NIST 06081522283D 1 1.00000 -586.04074 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 39 40 0 0 0 0 0 0 0 0999 V2000 3.2396 -0.2488 -0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0024 -1.1230 0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -0.2100 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7216 1.1634 0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 1.1822 0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5725 2.4013 0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 3.4465 1.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1088 3.3248 1.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 3.2783 1.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5653 2.4231 0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 -0.5338 0.8606 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0255 2.1767 -0.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0623 4.7039 1.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6419 4.8871 2.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8727 5.9625 0.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0946 -0.4927 0.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5905 -0.3944 -1.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9715 -2.0450 -0.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0176 -1.4149 1.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 -0.3139 -1.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3539 2.4546 -0.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9878 2.3887 2.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1012 4.1330 2.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2165 2.8899 2.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8443 4.2918 1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1024 3.0482 -0.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2641 0.1404 0.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7707 -1.5601 0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1461 -0.4363 1.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5639 3.1279 -0.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0985 1.6673 -1.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5522 1.5651 0.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7231 4.5846 0.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2951 5.7679 2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2553 4.0135 2.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0789 5.0326 3.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2258 6.8480 0.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3338 5.8604 -0.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6719 6.1518 1.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 6 5 1 0 7 6 2 0 8 7 1 0 9 8 1 0 4 10 1 0 10 9 1 0 1 4 1 0 3 11 1 0 2 1 1 0 10 12 1 0 3 2 1 0 7 13 1 0 5 3 1 0 13 14 1 0 4 5 2 0 13 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 6 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 15 39 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. > 2015-06-08 > R320706 > B3LYP/6-31G* > 0.2850 debye > -586.040740174 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 54.0750 0.0644 67.6506 0.0211 79.4297 0.0137 107.0197 0.4382 131.3984 0.1619 151.7881 0.0336 182.1787 0.1294 212.9126 0.2324 222.7684 0.0980 239.4363 0.1324 240.1544 0.1324 251.7121 0.0074 263.6443 0.0259 284.5292 1.1514 296.6833 0.6537 329.9222 0.5781 351.9543 0.6981 382.4741 0.1070 415.0633 1.1825 440.2364 0.3289 455.2944 0.6457 516.4114 4.2305 561.2330 1.2820 580.6088 1.8535 611.8946 0.8031 642.7014 0.3417 685.8523 2.1508 733.8432 0.7503 771.6619 2.6039 822.2451 0.5443 848.1285 0.1948 885.1232 1.4004 892.2035 5.8603 918.3966 0.6773 926.0945 1.0531 936.3581 4.4032 942.0301 2.6125 969.9014 0.0233 975.4227 0.1192 984.5551 0.1510 996.6489 1.1605 1023.6224 1.9913 1057.4119 0.9399 1070.2393 4.3681 1078.7958 10.2184 1102.1345 0.4417 1114.2044 1.0899 1124.3104 1.1222 1129.2772 1.7547 1136.6567 0.8826 1180.4026 0.4786 1184.1280 2.4884 1205.1852 4.1600 1223.2850 1.4819 1241.2508 3.2389 1244.4409 0.3541 1277.7884 0.4403 1296.1258 4.1941 1327.0055 0.9255 1334.0536 6.0205 1341.4917 8.5355 1348.8012 7.5466 1360.4376 2.4951 1361.0271 1.0499 1365.3775 2.9263 1381.5824 2.0284 1386.9351 10.9047 1400.8928 0.8621 1422.7135 4.7981 1427.7637 2.8145 1436.5295 2.5273 1439.4424 2.0346 1444.8320 2.5513 1509.7923 0.7542 1512.2200 1.6956 1517.8436 0.4848 1518.8486 2.1846 1524.7226 1.2514 1525.6933 3.0518 1527.1645 2.0141 1529.1309 4.9350 1531.0683 1.3291 1533.7394 13.5925 1534.2740 4.3306 1539.9640 5.7858 1666.2454 0.6338 1694.8051 5.2605 2970.1716 39.3165 2990.7505 7.8125 3002.2722 47.8514 3017.6822 48.6797 3030.0042 18.5074 3035.2493 8.7368 3039.1150 14.7769 3040.9709 24.8312 3043.4383 18.5315 3045.5129 49.2944 3045.6893 45.5003 3058.5412 31.0558 3060.6244 59.1734 3087.1171 46.5259 3098.0446 32.7043 3103.5849 0.1964 3106.0793 58.3266 3107.9011 36.3903 3109.8168 48.3791 3110.1997 45.5588 3115.3033 31.7810 3116.4859 27.3597 3119.0764 40.7766 3124.7908 50.6986 > 0.81378 GHz 0.44876 GHz 0.32008 GHz > Gaussian 09, Revision D.01 > Yvonne Niyonzima $$$$