NIST 07071514433D 1 1.00000 -551.59328 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 44 43 0 0 0 0 0 0 0 0999 V2000 -0.1553 -0.0168 0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2644 0.5847 0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1276 2.1309 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4238 2.9548 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1634 4.4681 0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4466 5.3090 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 6.8218 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4758 7.6604 -0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2224 9.1736 -0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5077 10.0111 -0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2560 11.5245 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5454 12.3521 -0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9905 0.1021 -1.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0265 0.0938 1.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 -1.1132 0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7072 0.2955 0.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 0.3026 -0.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 2.4174 0.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5204 2.4234 -0.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0243 2.7018 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0407 2.6996 0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 4.7313 0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5487 4.7336 -0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0474 5.0444 -0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 5.0438 0.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 7.0870 0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5783 7.0876 -0.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0770 7.3943 -0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0881 7.3945 0.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6210 9.4399 0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6107 9.4398 -0.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1098 9.7455 -0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 9.7456 0.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6552 11.7905 0.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6454 11.7906 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3323 13.4272 -0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1514 12.1339 -0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1615 12.1335 0.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0176 -0.9939 -1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0264 0.4569 -1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4801 0.4547 -2.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5433 0.4413 2.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0536 -1.0024 1.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0636 0.4473 1.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 7 8 1 0 8 9 1 0 4 5 1 0 9 10 1 0 2 3 1 0 10 11 1 0 5 6 1 0 11 12 1 0 1 2 1 0 2 13 1 0 6 7 1 0 2 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 10 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 12 38 1 0 13 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 14 44 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. > 2015-07-07 > R415037 > B3LYP/6-31G* > 0.0332 debye > -551.593281357 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 26.4102 0.0009 39.0949 0.0004 39.1344 0.0002 61.1963 0.0003 76.3959 0.0070 96.8903 0.0021 104.7892 0.0005 120.4116 0.0026 144.2376 0.0090 159.5882 0.0108 160.9729 0.0011 172.0520 0.0012 185.2760 0.0054 233.6642 0.0010 253.8642 0.0014 261.2797 0.0826 266.8181 0.0292 280.7715 0.0001 323.6122 0.1493 337.2642 0.0168 342.3266 0.0059 390.5206 0.0235 418.1341 0.0323 442.3954 0.0361 462.4673 0.1867 504.0604 0.0056 525.7650 0.3995 738.3041 5.6363 738.8625 0.2154 745.1916 1.4828 750.6102 0.2610 764.7055 0.0051 803.5525 0.6387 859.2220 0.0175 905.7122 1.6966 916.9076 1.3867 921.2395 0.4490 943.8203 0.4760 944.5525 0.0889 969.3889 0.0124 986.2744 0.1557 996.0855 0.1348 1010.2672 0.2186 1027.8161 0.3278 1033.9864 0.0075 1051.1751 0.0377 1062.2372 0.1007 1066.0459 0.1199 1070.6748 0.0684 1075.7437 0.0085 1077.6191 0.1622 1099.9724 0.9434 1135.9460 0.1527 1149.7984 1.9267 1224.8345 0.0230 1227.1093 4.9160 1250.2431 0.6100 1253.4148 0.4740 1276.1540 0.8055 1282.5627 14.3163 1290.8040 1.4133 1304.8240 0.2554 1325.4180 0.2159 1331.3011 0.5694 1341.4194 0.0085 1347.4293 0.0574 1352.3353 0.1784 1356.0688 0.1042 1360.5193 1.9766 1367.8699 1.4322 1391.5148 0.0987 1415.2648 0.8432 1423.6030 2.9375 1428.1016 2.4816 1428.2541 6.3439 1428.9765 0.0296 1430.7508 0.4318 1444.8667 1.0448 1458.7684 3.8831 1507.7804 0.5031 1512.0274 0.0158 1513.1390 0.0075 1513.4825 0.1311 1516.6963 0.0031 1517.0999 0.1775 1518.6557 0.5371 1519.5698 0.1577 1522.6544 0.1934 1529.5686 0.4341 1531.6350 5.7287 1536.2700 0.1811 1538.8182 3.3458 1539.5589 4.1775 1541.9653 0.9256 1545.2668 3.0614 1548.8033 13.1738 3007.2652 11.0816 3010.1994 0.1231 3010.4347 0.4453 3013.1028 5.9297 3013.7171 3.9100 3017.7633 1.4666 3024.0433 27.9845 3028.9975 129.7153 3030.7290 0.0334 3031.7507 0.1187 3032.5620 9.2427 3035.6175 23.1474 3035.7252 106.0865 3036.5463 19.6877 3038.1213 2.2821 3041.5435 44.1988 3044.2240 0.3638 3045.1280 15.5641 3054.4778 0.2761 3065.0230 1.7219 3074.2366 62.1170 3081.1300 191.1357 3097.7944 0.4031 3097.8557 0.9909 3102.4193 64.3108 3105.9952 97.8627 3106.1054 70.9620 3110.3514 45.4648 3110.4651 4.0627 3115.0845 77.5142 > 2.96255 GHz 0.11574 GHz 0.11501 GHz > Gaussian 09, Revision D.01 > Yvonne Niyonzima $$$$