NIST 06291509153D 1 1.00000 -1315.76745 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. 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All rights reserved. > 2015-06-29 > U356729 > B3LYP/6-31G* > 5.6663 debye > -1315.76745277 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 7.9919 0.0981 12.6554 0.2321 17.0389 0.4582 21.6424 1.1079 27.9647 0.1178 30.8644 0.4484 37.8109 0.1297 40.8910 0.0837 47.2201 0.5516 50.7018 0.1994 52.5308 0.3428 57.1174 3.0976 75.0286 0.0601 88.0058 0.5163 89.9543 0.0551 98.6571 0.1914 111.5667 5.2393 122.5341 2.4314 125.1097 0.3171 132.2992 0.0383 148.4878 0.4861 152.0469 0.9495 164.8175 0.0032 168.5958 0.0271 192.5557 0.3732 194.0874 0.0715 208.8364 0.5613 221.0475 0.5896 235.7836 1.1183 244.7648 0.0670 259.1799 0.0023 259.5991 0.2996 267.2118 1.2220 276.2251 0.8219 303.4215 0.5950 348.0749 1.6842 352.1401 2.4505 378.3809 0.6992 378.9743 1.4150 387.4983 3.2336 389.3541 5.9823 404.0027 0.5637 436.1603 1.4317 452.5104 2.5566 480.0668 0.4519 494.0225 0.0556 520.9555 2.2443 527.3415 0.7023 571.2615 3.5370 588.6448 7.5230 593.5083 11.2193 645.6750 26.3782 650.5061 25.7118 695.3667 0.8528 718.9992 4.5187 739.2403 5.6777 739.9444 0.2959 743.0675 56.0680 747.0306 2.1855 762.6484 39.0132 769.4148 10.6989 783.5410 12.1443 805.1680 0.9637 809.6889 1.4014 820.6302 2.9329 840.2302 12.2240 844.2940 3.0896 865.9219 0.8999 905.0053 1.5165 924.1124 0.7280 931.2612 1.8415 948.6632 1.0325 954.2389 9.9384 958.8021 0.6780 966.7138 3.6662 977.4916 4.5589 983.8679 0.3842 992.3394 0.8842 997.5626 0.3226 998.3506 4.6061 1008.8881 2.8740 1012.8847 27.2267 1018.3496 3.0932 1020.5354 17.1205 1026.5655 0.4163 1034.2522 9.7886 1037.6759 3.4956 1054.2908 2.6363 1060.3980 1.2143 1069.6861 1.2312 1073.5913 0.1243 1080.2141 1.0614 1082.3944 0.0720 1088.6630 12.7835 1101.6380 45.9681 1118.8595 107.5265 1124.9626 70.7652 1136.4331 45.4924 1145.3478 205.0804 1150.0644 3.8216 1180.8897 20.7928 1188.6837 28.2009 1206.6342 19.1701 1220.7376 16.5464 1226.3481 8.9688 1235.8978 220.4506 1243.7572 29.5064 1256.1351 118.3932 1262.1602 235.0479 1278.1160 0.2107 1289.8778 1.2764 1301.0315 203.8117 1308.6929 0.5455 1313.6484 12.4629 1319.0711 81.4644 1319.3858 211.6002 1324.2893 0.9285 1331.6103 7.8688 1339.3085 0.6204 1343.1785 40.1525 1344.6842 0.1204 1348.2738 0.2195 1350.9691 0.2761 1355.2460 0.0243 1356.2635 0.1395 1367.9990 1.6417 1373.0177 0.5522 1381.4985 1.0584 1381.9261 7.1163 1405.1043 0.4282 1420.6382 5.9499 1420.8322 0.2737 1426.6869 0.0750 1427.4915 0.7140 1430.7223 7.0215 1431.2300 7.0101 1442.1823 0.9827 1454.1414 8.2716 1455.4389 5.9080 1468.1701 18.5365 1505.0903 0.7612 1512.7755 0.0607 1513.2401 0.0300 1516.0130 0.0974 1516.6351 0.4922 1517.7335 0.4600 1520.7469 1.4098 1524.1400 4.5114 1524.7083 5.2172 1527.6447 4.0759 1529.1583 1.0694 1530.3094 0.8139 1531.4535 5.3438 1536.3594 1.3636 1540.1079 2.2198 1541.0276 4.6956 1542.2600 0.0475 1545.3233 11.2162 1545.7613 4.9794 1638.0425 1.3521 1655.8564 19.4137 1740.5162 2.3394 1812.2619 251.1431 1814.3890 330.1168 3010.4715 0.4889 3011.0137 0.1974 3012.8071 1.7149 3013.2755 20.1433 3013.3393 3.3975 3014.8929 10.3492 3017.9592 0.2785 3023.5045 6.8887 3027.9014 5.2867 3029.7255 204.1968 3030.8545 12.6224 3032.9246 9.4274 3037.2598 4.5947 3041.3505 43.9443 3044.8325 2.4450 3045.5556 36.6425 3049.4324 21.0773 3051.7928 4.8083 3054.2560 2.5967 3056.0758 27.9847 3062.9167 7.8777 3064.4801 31.0387 3070.1662 5.6191 3076.7366 154.3831 3087.0504 86.3922 3106.0818 67.5971 3106.4204 6.4791 3107.7434 1.9180 3110.6442 45.3486 3112.0989 53.5400 3113.3214 43.5160 3123.6083 11.4532 3127.0741 8.8946 3130.5453 23.8389 3133.8939 35.4896 3151.8500 53.6659 3201.3124 6.5515 3220.4896 7.5095 3228.8158 5.7700 3237.2036 0.8531 > 0.21604 GHz 0.02918 GHz 0.02703 GHz > Gaussian 09, Revision D.01 > Yvonne Niyonzima $$$$