NIST 08011502523D 1 1.00000 -1163.37226 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. 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All rights reserved. > 2015-08-01 > U353435 > B3LYP/6-31G* > 3.1100 debye > -1163.37225770 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 7.5325 0.0140 10.9887 0.4377 16.8527 0.2989 20.9806 0.0521 27.6256 0.2058 30.9864 0.3513 34.7786 0.3628 39.0549 0.4556 47.6140 0.0860 55.0293 0.1171 61.4300 0.2457 67.2341 0.0603 72.4870 0.4924 82.9822 0.5528 88.0496 1.9030 98.1913 0.3551 104.1107 1.0112 108.9304 0.2991 113.3436 0.4211 122.6310 0.1403 137.4970 0.0436 141.9870 0.0111 162.9344 0.3636 167.3546 0.2150 168.1174 0.1939 170.9646 0.6085 188.6750 1.3741 208.2000 0.0138 248.7906 0.0996 251.2068 0.7735 284.9228 3.7525 288.6341 2.0797 299.5872 4.8269 316.8694 17.5228 326.2786 5.7471 341.9795 2.1609 361.6967 9.5397 398.9724 6.2220 430.8996 1.2254 432.9278 2.7982 469.7305 11.5789 487.5420 2.4145 504.8765 0.2071 533.4964 0.4840 549.6253 0.3337 588.1718 4.8020 652.1689 8.8010 673.7698 13.7409 738.1448 4.8648 738.8909 0.6758 743.3958 3.7578 746.2055 3.6926 755.7053 0.1375 770.8068 0.3740 776.3048 0.8064 788.5306 2.2729 805.6968 6.1057 814.3134 7.6425 833.4609 1.5944 853.6296 0.3453 881.9543 9.1133 903.0900 3.9646 904.6859 1.4776 913.4339 6.5242 925.3283 8.2775 970.9650 2.4795 984.4066 7.2603 998.3706 8.3928 999.1249 0.4600 1004.2586 12.8551 1017.0561 25.5529 1023.8494 1.4554 1026.1637 32.2130 1030.7488 27.7014 1044.5911 5.8315 1051.9367 4.9268 1056.4872 1.6997 1058.6739 46.7516 1065.4230 13.5886 1065.9093 53.4120 1067.6322 14.3649 1072.5181 1.4914 1074.8932 0.0370 1076.9101 0.4274 1085.3008 38.4850 1095.7022 0.9150 1111.7813 2.9898 1114.2541 0.8510 1152.0906 6.4420 1180.5502 147.2412 1189.1156 0.9078 1207.7146 223.3436 1217.0936 125.7650 1228.9549 22.9214 1236.8786 2.1797 1254.8160 8.4106 1256.2972 11.7176 1269.4239 8.2144 1273.1011 229.3131 1283.8749 3.4137 1293.9759 9.1196 1301.8740 6.9872 1309.3832 87.7599 1312.9151 118.2420 1321.6061 102.1057 1331.5190 9.4053 1332.8064 1.3338 1335.8309 9.9479 1337.6025 11.6381 1337.7588 7.6518 1343.3269 1.9741 1348.5229 0.5501 1349.8881 23.1545 1350.6816 2.9936 1355.2677 4.5396 1355.3731 0.0781 1357.5402 3.4336 1366.8199 2.0068 1394.5355 0.6693 1395.8970 1.4508 1411.0633 34.8763 1416.7210 16.3761 1425.3520 1.3959 1426.8298 1.3731 1428.2003 0.2479 1435.6809 3.1913 1436.8721 0.2424 1441.7197 1.0544 1444.4754 5.5162 1493.1722 4.5549 1502.2040 19.7994 1510.6445 10.4652 1511.8207 2.3563 1512.3938 1.7328 1512.8711 0.0148 1514.0545 4.0369 1515.9701 0.5746 1516.7141 4.0763 1518.7262 1.1564 1521.9175 0.2257 1523.2841 6.4509 1527.0452 5.4445 1527.4581 0.7548 1529.9745 5.6927 1533.4405 0.3073 1536.5856 3.3356 1538.8095 1.2699 1542.9396 0.1685 1545.5034 6.0483 1753.7545 0.3638 1818.4483 166.5479 1824.6412 232.5863 3009.6210 0.2877 3010.2761 0.1844 3012.2095 0.7539 3012.8877 0.2149 3015.5906 1.1926 3016.8322 4.3656 3019.1979 33.5763 3022.1988 0.2894 3026.9653 12.0101 3029.3680 227.5570 3030.6140 6.4590 3031.9678 3.8920 3035.0147 1.6229 3039.3388 0.5243 3041.2200 43.6452 3044.7204 4.1851 3047.1134 35.9275 3048.5487 23.7162 3049.1932 13.1168 3054.6722 1.3681 3063.5503 7.8757 3068.4005 4.1052 3068.9072 10.7453 3071.5280 2.7218 3077.6972 229.1715 3079.8649 9.8049 3085.0958 34.9789 3092.0378 11.8842 3093.4840 22.1314 3095.1607 44.3144 3105.8093 70.0498 3106.8069 3.8808 3110.4263 45.7995 3112.8682 31.3505 3121.3302 35.5679 3125.4031 24.7248 3136.0186 36.4509 3141.1427 25.9880 3149.4577 5.3909 3151.0338 25.4605 > 0.30150 GHz 0.02537 GHz 0.02374 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$