NIST 06241517573D 1 1.00000 -1211.83490 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 58 59 0 0 0 0 0 0 0 0999 V2000 6.7725 2.0834 0.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6119 3.5576 0.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4947 3.9182 2.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9688 3.5683 1.8576 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1266 2.0923 1.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2406 1.7304 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0380 1.7961 -0.6945 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1074 0.1705 -2.8970 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8785 -0.9983 -1.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6596 2.3403 -1.9212 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9119 2.1234 0.0848 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 0.5764 1.7144 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8037 1.1879 -0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2457 0.8769 -1.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8255 0.2867 -1.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9093 1.2425 -1.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5584 1.7077 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4259 0.6968 1.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1381 0.7865 -4.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9033 -0.9446 -2.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9807 -1.5830 -1.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5687 -1.4136 -3.6244 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8506 -1.8860 -1.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4639 3.0481 -1.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7858 -0.3154 2.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3797 1.4484 1.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8981 4.1686 0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5576 3.7649 1.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3881 4.9852 2.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1413 3.3724 2.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3575 4.2030 1.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5723 3.7898 2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1749 1.8658 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8541 1.4581 2.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 2.2810 -0.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3294 0.6636 0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8847 0.3008 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1069 1.8759 -2.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4162 0.1975 -2.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9661 0.7310 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0413 2.6157 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9803 1.0863 2.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8458 -0.2819 1.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1204 0.9147 -4.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6197 1.7717 -4.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7035 0.1369 -4.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0026 -1.6901 -0.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4420 -2.5631 -1.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6269 -0.9836 -0.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0241 -2.8309 -1.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8506 -1.5137 -1.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8881 -2.0610 -2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3871 3.8321 -2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4168 2.3908 -1.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4653 3.5187 -0.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2977 -0.3425 2.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1443 -1.3327 2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2618 0.0205 3.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 12 18 1 0 17 11 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 13 7 1 0 14 8 1 0 15 9 1 0 16 10 1 0 8 19 1 0 8 20 1 0 20 21 1 0 20 22 2 0 9 23 1 0 10 24 1 0 12 25 1 0 7 1 1 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 1 6 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 13 37 1 0 14 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 18 42 1 0 18 43 1 0 19 44 1 0 19 45 1 0 19 46 1 0 21 47 1 0 21 48 1 0 21 49 1 0 23 50 1 0 23 51 1 0 23 52 1 0 24 53 1 0 24 54 1 0 24 55 1 0 25 56 1 0 25 57 1 0 25 58 1 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. > 2015-06-24 > R496294 > B3LYP/6-31G* > 5.5328 debye > -1211.83489841 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 23.9619 0.4138 29.2438 0.5698 31.5729 1.5282 43.5577 1.0705 46.2573 0.0859 50.2553 1.0707 63.2131 0.7150 73.1641 2.4396 82.1909 1.7874 89.7990 1.7906 95.0438 0.2823 100.1579 2.9553 127.9082 0.0635 131.6981 0.5241 148.6644 3.0444 155.7972 0.9811 173.6866 1.2163 188.8498 1.3074 191.8440 4.0006 212.4438 1.2860 220.4028 0.5212 227.5481 0.0488 232.4236 2.1133 241.2386 2.6293 262.9049 5.4416 271.8506 3.0918 282.1820 4.1052 294.5704 4.1537 318.0669 3.2931 339.0464 2.4462 349.3223 1.3688 367.6206 2.3448 384.8351 2.1406 398.4259 1.1634 429.6183 3.0034 449.6711 0.0196 458.9589 5.7728 468.6153 10.1694 484.8078 6.9022 513.3147 3.4304 527.8577 7.1215 577.9784 20.7421 585.1896 1.3836 597.3480 7.8961 607.5424 13.6176 640.8020 6.9759 688.4471 3.2778 768.5561 1.3833 801.3066 0.3694 809.6103 0.6963 828.0884 1.8891 856.4993 4.7047 871.2499 5.7943 901.2045 5.4844 905.9759 5.5706 924.5933 3.0842 942.4844 0.4719 960.4981 46.4160 973.4233 5.3495 981.0283 18.1555 993.2455 35.3122 1002.3073 39.7544 1029.5789 64.7011 1039.9958 13.9973 1056.4048 23.9221 1063.0254 151.4380 1067.4249 36.2986 1069.6137 14.1334 1072.3869 18.9534 1087.9739 20.2745 1095.8477 1.9563 1108.3927 12.2989 1113.7788 65.8163 1118.3066 35.5646 1142.9058 72.7600 1147.9341 154.8043 1159.2450 71.1396 1166.2984 222.1396 1169.8088 108.8638 1178.7085 46.4059 1189.1714 24.5915 1190.4381 5.1853 1191.9157 1.0002 1196.4488 21.8273 1205.5347 95.2750 1219.5262 5.3920 1227.5818 63.1777 1230.6764 11.5452 1238.6289 38.9161 1256.4564 14.1088 1263.7295 33.1608 1287.9123 7.3432 1297.0049 2.1313 1300.8490 24.6458 1306.9297 17.5022 1317.9286 10.3101 1346.4029 5.5604 1349.2352 0.2388 1353.1165 44.0774 1361.5376 18.4510 1369.7820 7.9469 1383.6771 1.4195 1386.6020 13.2155 1395.5992 7.6289 1397.6589 38.8886 1399.2035 2.3791 1400.8894 1.5583 1408.7475 6.2254 1413.6363 57.3934 1421.8538 82.7343 1436.2253 4.1097 1438.7907 10.4949 1443.9371 10.3951 1458.8988 20.9920 1495.4789 43.2507 1501.9228 5.8097 1502.2970 1.9951 1505.2155 4.2906 1512.8488 0.1078 1514.0580 3.7895 1514.3733 11.9302 1516.0872 1.1541 1517.8752 3.1414 1519.4816 4.4319 1519.7790 0.2929 1525.6833 8.5057 1532.2141 4.7141 1532.3155 16.4434 1534.0493 8.4141 1536.8451 20.7864 1537.1878 7.7015 1539.4922 1.9150 1543.2839 19.9781 1559.5766 2.3250 1750.6643 332.7595 2990.7672 52.1848 2997.9790 7.1635 3001.5826 71.8581 3002.7269 52.6600 3014.0084 43.3769 3020.0323 19.4115 3021.3838 20.2588 3028.4330 31.5118 3032.6566 18.8819 3037.3984 58.2261 3037.5848 12.1604 3039.5366 31.8046 3040.0047 84.4389 3041.9450 7.5300 3046.9899 37.7315 3054.1116 53.9026 3058.3158 9.5950 3068.8827 44.0784 3072.7097 68.9591 3074.4673 57.3252 3077.2154 11.4825 3078.5616 40.9974 3086.7220 26.9012 3087.7412 46.8257 3088.0201 73.2247 3094.9891 8.0544 3121.2725 20.8151 3136.5618 33.9799 3140.0142 31.0544 3144.5568 20.8070 3153.0204 9.6413 3188.1707 2.4591 3200.0730 2.2385 > 0.24280 GHz 0.15982 GHz 0.12417 GHz > Gaussian 09, Revision D.01 > Sarah Wollman $$$$