NIST 07021519543D 1 1.00000 -765.63627 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 23 23 0 0 0 0 0 0 0 0999 V2000 9.1247 0.9099 0.3668 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0084 2.2269 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7586 1.8957 0.1191 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5955 0.5706 0.4984 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7546 -0.1386 0.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9621 -1.5690 1.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 0.0634 0.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4922 3.5903 -0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4211 0.0042 -0.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9649 -0.4375 -0.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0011 -2.0645 1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4997 -2.1336 0.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5406 -1.6521 2.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1841 -0.9277 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6477 0.7335 1.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1167 4.0380 0.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0863 3.5591 -1.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6229 4.2314 -0.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4621 0.9953 -1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9420 -0.6822 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4441 -0.4720 -1.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9005 -1.4367 -0.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4153 0.2534 0.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 8 1 0 0 0 0 2 3 2 0 0 0 0 4 7 1 0 0 0 0 4 5 2 0 0 0 0 4 3 1 0 0 0 0 5 6 1 0 0 0 0 5 1 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 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. > 2015-07-02 > R317656 > B3LYP/6-31G* > 0.8996 debye > -765.636265593 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 41.9656 0.2705 77.0148 0.4627 84.0125 0.0232 95.6385 0.3090 107.3877 0.0036 150.0450 1.7826 237.9800 0.0575 249.4333 2.4368 263.9255 1.6935 291.1338 1.1858 319.7561 0.3420 353.5706 2.5747 411.4609 1.1268 514.3062 0.0940 535.4662 0.5048 610.3568 7.6425 656.1614 11.6842 684.7249 2.2990 724.7908 3.5597 756.5155 0.7475 881.1554 5.2143 884.8198 2.2330 914.2950 1.2479 1016.6349 8.6069 1049.0721 0.1739 1063.2558 0.7956 1070.9228 0.4565 1081.6814 0.0283 1120.6323 8.1804 1127.3960 6.4684 1190.3903 1.9233 1204.8929 70.1297 1274.1549 2.6519 1319.0575 4.2553 1338.0588 1.3732 1348.1352 1.8227 1404.7961 0.4145 1433.0898 1.0595 1438.8942 0.6202 1445.4889 0.1261 1505.9313 14.7340 1507.5783 2.3353 1508.0407 10.5902 1510.5734 3.8372 1520.5501 2.3194 1523.9454 1.1041 1528.1582 6.1216 1539.0567 3.8578 1578.9740 18.5421 1614.8142 30.2475 3035.2929 0.7264 3039.6100 27.5735 3045.1242 33.9324 3047.5238 59.2985 3053.6171 19.8730 3075.5925 2.9052 3091.2227 3.7036 3093.2918 15.9450 3107.6097 11.8147 3110.3002 73.2852 3112.4089 41.6223 3137.6255 16.3292 3155.0889 5.4297 > 1.76650 GHz 0.71049 GHz 0.53044 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$