NIST 06181515143D 1 1.00000 -708.84098 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 56 55 0 0 0 0 0 0 0 0999 V2000 0.4116 1.0280 0.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3098 2.2720 0.6916 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8165 3.5380 -0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 4.6164 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3605 5.1522 1.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4444 6.2356 1.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8993 6.7741 2.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9727 7.8659 2.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4360 8.3993 3.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 4.0522 0.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5731 3.1894 -1.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5047 9.4953 3.7767 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9734 10.0267 5.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0403 11.1243 5.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5127 11.6551 6.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0803 5.3544 0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5793 12.7528 6.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0463 13.2761 7.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 0.2131 1.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5809 1.2145 1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2739 0.6633 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2992 2.0032 0.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4697 2.5326 1.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6282 5.4676 -0.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8247 4.1977 -0.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7356 4.3331 1.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 5.5677 1.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0701 7.0690 0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3142 5.8311 0.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2835 5.9424 3.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0287 7.1705 3.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5856 8.7002 1.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8405 7.4719 1.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8276 7.5659 4.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5679 8.7897 4.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 4.1788 1.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2585 3.2673 0.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4579 2.7096 -1.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3629 4.0859 -2.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2738 2.5056 -1.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1114 10.3299 3.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3710 9.1059 3.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3689 9.1927 5.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1074 10.4149 5.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6439 11.9588 4.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9053 10.7364 4.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9103 10.8214 6.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6486 12.0436 6.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 5.5974 0.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2948 5.2767 -1.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4061 6.2059 0.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1821 13.5868 5.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4429 12.3650 5.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8081 14.0566 7.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4793 12.4710 8.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2108 13.7038 8.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 3 10 1 0 2 3 1 0 3 11 1 0 5 6 1 0 9 12 1 0 1 2 1 0 12 13 1 0 6 7 1 0 13 14 1 0 3 4 1 0 14 15 1 0 7 8 1 0 10 16 1 0 15 17 1 0 8 9 1 0 17 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 15 47 1 0 15 48 1 0 16 49 1 0 16 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 18 54 1 0 18 55 1 0 18 56 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. > 2015-06-18 > R415359 > B3LYP/6-31G* > 0.0388 debye > -708.840977435 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 15.1522 0.0006 21.2900 0.0005 37.1983 0.0015 50.6854 0.0004 61.9540 0.0036 65.7069 0.0006 74.8585 0.0038 88.9225 0.0099 101.7852 0.0053 109.5977 0.0000 116.2318 0.0025 129.9812 0.0019 142.9338 0.0006 149.4889 0.0027 154.0212 0.0015 169.4410 0.0002 174.5865 0.0002 192.9754 0.0074 212.5268 0.0382 236.1525 0.0599 258.0245 0.0010 260.7660 0.0244 276.0411 0.0167 290.0637 0.1536 297.0915 0.0139 310.8837 0.0495 353.0186 0.0508 364.3183 0.0722 393.7825 0.0695 409.7827 0.0681 458.1639 0.0831 466.3209 0.5164 503.3031 0.2867 516.5520 0.2544 561.8529 0.7823 708.1227 0.3488 738.3639 2.4534 741.5719 5.7857 742.1866 0.7056 749.9787 0.1257 768.6066 0.7278 791.3251 2.3711 794.6144 2.0594 806.6918 0.9469 845.2834 0.1727 879.8976 0.7676 905.1528 1.5063 916.5653 0.2020 929.2069 0.5555 966.9095 0.5618 969.2411 1.7987 992.2825 0.0141 1000.2456 0.6202 1016.3370 0.4935 1021.8043 2.8576 1028.5281 0.2425 1033.7754 1.2486 1041.8365 0.0470 1054.9130 0.1450 1055.8690 0.5758 1061.7245 0.3915 1068.0241 0.2252 1071.6910 0.0843 1074.2916 0.0047 1075.1811 0.1033 1083.3891 0.5221 1087.9783 0.9896 1112.9115 2.1923 1135.9909 0.7996 1150.4261 1.5144 1210.8326 1.1189 1222.2043 1.9607 1227.4829 2.2471 1238.7640 1.4956 1244.5991 4.7715 1256.8335 1.4778 1270.8042 0.2221 1281.6683 0.3805 1301.0347 1.0591 1308.6171 0.3443 1327.3488 0.7978 1330.5503 0.0116 1336.8824 2.0277 1339.5654 0.2851 1344.5793 0.3964 1347.6762 0.4163 1352.7010 0.0451 1356.5770 1.0252 1359.5168 0.0322 1360.5493 1.4518 1366.4343 0.5780 1390.4888 0.3395 1391.6616 1.3894 1395.6773 1.5937 1411.4276 0.2647 1421.0172 0.3877 1424.4990 0.7771 1427.0122 0.1390 1428.0805 0.1798 1437.7227 3.3738 1442.7065 1.0117 1443.3642 3.2444 1447.0469 4.0437 1508.7862 0.7314 1512.7694 0.0528 1513.4452 0.0186 1514.3246 0.4372 1515.2946 1.0706 1516.0861 0.1584 1517.0097 0.4435 1518.0505 0.2494 1521.8052 0.3539 1527.3195 0.1369 1529.6767 3.3443 1531.2779 5.9627 1532.4079 6.5689 1534.1198 4.4650 1537.6639 3.3724 1538.8210 3.8370 1539.7695 3.7404 1542.4276 0.6074 1544.9765 0.2984 1545.5776 0.7912 1547.0580 4.7463 3010.1616 0.3403 3010.4712 0.2779 3011.4496 0.1140 3012.3659 0.4573 3013.4778 1.5748 3015.1741 1.7098 3016.4449 9.9607 3020.9424 1.1327 3023.5195 33.0296 3025.7781 29.7840 3029.1249 137.3740 3030.5203 18.0774 3030.7473 41.1792 3031.3258 19.1538 3033.4635 1.5730 3036.9028 66.0965 3037.9877 6.0737 3041.4292 43.9347 3043.4392 13.6201 3044.0238 9.8518 3047.0245 3.9018 3051.9464 46.7443 3052.5962 6.3063 3054.1385 7.6667 3061.8069 0.7799 3064.5971 16.7615 3069.6037 30.5084 3070.4060 22.9282 3076.6944 115.3222 3081.8022 203.2654 3104.3225 37.7369 3106.1902 69.9819 3109.6191 39.7815 3110.1925 45.8994 3111.6963 27.7354 3116.5195 72.7365 3121.9014 68.2326 3124.7865 23.3628 > 1.41344 GHz 0.06233 GHz 0.06164 GHz > Gaussian 09, Revision D.01 > Yvonne Niyonzima $$$$