NIST 07011523043D 1 1.00000 -743.32266 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 51 51 0 0 0 0 0 0 0 0999 V2000 4.9038 5.4296 4.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2593 4.8039 3.7601 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2268 4.6522 4.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0317 3.4877 3.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9928 6.8762 4.6912 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6250 4.1023 4.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5107 2.3619 3.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3135 3.3754 1.6583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6287 7.5710 4.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4764 5.0237 3.7385 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2822 1.1689 2.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0868 2.1838 0.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7221 6.9592 5.9266 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8947 4.4998 3.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5696 1.0743 1.6349 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4229 7.7425 6.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8292 4.4610 4.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4504 7.7601 4.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2467 3.9969 4.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 5.4077 3.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4318 4.7894 4.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7170 5.4979 3.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3426 5.6299 5.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7584 3.9975 5.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6044 7.4615 3.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5202 6.9071 5.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1494 3.9247 5.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5289 3.1218 4.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2798 2.4162 4.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7154 4.2358 1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8008 8.6293 5.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1131 7.5630 3.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9661 5.1753 2.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5453 6.0179 4.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8783 0.3110 3.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3156 2.1243 -0.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 6.8996 6.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4669 5.9244 5.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8270 3.4925 3.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3547 5.1338 2.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3923 0.1447 1.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9144 7.3055 7.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6738 8.7753 6.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8736 5.4630 5.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4152 3.7979 5.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 8.2658 4.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1835 6.7404 4.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4777 8.2824 5.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2381 2.9854 3.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7092 4.6612 3.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8949 3.9806 5.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 22 1 0 0 0 0 3 6 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 10 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 4 2 0 0 0 0 7 29 1 0 0 0 0 8 12 2 0 0 0 0 8 30 1 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 7 1 0 0 0 0 11 35 1 0 0 0 0 12 15 1 0 0 0 0 12 36 1 0 0 0 0 13 16 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 17 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 11 2 0 0 0 0 15 41 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 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. > 2015-07-01 > 2400-01-3 > B3LYP/6-31G* > 0.2993 debye > -743.322656118 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 14.1849 0.0021 24.7489 0.0009 25.6608 0.0032 30.3565 0.0030 38.5358 0.0030 48.2693 0.0004 70.8802 0.0335 76.1347 0.0069 90.7951 0.0007 113.3088 0.0061 128.6216 0.0543 130.3269 0.0729 174.4423 0.0124 203.3276 0.0021 228.5269 0.2194 232.9459 0.0783 240.1303 0.2846 250.8444 0.0558 262.8031 0.0420 279.0301 0.1049 291.6764 0.2856 300.9371 0.1869 332.3674 0.2116 377.9112 0.3375 418.1650 0.0242 425.7498 0.0267 465.8204 0.5068 526.1550 1.6573 538.6056 4.2619 574.8238 4.6279 616.5054 2.0586 635.8739 0.0272 716.0031 29.5183 725.7870 5.8767 743.6601 1.4547 752.1574 1.1516 772.5951 1.6605 775.1514 20.8485 786.9324 0.5626 792.8636 2.2804 830.5230 1.5441 858.8639 0.0632 862.7401 0.1690 867.1191 3.8560 899.9016 3.4396 902.8557 1.7199 922.7909 1.4013 925.9958 0.6879 946.4414 1.6528 964.3125 0.0097 991.5916 0.2198 995.1017 1.7006 1011.9055 0.5189 1017.3236 0.1137 1020.5429 0.7565 1023.7901 3.1847 1046.1222 0.2190 1057.4251 0.5234 1061.2971 2.2982 1066.3007 0.2606 1077.4608 0.1418 1095.2956 0.1439 1103.1572 0.2678 1107.9934 3.4168 1118.0599 0.5650 1142.6892 1.5288 1148.8150 1.3137 1165.8317 0.6400 1192.2079 0.0526 1203.8467 1.0882 1216.2202 0.0387 1219.4565 0.8453 1231.1030 0.0022 1253.7865 0.9999 1263.8600 2.8856 1288.2942 0.4123 1302.6177 1.7743 1318.8989 3.2200 1329.1421 2.0571 1333.0562 1.9977 1334.9131 2.9281 1346.9849 0.7164 1351.9175 4.2861 1353.3070 2.1954 1364.8348 5.3887 1366.0983 1.9297 1368.6165 1.2495 1378.3341 0.9073 1396.2669 10.3273 1400.5866 2.9688 1406.0623 1.9192 1418.2762 3.0349 1421.3164 0.5595 1424.9310 2.1626 1428.2973 2.6007 1442.5883 0.7785 1444.3378 4.8103 1501.6208 5.0956 1509.0305 1.3160 1511.3602 0.8801 1513.5580 0.0114 1514.6478 1.8576 1518.3863 2.0219 1518.8258 0.5677 1525.3544 1.6167 1527.8194 0.6212 1527.9811 3.1937 1528.5563 4.7139 1530.9795 5.3836 1533.9467 4.5645 1539.5262 6.4599 1541.2303 2.9102 1545.3020 9.7932 1641.7905 1.5448 1663.3163 5.5878 3013.3601 8.5675 3013.8685 3.3123 3015.8753 11.3440 3020.2513 50.0814 3024.1198 0.7112 3025.9239 32.5423 3027.8149 21.9815 3028.4129 50.0352 3030.4901 24.3150 3033.7678 54.0253 3040.8633 19.3524 3041.0922 33.9631 3043.6209 20.9697 3046.0438 13.1954 3046.7141 8.1326 3050.8393 7.3139 3057.4390 5.1713 3058.9150 23.7196 3070.7133 31.9895 3072.5169 21.1039 3075.3016 104.3091 3079.7133 39.2719 3085.1930 141.8612 3106.4905 61.7312 3106.8391 57.0392 3109.7983 45.8172 3116.5009 52.2941 3171.2090 10.4504 3176.8217 2.2531 3187.0974 11.5132 3194.8876 44.3420 3207.0178 24.0464 > 0.39481 GHz 0.14803 GHz 0.11536 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$