NIST 06241416313D 1 1.00000 -592.85300 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 24 25 0 0 0 0 0 0 0 0999 V2000 4.2343 1.1992 0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 0.8198 0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 0.7229 -0.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7894 -4.7607 -1.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5952 -4.7716 -2.5748 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4631 -3.5963 -1.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0354 -3.5852 -2.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6118 -2.3608 -2.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8554 -2.3623 -1.8552 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6196 -1.1061 -1.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9416 -0.0101 -1.1094 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8154 -1.0416 -1.7017 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7188 -0.0728 -0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9406 2.2433 0.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5022 0.5619 1.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8928 0.3447 1.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3778 1.6653 0.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7389 0.1711 -1.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8769 1.5437 -1.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2323 -5.7346 -1.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4425 -3.6353 -1.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0743 -3.6119 -3.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1094 -1.4319 -2.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4631 -1.1111 -0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 9 10 1 0 10 11 1 0 10 12 2 0 11 13 1 0 1 2 1 0 2 13 1 0 13 3 1 0 1 3 1 0 6 9 2 0 9 8 1 0 8 7 2 0 7 5 1 0 5 4 2 0 6 4 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 6 21 1 0 7 22 1 0 8 23 1 0 13 24 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. > 2014-06-24 > U299963 > B3LYP/6-31G* > 3.4807 debye > -592.852995156 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 36.5485 0.0879 47.5137 0.1145 62.2934 0.3918 92.9965 2.0486 139.5935 2.2289 191.5277 5.1092 225.2554 0.9192 339.4581 2.7273 350.1465 3.5542 378.9274 2.5610 390.7703 0.3220 442.2721 6.5533 563.9605 8.1979 593.0968 3.8471 674.8508 31.7996 683.1199 5.5636 719.4981 14.7786 755.9306 7.7252 774.3008 10.7857 793.0764 1.0588 829.3023 5.1663 862.2301 19.7992 898.5487 2.8445 919.7899 0.1889 929.6629 1.0871 957.1462 2.4490 983.3237 6.9352 986.6833 7.0943 997.1391 0.7934 1012.1611 3.6959 1068.0420 3.7690 1079.1166 16.6599 1097.6874 14.6550 1117.3010 16.6982 1144.5609 248.7532 1169.7478 1.4151 1208.7050 1.9563 1251.4431 33.2597 1257.8877 24.1487 1261.9923 0.8158 1270.1649 1.2899 1291.5458 58.3784 1293.7619 162.7740 1304.9850 245.6133 1311.8718 5.1251 1364.5604 9.4726 1413.2052 26.2880 1454.5728 23.2574 1501.6656 2.1048 1515.8174 3.2732 1538.1541 3.4679 1539.7412 3.1037 1612.5034 17.4657 1649.1724 7.7636 1820.0547 303.8546 3075.3402 35.1701 3083.7839 24.9329 3087.6517 21.1967 3104.2575 7.7346 3127.5861 9.9785 3134.6573 15.8203 3148.3603 50.7077 3176.6184 25.2498 3182.6647 20.1294 3219.6398 6.7008 3229.4455 3.5789 > 1.42049 GHz 0.50565 GHz 0.41435 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$