NIST 06151501083D 1 1.00000 -855.60213 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 52 51 0 0 0 0 0 0 0 1 V2000 69.1392 9.9551 0.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 68.9266 11.1184 0.4034 O 0 0 0 0 0 0 0 0 0 0 0 0 68.0712 9.1093 0.0801 O 0 0 0 0 0 0 0 0 0 0 0 0 70.5331 9.3812 -0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 74.1308 10.9389 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 73.0352 9.8739 -0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 71.6271 10.4469 0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 68.2447 7.7110 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 66.9471 7.0510 -0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 65.8792 6.4852 -0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 64.5885 5.8004 -0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 64.4519 4.8858 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 63.0868 4.1919 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 62.9380 3.2713 2.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 61.5702 2.5813 2.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 61.4244 1.6554 3.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 60.0559 0.9673 3.8439 C 0 0 0 0 0 0 0 0 0 0 0 0 59.9128 0.0367 5.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 58.5452 -0.6530 5.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 58.4132 -1.5835 6.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 70.7069 8.5843 0.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 70.5706 8.8860 -1.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 75.1260 10.5047 -0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 73.9948 11.7267 -0.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 74.1180 11.4175 0.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 73.2182 9.0827 0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 73.0971 9.3874 -1.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 71.4321 11.2330 -0.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 71.5563 10.9357 1.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 68.6826 7.6044 -1.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 68.9354 7.2467 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 63.7867 6.5523 -0.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 64.4332 5.2083 -0.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 65.2525 4.1350 1.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 64.6138 5.4854 2.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 62.2922 4.9524 1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 62.9265 3.6081 0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 63.7298 2.5081 2.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 63.1061 3.8542 3.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 60.7791 3.3451 2.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 61.3996 2.0026 1.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 62.2144 0.8904 3.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 61.5983 2.2334 4.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 59.2660 1.7323 3.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 59.8802 0.3925 2.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 60.7027 -0.7284 5.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 60.0878 0.6107 5.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 57.7559 0.1112 5.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 58.3696 -1.2249 4.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 57.4277 -2.0622 6.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 59.1690 -2.3782 6.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 58.5471 -1.0333 7.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 1 4 1 0 3 8 1 0 4 7 1 0 5 6 1 0 6 7 1 0 8 9 1 0 9 10 3 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 15 41 1 0 16 42 1 0 16 43 1 0 17 44 1 0 17 45 1 0 18 46 1 0 18 47 1 0 19 48 1 0 19 49 1 0 20 50 1 0 20 51 1 0 20 52 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. > 2015-06-15 > U292492 > B3LYP/6-31G* > 4.3505 debye > -855.602129476 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 8.9250 0.0214 9.6717 2.9681 23.3453 0.4539 30.2042 0.1377 32.9898 0.4141 52.6105 0.3960 55.2651 0.1857 66.0038 0.0895 69.9538 0.8949 83.1077 0.1733 88.3829 2.0022 103.7018 0.8259 115.7796 0.0407 123.6196 0.5523 126.9797 0.6228 132.6841 1.0397 137.8196 0.5938 156.7324 0.0485 160.8080 0.0853 170.2369 1.7041 212.2476 1.4927 226.0022 1.5985 247.2082 0.0695 248.9192 0.0029 268.8069 3.3621 309.3557 3.5814 314.4740 5.8044 349.4398 0.2012 371.3320 0.0539 392.1406 0.1773 444.7698 1.9284 461.7086 0.6038 493.2765 0.0742 525.9634 6.5369 545.8007 3.4147 551.0002 9.3215 652.8713 10.4947 738.3730 3.8857 739.0432 2.5602 743.2574 5.9163 744.3040 1.5373 763.2082 0.0311 801.2108 0.4720 820.8466 1.2786 827.2821 4.9864 853.9840 2.8629 857.6027 0.1811 904.0762 1.6270 921.2963 7.3951 923.6659 0.2765 950.9894 4.3023 987.8182 1.1517 991.8826 0.0581 1011.8980 0.1077 1020.6306 2.2563 1029.4946 1.2132 1036.5906 4.9582 1047.4461 2.0097 1052.0481 0.4028 1058.3204 86.4419 1066.7173 0.2518 1072.0819 0.0106 1072.8476 0.3373 1079.5102 0.8116 1089.8169 0.1247 1132.3606 64.7524 1137.9230 0.3995 1149.3497 3.4302 1151.3227 0.4298 1176.0029 177.0197 1199.6312 387.4045 1225.8045 0.0724 1238.7167 4.5916 1250.3586 0.3266 1255.6944 0.0714 1271.6612 1.1553 1277.0737 0.6952 1289.9150 0.0741 1309.9970 93.1817 1314.6609 1.0525 1319.1961 0.6854 1335.1078 0.1178 1335.7734 0.0710 1340.7903 0.1463 1344.2556 0.2926 1346.0971 0.3173 1350.8736 1.6298 1352.4162 0.6918 1353.1765 0.2246 1382.5674 8.4443 1394.5637 106.5057 1406.2204 1.4344 1417.4638 61.6823 1421.1657 3.0906 1426.6454 0.2006 1427.5085 0.4887 1428.4544 25.3285 1439.6838 0.9849 1444.0576 6.3987 1487.5822 6.2309 1500.5748 1.3533 1512.6171 0.0569 1512.9502 0.0096 1515.3590 1.9288 1516.4143 0.2291 1516.4658 0.2139 1521.6881 0.4106 1522.3803 0.1433 1525.7540 0.3158 1528.5522 0.3217 1529.3135 5.7875 1529.4964 5.9643 1535.5867 0.9796 1541.1741 4.8848 1541.4274 0.1675 1545.1900 5.1134 1845.9529 292.7626 2373.3497 35.2115 3009.4749 0.0773 3010.4160 0.0272 3012.5553 3.6103 3013.9521 0.2744 3018.0412 0.0430 3020.7871 20.0466 3024.5991 32.2194 3024.7694 17.6165 3025.2941 15.5916 3029.0094 164.9187 3031.2245 1.9403 3032.1365 24.1066 3033.2352 0.8020 3037.1788 0.4014 3041.2278 43.5769 3044.6700 5.6856 3044.8998 27.3087 3046.7117 47.8123 3047.9854 16.9769 3053.3802 8.2395 3056.5380 0.4526 3056.8924 0.3044 3061.3812 31.9433 3064.9333 26.3413 3066.9400 1.0505 3076.0483 144.6801 3092.1333 91.4403 3100.6277 9.7066 3106.0081 70.7477 3110.7809 45.6231 3112.1821 73.3571 3114.7179 40.0146 > 1.02892 GHz 0.04198 GHz 0.04123 GHz > Gaussian 09, Revision D.01 > Sarah Wollman $$$$