NIST 07021513163D 1 1.00000 -1237.16502 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. 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All rights reserved. > 2015-07-02 > U357109 > B3LYP/6-31G* > 0.5923 debye > -1237.16501818 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 6.4670 0.0092 11.4790 0.0263 22.5776 0.6382 29.2315 0.0931 31.7178 0.6183 36.5227 0.4646 45.0468 1.2634 47.0461 0.1322 55.3309 0.0624 64.9337 0.4520 73.0671 0.6746 76.9907 1.5679 82.1310 0.0738 101.3980 0.4342 107.0656 0.4664 115.5464 0.2181 125.3997 0.1276 131.2939 0.5926 137.0151 1.5683 161.7899 0.2689 163.6283 0.0147 173.8757 0.1044 195.6913 1.2306 201.3775 0.7015 207.9502 0.2268 217.3775 2.1444 248.3795 1.4887 256.8731 0.0035 276.1150 0.8157 294.7469 0.9080 315.2569 1.3163 346.8967 4.3913 354.2210 4.9895 378.6047 5.2010 398.0329 0.8051 398.9293 0.2571 408.7571 12.4989 421.3124 4.6497 429.3584 1.8019 436.9833 4.5509 457.7318 1.9317 498.8318 0.1781 520.0247 1.2001 541.1626 14.6913 564.4386 3.4319 573.5875 1.7875 659.7725 1.0433 700.1987 0.7042 706.5143 19.4578 726.9584 2.7465 739.2319 3.5591 739.9412 2.4050 746.1010 3.0563 749.7604 69.0164 766.1628 0.6902 769.5220 0.5998 797.0189 1.8342 802.9984 5.2410 804.8645 4.8177 825.2090 1.4424 850.3379 7.7972 854.2331 0.7508 881.2229 4.4808 894.9645 0.4692 905.5373 2.3323 907.5574 0.8645 912.3227 0.1833 928.9993 42.7261 955.6069 4.0484 957.8505 7.7266 973.9602 0.7768 996.7138 1.4046 1000.0105 5.6156 1001.4537 2.4983 1005.7600 5.0589 1008.9084 0.4425 1025.7951 3.4589 1041.0969 2.2485 1042.5708 3.4586 1045.3064 0.7155 1060.8119 4.1679 1067.0446 0.4593 1070.9900 14.4900 1073.9073 1.9881 1076.4128 6.5803 1080.1972 22.3493 1092.6174 3.6733 1095.9018 78.6506 1111.1623 10.7621 1118.6785 28.5673 1147.0275 115.0395 1152.2478 23.5524 1165.3809 173.4981 1194.3681 3.5451 1197.7168 0.4088 1227.1918 0.2750 1243.1875 1.5344 1248.7158 9.6136 1258.2914 0.7336 1270.2558 134.5798 1279.1421 11.1129 1292.1801 3.3591 1299.6159 191.9148 1307.2221 11.4951 1312.0623 131.9329 1315.5038 130.0670 1322.2180 0.5763 1325.5999 184.8066 1335.0483 36.4490 1338.7873 0.2938 1345.5170 3.0854 1347.4169 0.3415 1354.7843 2.1763 1356.0952 0.0530 1356.3835 1.0211 1364.6443 6.4293 1390.1380 2.7936 1394.5356 2.2740 1416.9083 0.5092 1425.9590 3.8717 1426.4749 0.4372 1427.7477 9.2337 1429.5540 13.2164 1432.3276 2.7209 1440.9529 11.7886 1443.8644 1.0694 1472.9823 1.3830 1491.0757 3.0620 1499.6007 0.7517 1506.3244 1.5267 1513.3393 0.2204 1514.0740 0.3896 1514.6704 10.6931 1516.5619 0.1988 1517.6113 0.2199 1520.7964 10.3113 1522.0084 1.4502 1523.5040 8.1486 1528.7551 0.0343 1529.8165 5.9977 1531.4671 5.4322 1534.0085 3.5427 1535.9115 1.5294 1541.8403 0.0778 1545.8593 4.8393 1628.3679 1.5866 1655.9226 14.3256 1737.1497 9.3968 1798.1093 338.1969 1804.5160 76.7285 3010.0715 0.0604 3011.0150 0.3491 3012.7171 3.8852 3013.5817 0.6464 3018.1727 0.0417 3021.7087 22.8802 3024.3706 22.9246 3028.4893 141.1768 3029.4007 4.0305 3030.2485 0.1250 3032.1273 1.0426 3035.5689 34.1291 3035.9519 22.2194 3038.3262 61.8508 3041.5480 43.4557 3044.4336 3.5700 3054.7969 4.4481 3061.8252 3.2069 3067.5223 2.6363 3075.2184 130.9722 3080.9690 34.7667 3087.0616 106.5915 3090.0020 51.8080 3092.9239 29.4076 3095.2598 9.8032 3106.1317 68.4385 3110.4559 45.7218 3127.8649 19.3502 3146.8087 13.7924 3157.5784 7.9807 3158.4108 9.2778 3193.9423 2.7258 3208.4084 15.4548 3223.7090 5.4597 3227.3049 7.1782 3234.8734 17.4954 > 0.37947 GHz 0.04232 GHz 0.03993 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$