NIST 07301504483D 1 1.00000 -2036.34412 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. 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0 0 20 17 1 0 0 0 0 20 19 1 0 0 0 0 20 64 1 1 0 0 0 21 32 1 0 0 0 0 21 65 1 6 0 0 0 22 19 1 0 0 0 0 22 27 1 0 0 0 0 22 66 1 1 0 0 0 23 24 1 6 0 0 0 23 28 1 0 0 0 0 23 21 1 0 0 0 0 23 22 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 25 24 1 0 0 0 0 25 29 1 0 0 0 0 25 40 1 6 0 0 0 26 25 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 26 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 29 28 1 0 0 0 0 29 31 2 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 32 34 1 0 0 0 0 32 35 2 0 0 0 0 33 77 1 0 0 0 0 33 78 1 0 0 0 0 33 79 1 0 0 0 0 34 38 1 0 0 0 0 36 30 1 0 0 0 0 37 36 2 0 0 0 0 38 80 1 0 0 0 0 38 81 1 0 0 0 0 38 82 1 0 0 0 0 40 41 1 0 0 0 0 41 83 1 0 0 0 0 41 84 1 0 0 0 0 41 85 1 0 0 0 0 42 86 1 0 0 0 0 42 87 1 0 0 0 0 42 88 1 0 0 0 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. > 2015-07-30 > R297453 > B3LYP/6-31G* > 3.0473 debye > -2036.34411874 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 15.5964 0.0609 18.5315 0.1243 26.0694 0.2875 28.2409 0.0578 44.9922 0.3071 49.5619 0.4997 58.1586 1.2480 70.8288 3.6447 73.2692 2.3432 74.5337 3.0630 82.9108 0.5089 86.3428 4.0819 92.3157 3.0293 98.4749 1.4081 102.6757 2.5935 109.4675 0.3796 115.4263 0.4219 117.4812 0.8757 123.7558 4.2997 131.5338 1.6018 139.6379 13.8699 150.0613 1.7020 153.2543 3.0421 154.1213 0.0218 164.6464 4.4280 172.1909 0.0192 186.8943 9.7399 188.4116 2.1514 191.0394 0.1174 202.5035 0.9124 216.0885 0.3419 218.9460 0.1721 226.8047 2.2911 230.5731 0.5312 243.1027 3.2223 253.0093 10.9140 264.8818 4.8597 271.1367 6.6158 277.2438 6.3457 280.4350 6.3427 282.8424 3.1737 287.2658 0.5951 289.2821 2.1412 297.2027 0.7129 301.1817 0.5908 320.3573 1.1070 331.5873 3.5774 344.2693 2.6534 350.7736 3.9394 358.7855 2.5249 377.7884 3.3425 389.4563 6.4961 402.6703 1.7138 412.4409 0.1656 416.8902 1.3146 432.5272 3.4653 439.5027 0.9827 449.3929 1.4154 469.1368 3.3571 485.7919 6.1355 492.8366 3.8718 517.6629 1.5879 521.8355 4.0027 539.8809 3.5635 551.6867 2.0897 560.2130 4.0827 573.5141 19.8306 587.3879 2.1565 596.8920 1.9714 608.0731 5.9211 618.1237 14.5409 621.6860 17.9785 626.8180 3.6507 638.6581 7.9153 658.5522 1.2283 672.3857 4.8280 687.1671 0.9661 710.9980 0.1203 728.9656 0.8960 733.3875 25.7776 756.7794 3.3310 762.7203 18.2459 807.8612 5.6001 814.1660 1.6236 845.5654 1.0292 859.3673 1.1239 865.3028 10.9096 873.1544 5.1504 881.5137 6.4025 908.0626 12.4108 921.6424 13.8780 923.8714 7.8422 933.3682 24.1235 942.7024 2.5305 944.7224 8.3161 949.1318 61.3569 957.8131 22.8292 974.4418 3.3741 976.3156 20.5504 983.4098 12.3349 987.2402 13.2651 992.1848 19.6943 999.8484 3.7427 1003.0413 7.1924 1023.0048 7.6801 1034.5571 102.2387 1039.1669 65.2054 1045.3637 10.3247 1059.5288 325.7532 1070.7830 42.4393 1072.6226 227.8433 1082.8315 1.7431 1087.9162 29.4990 1091.8917 87.4872 1098.7920 73.7168 1104.6766 52.9167 1108.3403 42.1563 1115.4098 23.7861 1123.2673 6.9138 1127.9408 29.3958 1132.2819 54.5301 1133.6581 27.3387 1141.1104 250.7689 1144.2702 35.3386 1151.6626 73.7442 1160.5369 122.8667 1161.6278 57.5298 1167.2887 130.5511 1168.6121 166.4430 1175.7926 2.8923 1177.2695 3.7917 1178.5463 19.4112 1183.2136 13.9662 1186.9318 6.2127 1187.1391 23.8943 1190.1062 4.0305 1195.2851 76.9270 1197.3113 41.0345 1200.8256 0.7437 1205.6687 18.1983 1215.9000 74.9145 1218.6236 2.9440 1227.9520 1.4203 1229.0687 5.9435 1231.7977 27.8483 1234.6684 38.7911 1237.9177 19.8303 1240.8173 79.9940 1251.9603 69.3807 1260.1863 3.6388 1261.2554 4.0602 1266.4476 4.8499 1270.1024 9.9575 1278.2331 8.1563 1285.5812 4.6095 1286.0313 18.9531 1308.2806 4.2112 1311.1195 3.2438 1313.2626 51.2258 1318.2814 4.1159 1320.9815 7.3324 1334.1399 36.2920 1346.5778 3.2020 1348.8161 4.7783 1351.2419 8.1058 1363.9597 11.1456 1373.2852 11.2722 1375.9367 6.6699 1381.6544 13.0604 1388.1854 7.3479 1394.2224 27.8148 1404.6285 10.7068 1409.1452 7.0921 1411.3710 16.5664 1418.0923 13.7571 1425.5737 15.5220 1430.5550 31.3722 1439.8114 5.9190 1445.2882 12.0324 1449.7072 19.3779 1453.4266 7.3384 1473.2155 4.2176 1495.9437 3.5992 1499.6680 4.2023 1500.0628 1.2684 1502.4138 1.5373 1503.2980 1.3969 1504.4381 6.0597 1505.7996 7.5322 1508.6959 2.0275 1513.5250 1.3312 1514.1254 1.8872 1518.0182 0.7671 1519.1360 3.8026 1520.2683 3.5792 1521.3414 4.0407 1523.4405 7.1397 1523.7819 8.4093 1525.9869 11.7907 1528.3885 2.1154 1530.8969 3.1030 1535.0627 7.5514 1537.4956 4.3768 1543.7650 12.6365 1545.3350 7.0574 1545.7290 11.4920 1546.5717 5.9810 1552.2588 8.6618 1554.9838 2.8009 1733.7202 6.8385 1822.3995 185.5572 1862.2594 373.3195 2961.8172 56.2970 2989.4057 19.8079 2995.2416 76.3061 3000.5445 88.4544 3013.5393 49.5836 3015.9136 65.4693 3022.0512 47.8020 3027.5576 4.1889 3035.6051 12.5814 3041.9470 5.5357 3043.0185 20.8774 3043.8997 25.1441 3048.3362 45.6973 3052.3670 37.7110 3054.9922 18.8862 3055.6364 15.1124 3058.1929 20.6842 3061.3636 16.6438 3065.2603 28.8129 3066.6970 44.4153 3069.2877 10.5083 3072.3356 38.8978 3080.0824 48.5576 3083.6035 28.3912 3095.3109 8.0130 3097.3053 42.8821 3098.0451 7.0429 3099.2363 31.4104 3101.1233 46.0989 3102.3558 9.3602 3111.4948 9.2736 3114.8618 21.6651 3117.5809 15.9145 3121.7191 20.8089 3125.8623 11.7901 3126.3711 28.0076 3128.7350 37.3738 3137.2838 28.0964 3138.5436 26.3010 3138.8761 32.0239 3139.2201 30.0615 3141.4369 22.8438 3143.3791 3.9167 3162.5922 12.5654 3167.5243 20.5773 3242.3378 13.4293 > 0.17484 GHz 0.04155 GHz 0.03744 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$