NIST 06181515143D 1 1.00000 -708.83351 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 7.3117 -0.0136 -0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9709 -5.0817 2.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0538 -3.8564 2.6525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0776 -3.0060 1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1543 -1.7803 1.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2114 -0.9336 0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7664 0.2778 0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2056 -0.2985 -0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4264 0.5713 0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7484 -0.1269 -0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9933 0.6909 0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5593 0.8027 0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2982 1.0599 -1.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7128 1.1686 1.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 1.7502 1.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1036 2.2892 -1.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8765 0.0933 -0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1177 0.9159 0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3504 -0.9836 0.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3283 -0.2444 -1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9317 -5.6675 3.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0148 -4.7865 2.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6827 -5.7439 1.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0227 -4.1822 2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3443 -3.2318 3.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1091 -2.6771 1.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7918 -3.6324 0.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8716 -2.1231 1.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4366 -1.1699 2.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2419 -0.5720 0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0291 -1.5929 -0.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3001 -1.2199 0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2887 -0.6171 -1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4243 0.7978 1.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3876 1.5390 -0.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7662 -0.3496 -1.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7912 -1.1012 0.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9747 0.9174 1.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9551 1.6628 -0.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5245 1.7709 -0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5422 1.0377 1.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7442 1.3680 -1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2705 0.3482 -2.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0937 0.5879 2.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4156 2.0012 1.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5803 2.3350 2.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0457 2.4197 0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4093 0.9708 1.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6034 2.7827 -2.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1116 2.0242 -2.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2001 3.0313 -0.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9124 -0.8727 0.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8933 -0.1430 -1.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0406 0.3831 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1269 1.8741 -0.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1485 1.1371 1.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 9 10 1 0 5 6 1 0 10 11 1 0 1 11 1 0 3 4 1 0 1 12 1 0 6 7 1 0 7 13 1 0 2 3 1 0 7 14 1 0 7 8 1 0 14 15 1 0 4 5 1 0 13 16 1 0 8 9 1 0 12 17 1 0 17 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 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 12 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 14 44 1 0 14 45 1 0 15 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 > R415819 > B3LYP/6-31G* > 0.0482 debye > -708.833506856 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 21.1160 0.0000 34.7923 0.0011 40.2438 0.0010 48.3094 0.0026 62.9166 0.0077 67.8808 0.0024 80.2191 0.0040 88.4316 0.0044 99.6311 0.0117 115.8969 0.0036 119.1193 0.0015 129.6967 0.0101 153.2573 0.0149 154.7102 0.0018 162.6451 0.0035 169.8483 0.0107 173.5653 0.0693 191.3014 0.0099 221.1641 0.0029 251.2410 0.0015 251.5137 0.0006 254.5911 0.0515 261.2631 0.0077 284.3017 0.0523 292.7985 0.0332 319.6155 0.0784 336.6919 0.0850 359.5875 0.2195 374.9546 0.4195 413.6315 0.1238 441.6962 0.1088 476.6407 0.3455 495.7326 0.3896 517.9617 0.4869 601.3051 0.9284 711.8933 0.2808 738.6640 5.1006 739.2537 3.0640 740.5508 0.2714 754.6076 0.5584 760.8657 1.3001 784.8523 2.4049 796.6039 0.1402 808.7296 3.8633 850.7826 1.4356 863.8470 0.0168 905.0393 1.1953 905.5425 0.8565 912.2251 4.9641 950.9210 0.4547 964.5647 0.9591 976.1788 1.3743 1002.3742 0.1053 1006.7372 0.5264 1022.9794 0.1229 1029.9784 1.4335 1036.6852 0.5137 1040.8903 0.0583 1049.9721 0.0588 1058.6590 0.0754 1067.4783 0.6859 1068.7966 0.4929 1071.9402 0.1020 1075.9838 0.6302 1077.4426 0.0949 1092.2278 1.0865 1105.3151 1.6731 1133.3433 2.0410 1146.1862 2.0414 1151.2092 0.5064 1196.7194 3.8573 1216.5415 1.2660 1221.8522 0.9890 1236.2400 0.3328 1252.3656 1.1915 1260.3701 2.7769 1278.1398 1.0025 1288.9673 0.9072 1303.6178 1.9608 1314.7006 0.1857 1318.9093 0.0066 1331.5731 0.0746 1338.8827 1.0325 1341.2388 0.0930 1346.4889 0.1514 1348.3224 0.4563 1351.4813 0.0965 1353.6454 0.4926 1358.0393 0.9213 1369.2474 2.9538 1372.2810 6.2581 1386.7296 1.9761 1401.8472 3.8203 1407.3235 1.0932 1417.0944 0.6624 1422.2139 0.2163 1424.2451 0.7745 1427.1729 0.2438 1427.5363 0.9428 1438.4438 3.1487 1441.7197 1.2675 1442.6330 1.2215 1443.0737 1.0620 1505.0027 0.1298 1512.2578 0.8406 1513.2313 0.2033 1515.1043 0.4032 1516.1337 0.1785 1516.9617 0.8018 1520.0900 1.2307 1522.9868 0.8601 1525.0009 0.9542 1528.1584 3.1224 1530.5203 5.6601 1530.5335 5.3275 1531.1990 3.7595 1533.3395 1.7801 1535.1874 1.0658 1537.0667 3.2987 1541.0683 3.9184 1542.7612 1.5278 1543.5525 9.7556 1547.4685 0.8507 1547.7384 2.2775 3009.0380 0.5340 3011.2344 1.0498 3011.4427 0.0424 3012.5820 0.6515 3015.0685 6.0111 3017.7095 8.3879 3020.9968 28.7789 3024.0078 18.9735 3028.1840 11.6542 3028.4740 110.5846 3030.8610 0.3211 3034.0315 63.2259 3034.3290 14.6258 3036.7319 3.9963 3041.2899 22.7711 3041.3533 80.7827 3041.5410 14.9483 3044.3589 0.9565 3046.0847 21.4144 3047.9551 17.4779 3051.0007 28.7881 3051.3139 11.0385 3055.2056 28.7591 3058.9407 14.5764 3059.9928 0.8751 3063.1986 32.9101 3072.8796 99.3689 3078.4610 22.3774 3080.2642 102.5114 3096.6950 103.2816 3106.0460 71.5978 3106.2076 69.5266 3108.5874 23.3371 3110.2556 45.3138 3110.3176 40.9167 3111.5393 52.8063 3120.8833 58.3355 3127.6121 43.0504 > 0.47754 GHz 0.10920 GHz 0.09441 GHz > Gaussian 09, Revision D.01 > Yvonne Niyonzima $$$$