NIST 07261519323D 1 1.00000 -1757.63688 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. 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0 53 7 1 0 0 0 0 54 7 1 0 0 0 0 57 9 1 0 0 0 0 58 9 1 0 0 0 0 60 13 1 0 0 0 0 61 14 1 0 0 0 0 62 14 1 0 0 0 0 65 16 1 0 0 0 0 66 16 1 0 0 0 0 69 18 1 0 0 0 0 70 18 1 0 0 0 0 73 20 1 0 0 0 0 74 20 1 0 0 0 0 75 21 1 0 0 0 0 78 22 1 0 0 0 0 81 23 1 0 0 0 0 82 25 1 0 0 0 0 83 25 1 0 0 0 0 84 39 1 0 0 0 0 86 27 1 0 0 0 0 87 27 1 0 0 0 0 88 37 1 0 0 0 0 91 29 1 0 0 0 0 92 35 1 0 0 0 0 95 31 1 0 0 0 0 99 33 1 0 0 0 0 102 30 1 0 0 0 0 103 35 1 0 0 0 0 107 37 1 0 0 0 0 111 39 1 0 0 0 0 114 41 1 0 0 0 0 115 41 1 0 0 0 0 116 42 1 0 0 0 0 117 42 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. > 2015-07-26 > R516566 > B3LYP/6-31G* > 5.3666 debye > -1757.63688439 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 2.3854 0.0003 6.4439 0.0252 7.2821 0.0780 9.9719 0.2706 11.1407 0.0656 13.9560 0.3265 16.5633 0.3404 23.9839 0.2038 29.3798 0.2836 29.8978 0.1312 33.6283 0.0682 38.3263 0.4994 38.6524 0.1454 42.8378 0.0130 45.1576 1.0273 50.8614 0.3067 56.6686 0.3844 59.8812 0.1969 63.9356 0.0528 67.8123 0.2739 71.2668 0.5286 81.2830 0.1129 83.5982 0.1540 91.3862 0.5149 94.6150 0.0286 97.6030 0.3907 101.7782 0.0695 104.9555 0.4902 107.6379 0.3796 117.2259 0.3357 119.4897 0.8086 121.4106 1.0517 134.2763 0.0413 138.9388 0.2534 140.8067 0.6904 146.8280 1.3045 152.7231 0.1640 155.0071 0.0651 159.0129 0.0199 160.2809 0.0167 161.7377 0.0112 164.6526 0.0529 170.2567 2.8054 179.2327 1.2822 187.8755 0.0053 204.7740 0.8252 207.6142 0.4258 217.6220 0.2759 221.4612 0.1216 236.4146 0.1390 244.2077 0.3105 246.9090 0.1707 248.1450 0.0008 249.5650 0.0024 253.3182 0.4490 273.2670 0.6492 286.0752 0.1880 301.6368 0.7114 315.3890 1.0853 322.9976 0.3742 334.0413 3.2819 356.3932 0.3725 361.6330 0.1938 373.4738 0.2305 379.5450 0.0983 409.9704 0.7516 430.0498 0.5430 440.9311 0.1372 445.9918 0.2060 458.6290 0.4444 475.3867 0.0403 478.4098 0.5764 481.4999 2.9028 485.0210 0.2836 506.9069 0.0123 512.6539 2.8652 546.1309 3.4264 547.0999 0.2522 595.8018 6.9421 641.8243 15.2424 723.4613 3.6089 734.0920 1.6929 736.1290 8.7466 736.8094 16.2399 738.3333 2.3435 738.3738 4.8653 738.5945 3.8519 741.9293 0.4203 742.4412 2.9838 746.1547 1.3704 746.8365 3.3682 762.2351 1.5760 766.0851 0.4589 772.0823 0.2900 776.3846 3.2203 787.3646 0.6992 803.7545 1.0425 808.6484 1.1381 821.3332 9.1275 823.6248 0.6194 843.2096 0.8248 847.8383 3.4698 869.4808 2.4109 878.6337 0.9928 898.2291 1.1497 904.0648 1.7263 904.5789 1.9580 909.3503 1.2025 911.6837 1.2452 922.1103 3.1069 930.7762 5.7483 944.6945 0.7558 951.6738 3.3634 957.7576 0.7298 962.1938 0.3926 976.7724 4.1937 987.6804 2.6437 995.1160 2.0000 999.4423 1.2080 1002.0735 0.3667 1005.8322 3.3351 1015.7787 0.6263 1016.0210 2.2747 1017.5866 2.0501 1024.4877 2.1404 1028.2780 0.3678 1030.5190 0.2288 1034.3855 9.0442 1037.6045 1.7096 1039.8608 1.8821 1049.1897 2.0562 1050.8485 0.7697 1054.1869 0.0132 1060.0848 1.1323 1062.1343 0.6524 1065.4245 1.8960 1069.5553 0.4743 1069.7561 0.3823 1072.4156 1.3348 1072.8603 0.1224 1074.1001 0.3253 1074.4905 0.2909 1079.2455 0.2634 1080.2586 0.8417 1081.8432 5.3605 1083.9197 2.4655 1087.5422 40.0776 1104.7652 9.2690 1105.5492 55.6412 1110.0150 84.7267 1112.2404 2.2238 1122.8589 5.6763 1124.0021 8.9927 1140.4847 2.8878 1147.5717 1.5201 1153.4771 12.9395 1161.5971 170.6513 1169.0512 21.6380 1176.2620 3.2234 1193.4094 4.3195 1199.0656 2.8406 1221.8519 73.9356 1223.9976 38.7974 1229.8276 1.7607 1233.0256 5.3469 1238.6615 1.5010 1246.6799 1.9534 1247.5318 7.2488 1255.0087 0.1659 1258.0094 13.9067 1264.7175 0.1519 1269.9568 0.9234 1272.3268 33.6637 1277.2635 9.3749 1283.5099 5.5519 1284.0223 4.2573 1290.4615 5.4484 1293.1079 4.1903 1294.6513 2.9924 1303.8785 46.2021 1305.3405 3.2366 1308.4694 4.4963 1310.8782 0.6781 1317.6519 0.4193 1321.7932 1.2008 1329.3737 0.9901 1332.9156 15.7727 1333.9517 0.0460 1335.5296 0.8477 1336.1472 0.3945 1338.2956 1.6376 1338.8327 0.3773 1341.4542 1.2494 1341.6158 1.0857 1341.7082 0.6990 1343.6590 0.2980 1344.6069 15.9461 1347.7450 1.8577 1350.0407 0.3484 1351.6850 0.1293 1352.2482 0.1041 1352.7513 0.4981 1354.7708 1.6570 1355.2218 2.6756 1355.8355 0.7079 1356.1238 14.2061 1367.0856 5.3139 1372.3863 46.6500 1375.2111 2.4670 1376.9767 1.8641 1380.8597 1.0634 1398.8014 3.7737 1403.2768 4.1117 1404.4685 4.1106 1406.2857 61.1368 1409.6088 1.1990 1410.5027 25.0381 1416.2754 0.7111 1418.2262 1.2404 1422.5368 0.0858 1424.8713 0.5162 1425.2430 0.1196 1426.4100 0.0485 1427.1455 0.3378 1427.5417 0.3771 1428.3382 0.9628 1430.3860 0.7440 1438.9091 3.1870 1440.8527 0.9630 1441.2853 1.0382 1455.9618 13.4664 1464.0208 4.5813 1505.3620 0.3045 1507.2264 3.7479 1509.9235 3.4938 1510.1589 5.1453 1512.9061 0.6022 1513.2602 0.9526 1513.6579 0.9539 1513.8647 1.0700 1513.9872 0.4078 1514.5888 0.1107 1515.1717 0.1491 1515.4666 1.0362 1516.9660 0.2502 1517.3635 0.4904 1517.7772 1.4944 1518.3636 4.6468 1519.4424 1.1738 1520.5205 0.0460 1522.6832 2.0070 1523.1197 2.3242 1523.5276 0.5101 1525.6355 2.9928 1528.3558 1.3337 1529.4196 5.6901 1529.8033 5.7215 1532.2071 1.1900 1532.7518 2.1510 1534.8358 0.9330 1536.5951 1.3533 1539.1136 9.4825 1539.6052 0.0823 1540.9900 3.0214 1542.4588 5.1942 1543.8529 4.9020 1544.6114 5.1029 1546.0303 1.7786 1559.2857 0.2254 1561.2351 0.4784 1743.5931 0.7024 1839.0699 352.9155 2966.9947 15.2087 2977.7017 101.6615 3000.4296 58.7372 3007.2754 40.6490 3008.1937 11.6785 3009.0320 0.1333 3009.7027 1.3759 3009.9224 3.2536 3010.1677 0.5429 3010.4329 5.5532 3011.6531 0.7560 3012.5557 0.0780 3012.8755 16.4595 3013.5375 4.3657 3014.0571 0.5464 3014.1033 2.6474 3015.0971 6.3993 3015.8194 10.0880 3017.0705 12.9254 3019.6479 5.2148 3020.5734 3.4844 3020.9807 14.0783 3021.5481 9.8054 3022.4746 4.1319 3022.8086 3.5562 3026.4882 10.7336 3026.5670 23.9885 3026.8956 23.5781 3028.5663 42.5196 3028.9963 194.2437 3029.6069 189.7566 3030.7159 20.9346 3031.1845 0.3235 3032.1939 7.5369 3033.8780 4.2571 3034.1308 8.7144 3034.4969 5.8686 3036.2665 30.6097 3038.4116 54.2584 3039.0004 6.4807 3041.3758 33.6195 3041.4017 56.0300 3043.3094 0.5022 3043.8996 21.9286 3047.6842 0.1324 3049.5270 12.9963 3052.2369 43.2572 3054.0725 11.8726 3055.1054 2.2635 3057.8702 4.3192 3058.7674 49.4007 3062.2437 8.2253 3062.5141 8.7912 3062.9094 106.3424 3064.8497 3.2756 3066.9389 10.0178 3069.3921 23.8737 3072.8694 33.1009 3074.3762 99.1944 3078.6367 280.6354 3079.4462 18.9332 3081.3967 90.9157 3084.1853 16.3528 3084.7210 65.2547 3085.3500 84.6935 3090.1305 128.2794 3092.8025 69.6379 3103.5013 24.9713 3106.0850 41.9553 3106.1212 97.8887 3110.4827 60.2562 3110.5037 28.8807 3120.9324 15.9844 3127.3370 31.9199 3144.8233 67.4387 3146.2568 31.2809 > 0.03355 GHz 0.03001 GHz 0.02168 GHz > Gaussian 09, Revision D.01 > Sarah Wollman $$$$