.8881 209.7101 2743.8685 72.7627 2744.3126 47.3875 2748.4604 0.4351 2752.1178 119.6038 2753.6648 282.2634 2759.4726 218.4173 2761.7041 263.7877 2768.0233 200.2798 2769.8065 39.0608 > 0.44692 GHz 0.24539 GHz 0.16868 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$