NIST 06261509073D 1 1.00000 -1238.39070 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. 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All rights reserved. > 2015-06-26 > U356790 > B3LYP/6-31G* > 5.1711 debye > -1238.39069634 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 9.1657 0.0771 13.5207 0.0317 23.9197 0.1454 26.0937 0.2102 29.9088 1.2570 39.1535 0.2179 47.0430 1.6182 56.7156 0.2107 61.1533 0.4275 68.2680 0.0149 71.9850 0.0056 74.7798 0.0098 82.9441 0.1766 90.2894 1.1737 99.5072 0.1432 108.4728 0.5921 110.8665 0.3435 120.0728 0.1201 132.6691 0.9395 151.7734 0.4279 156.1508 0.5461 160.2646 0.3002 181.7737 0.0594 183.7340 0.6472 186.7050 2.6298 197.4603 0.8800 216.7419 2.8893 246.9302 1.0530 247.1274 0.0577 250.8296 0.9650 256.3977 0.2572 260.9852 1.3795 299.1690 3.6511 313.0018 0.3845 330.5675 5.1304 334.2781 10.4386 348.0879 3.2812 378.9281 1.5493 418.6947 1.3896 433.4461 2.4798 466.7433 4.1577 477.1357 8.3558 490.1780 0.7826 504.2390 5.0332 521.1681 1.9534 554.5028 0.7835 603.8013 1.2367 647.5976 16.4680 687.0015 13.2390 716.1791 23.3717 737.7520 4.7835 741.6852 1.3910 743.5307 16.3301 752.7250 5.6245 755.0481 4.2276 757.8751 0.5363 774.6300 3.5662 784.6260 35.5750 790.7165 0.2557 804.6161 3.5297 843.9306 0.1598 846.0970 6.0290 860.1624 2.4070 881.9092 1.1022 900.4938 1.5592 905.4987 1.9850 912.8856 0.4719 915.8819 8.3772 922.0832 2.9778 955.3613 30.3894 966.7180 3.5547 987.5733 0.0575 997.8830 1.0166 998.2118 6.6976 999.4160 18.8042 1017.0356 3.5513 1035.6558 29.6648 1045.1549 3.1723 1048.9465 9.5194 1053.3994 0.1430 1061.4609 1.6482 1067.5890 1.5507 1071.5727 4.2158 1073.1254 3.2483 1073.6789 0.4952 1082.9783 8.5557 1088.0960 2.9970 1100.5501 161.7658 1104.2749 10.7588 1146.9997 81.2191 1149.5182 63.2141 1158.6328 62.0549 1159.9601 3.1101 1174.8271 82.4822 1198.9740 3.9051 1202.2796 0.5462 1207.4201 8.8624 1230.2479 0.2321 1249.9260 0.3496 1264.2811 5.3454 1266.3496 0.3666 1288.8202 407.9139 1294.2057 5.9367 1295.6552 59.8879 1303.9673 15.9794 1305.8623 363.2930 1312.1042 160.0549 1322.8586 6.7038 1326.8086 86.6454 1332.2601 1.7653 1339.0816 0.3605 1339.6872 0.1554 1344.1985 0.3523 1349.5525 1.6066 1351.3683 1.3588 1354.2735 37.6438 1354.7680 0.2286 1355.1500 6.1966 1381.2535 0.8200 1394.5420 17.2231 1398.8479 3.1731 1412.6199 2.2528 1426.3558 3.2907 1428.1688 0.1514 1429.1950 0.2347 1431.0446 6.1720 1441.7371 1.6694 1442.3309 2.1059 1442.4101 0.7419 1444.8286 9.4201 1487.3233 1.9569 1506.2752 0.8315 1513.3733 0.0480 1513.9038 0.0059 1515.9636 0.8017 1517.3185 0.1964 1519.7318 0.6273 1524.0946 2.7713 1524.3167 0.8852 1525.3724 0.5381 1529.6959 7.0940 1529.8941 7.8730 1530.1967 5.7483 1531.1431 6.4780 1532.2877 2.6386 1538.3083 0.2441 1539.6264 2.3357 1540.2776 2.5509 1543.5322 3.5514 1547.5442 1.0061 1628.8065 16.2551 1654.6533 6.7309 1778.0257 228.9574 1835.5385 321.9580 3010.6016 0.9922 3011.5512 0.0301 3015.3330 3.2214 3017.1792 1.0267 3025.0447 11.5180 3029.5298 136.9606 3029.8292 3.4597 3031.6547 2.2244 3034.1448 1.2229 3035.2336 0.6929 3039.2804 26.4958 3040.0131 12.3446 3040.7067 1.0462 3041.3159 42.7424 3043.4993 59.6147 3045.4526 43.4313 3047.4830 7.1803 3052.2098 7.2712 3054.4928 51.3961 3063.7203 7.1825 3065.1097 1.0866 3071.6678 1.7825 3075.3820 122.6742 3083.3156 5.0234 3089.6199 37.6880 3089.6543 22.4762 3098.3144 7.5595 3105.7026 69.1043 3110.1163 74.3563 3110.5763 46.6051 3111.9681 62.3808 3115.5337 36.3297 3116.5228 54.9695 3119.7239 35.0989 3190.4353 0.4472 3201.4605 9.6919 3212.7575 21.0954 3235.3202 4.4241 > 0.19726 GHz 0.05596 GHz 0.04755 GHz > Gaussian 09, Revision D.01 > Yvonne Niyonzima $$$$