NIST 06151516343D 1 1.00000 -855.62880 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 52 51 0 0 0 0 0 0 0 0999 V2000 35.0571 1.0789 0.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9154 2.0423 0.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0580 -0.1090 -0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9309 -0.7322 -0.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9337 -1.9143 -1.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4463 -9.0434 -0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7363 -7.6737 -0.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5578 -10.0736 -0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 35.6227 -6.6454 -0.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9055 -5.2770 -1.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7876 -4.2539 -0.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0730 -2.8805 -1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 39.1715 -16.0075 0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 39.1678 -14.6990 0.2843 O 0 0 0 0 0 0 0 0 0 0 0 0 40.1412 -16.6803 0.4057 O 0 0 0 0 0 0 0 0 0 0 0 0 37.9459 -16.5469 1.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0549 -13.8322 0.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 38.3754 -12.4698 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 37.2581 -11.4461 0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5784 2.2851 2.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9918 1.3960 0.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 34.1892 3.0045 0.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 33.0198 1.6972 0.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 35.9955 -0.6617 -0.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 32.9912 -0.1836 -0.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 32.9944 -2.2369 -1.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 36.2889 -8.9213 0.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 35.4990 -9.4327 -0.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 36.8933 -7.7964 -1.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 37.6834 -7.2833 -0.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 37.7208 -10.1915 -1.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 38.5038 -9.6906 -0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 35.4689 -6.5194 0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 34.6751 -7.0393 -0.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 36.0603 -5.4024 -2.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 36.8519 -4.8810 -0.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 34.6310 -4.1186 0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 33.8414 -4.6489 -1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 35.2525 -3.0308 -2.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 36.0048 -2.4752 -1.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 37.7395 -15.9914 2.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 37.0540 -16.4756 0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 38.1297 -17.5935 1.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 37.1370 -14.2406 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 37.9022 -13.7507 1.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 39.3179 -12.1103 0.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 38.5510 -12.5953 -1.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 37.0918 -11.3283 1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 36.3133 -11.8290 -0.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7806 3.0294 2.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 33.2476 1.3592 2.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 34.4536 2.6524 2.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 2 20 1 0 3 4 1 0 4 5 2 0 5 12 1 0 6 7 1 0 6 8 1 0 7 9 1 0 8 19 1 0 9 10 1 0 10 11 1 0 11 12 1 0 13 14 1 0 13 15 2 0 13 16 1 0 14 17 1 0 17 18 1 0 18 19 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 4 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 10 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 16 41 1 0 16 42 1 0 16 43 1 0 17 44 1 0 17 45 1 0 18 46 1 0 18 47 1 0 19 48 1 0 19 49 1 0 20 50 1 0 20 51 1 0 20 52 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. > 2015-06-15 > U130883 > B3LYP/6-31G* > 4.5043 debye > -855.628804701 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 9.0890 0.0945 16.8651 4.1112 21.0974 1.0244 27.5353 1.0709 37.3308 0.5150 47.4104 0.0738 52.5693 0.3153 55.0104 0.8410 72.9964 0.8235 84.0335 0.2544 89.3962 0.1478 120.3662 0.4204 123.3863 0.0946 128.1961 0.2252 143.6312 0.8496 158.5551 0.2367 160.1540 0.1944 173.3249 0.0790 175.9230 0.3093 182.7540 0.5868 202.9091 0.6255 222.0830 0.2834 254.8656 0.3913 259.0650 0.7202 298.8491 0.1985 316.9502 0.3094 364.5525 1.0983 405.9897 0.0685 424.8732 1.9176 474.5232 0.3086 486.5337 0.9207 522.3547 17.0273 535.2597 4.1112 559.3386 1.4199 574.9326 5.9983 601.5098 16.3335 650.7966 2.7376 739.9144 4.4920 741.8940 1.4531 751.4217 6.8390 754.8939 35.4143 774.3955 0.0825 803.2402 4.6877 813.7313 0.4520 827.3692 0.5730 831.3455 4.7295 865.0726 0.7045 877.4350 7.1603 925.5320 1.6234 959.8623 6.9754 990.0174 0.7785 992.5661 1.1048 996.3890 1.3059 1002.2020 9.3759 1017.0145 28.8039 1023.8599 3.5883 1029.2459 6.6646 1034.0066 4.8600 1045.9595 4.3177 1051.2838 0.7248 1063.4516 0.8491 1069.4752 5.8189 1070.6527 3.0429 1072.1220 1.1891 1072.8313 1.6954 1087.9252 77.5034 1094.0347 23.9639 1100.1065 3.5827 1134.0093 2.6875 1139.8351 0.3030 1196.0915 0.4907 1203.0680 1.3063 1234.9494 0.0522 1242.1428 0.6471 1267.7363 116.6066 1272.9062 251.7856 1274.8345 153.0984 1288.4438 1.2592 1299.9534 0.5560 1304.9162 3.6772 1306.9168 1.2124 1324.4448 1.6348 1332.6718 0.5211 1337.3427 0.1169 1341.1903 3.3108 1344.4653 0.3217 1348.2761 0.0573 1355.7357 5.0771 1357.0508 9.5792 1358.1774 0.1675 1375.1717 0.8131 1401.1306 0.3580 1415.2906 4.4083 1420.1289 9.2397 1422.0554 44.1501 1428.1857 0.4527 1430.0747 0.7063 1436.1349 0.5977 1444.7996 12.6833 1490.8059 0.8381 1498.5087 15.7151 1511.2966 0.7586 1513.6578 0.0827 1513.8454 2.3585 1515.1514 1.1311 1516.2253 10.8890 1517.2613 0.3213 1519.4808 0.6118 1524.7459 0.1591 1527.9295 4.6292 1531.3320 1.2428 1537.3896 4.1089 1538.0877 0.4314 1543.9820 3.2070 1548.0553 3.2936 1680.3597 10.4789 1728.6482 0.0395 1853.6691 360.7804 3008.1289 18.4909 3011.1978 2.0338 3012.5074 0.4724 3014.1247 6.1048 3015.5796 1.1552 3018.8952 35.4456 3020.1564 1.5384 3026.3629 2.2497 3028.9146 0.3527 3030.1303 198.6900 3032.7294 8.9900 3035.1805 4.2971 3039.4951 3.1207 3046.5934 42.8198 3047.7639 3.8223 3053.3531 41.4944 3059.8245 4.9856 3063.9303 7.2752 3067.4041 13.5723 3070.2705 6.3332 3077.5075 131.2018 3089.6158 6.0712 3091.0515 56.5490 3101.5352 79.7748 3114.3445 38.7810 3121.5912 39.4877 3123.5646 12.9009 3138.0990 30.5582 3138.5733 10.7739 3170.2552 0.3291 3177.8070 60.8294 3183.1804 8.1395 > 1.28191 GHz 0.04016 GHz 0.03971 GHz > Gaussian 09, Revision D.01 > Sarah Wollman $$$$