NIST 06111513253D 1 1.00000 -1090.66104 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 48 50 0 0 0 0 0 0 0 0999 V2000 -6.2853 3.8582 -1.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9278 5.0990 -1.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8990 6.0388 -1.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2513 5.7617 -1.7604 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6224 4.5347 -1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6508 3.5940 -0.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2808 0.6062 -0.3744 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2665 1.2250 0.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 2.1060 0.3126 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1395 1.9887 -1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2736 1.1035 -1.5167 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1093 2.6683 -1.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2523 2.8547 -0.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3831 2.0555 0.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4218 1.1122 0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2937 0.9411 -0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1291 1.7283 -1.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4151 -0.0365 0.3929 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3311 -0.4121 -0.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8697 -1.8029 0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 -1.6642 1.3264 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1185 -2.7186 -0.9257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0251 -4.1043 -0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9485 -2.8768 -2.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2836 -2.1848 -1.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8772 5.3381 -1.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5972 6.9943 -2.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0083 6.4949 -2.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6725 4.3041 -1.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9536 2.6316 -0.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0383 1.0101 1.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7649 2.5745 -1.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9834 3.2566 -2.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2414 2.1918 1.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5228 0.4995 1.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 1.6347 -1.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6322 -0.4620 -1.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8048 -2.3102 0.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7313 -1.3935 1.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5809 -4.7850 -0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5539 -4.0340 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9569 -4.5525 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5262 -3.6772 -2.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9523 -1.9678 -2.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9889 -3.1470 -1.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9349 -2.1031 -0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7791 -2.8842 -1.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2448 -1.2081 -1.7763 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 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 11 1 0 0 0 0 8 7 1 0 0 0 0 8 31 1 0 0 0 0 9 8 2 0 0 0 0 10 9 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 12 33 1 0 0 0 0 13 1 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 18 1 0 0 0 0 16 17 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 7 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 6 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 6 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 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. > 2015-06-11 > R566026 > B3LYP/6-31G* > 2.4062 debye > -1090.66104235 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 21.0481 0.3833 32.6779 0.0598 33.9951 0.0595 54.0348 0.2013 65.1333 0.8429 69.1728 0.7301 80.5654 0.0276 88.3211 4.8607 113.1527 1.9211 122.1006 0.0381 172.0775 0.6387 175.8932 0.3998 216.3669 0.8809 238.6701 1.1776 240.7621 4.9813 255.4262 0.7655 274.6681 0.6196 286.4456 0.5817 297.8635 0.2478 302.3821 4.0257 319.6078 1.8957 334.7686 2.9186 355.5094 106.7872 366.2916 24.7369 380.0621 65.6301 393.3857 0.3160 418.2670 0.4789 422.4768 0.3762 429.3268 0.6460 454.7187 1.9086 517.4466 7.0525 533.8150 8.6897 558.8168 2.6407 566.9373 2.3718 600.1811 12.6568 633.1142 0.3806 645.6114 7.8064 654.7981 1.8187 693.3973 21.2736 710.5500 24.1084 714.7031 22.9671 722.8992 19.3706 728.7634 4.3998 775.7703 8.9037 778.8904 37.8240 821.2261 16.8372 842.2028 0.1765 853.6349 16.5372 859.1062 45.6568 861.1446 4.9395 864.3212 5.7286 898.8938 4.7080 910.9902 62.5741 928.0272 1.0248 948.6401 1.7824 952.9202 0.7191 963.5561 7.3497 965.7344 0.1710 969.5692 0.0285 971.2437 13.9428 980.0984 0.1971 994.8386 0.1193 1000.1674 10.6504 1016.9310 0.9573 1022.0511 10.6722 1037.6879 21.3920 1045.7231 6.0490 1055.1131 24.1931 1057.1405 36.4887 1070.5763 2.3056 1088.3855 163.7372 1112.1498 67.1700 1113.9298 3.6317 1150.9322 7.3955 1165.8630 45.1262 1193.3346 0.0842 1213.4102 51.4567 1214.6579 16.6338 1219.5150 62.6606 1226.8392 22.1135 1230.5601 2.3501 1251.6511 9.0647 1266.2631 384.3764 1282.3501 15.9480 1309.7118 13.9541 1311.8103 4.2516 1317.8274 19.3432 1321.8276 40.9794 1343.0716 7.9501 1347.4230 14.0119 1355.6109 1.5921 1369.9225 1.1862 1377.3859 10.6221 1403.1932 33.5395 1408.7584 31.5514 1428.8589 7.5215 1432.0537 7.9355 1443.9151 18.2213 1458.1064 2.2439 1465.8002 8.4456 1469.7391 20.4757 1497.6254 3.3145 1514.3520 1.1200 1519.3058 0.7270 1523.7213 1.3887 1539.2886 65.9821 1539.9415 48.6060 1545.7606 8.5315 1553.6060 23.9220 1555.3579 55.9958 1566.4449 82.4544 1623.0317 6.5879 1640.6148 6.0758 1661.8879 30.4805 1669.5940 45.4374 3039.6418 33.8709 3043.3118 12.5722 3050.8619 21.7235 3086.9683 11.8421 3098.7600 24.7218 3107.8315 1.7941 3112.9798 41.5354 3114.3524 65.5170 3128.3852 4.6357 3138.0483 21.8796 3140.0676 9.2502 3180.0178 6.2614 3186.0237 2.5532 3195.1494 28.4829 3198.2713 4.6572 3200.2176 0.7259 3203.4225 35.8879 3210.9851 25.0309 3218.3303 6.7308 3228.2835 1.1346 3278.0779 4.9762 3304.4284 2.0210 3734.0269 15.3231 > 0.50381 GHz 0.09153 GHz 0.08502 GHz > Gaussian 09, Revision D.01 > Sarah Wollman $$$$