NIST 06221416193D 1 1.00000 -365.22633 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 19 19 0 0 0 0 0 0 0 0999 V2000 -5.3773 -0.6426 -0.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1622 -0.6159 -0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3043 -0.4906 -1.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3663 -0.7109 1.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1772 0.5392 -1.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 0.3318 1.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4002 0.2467 0.0012 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 1.1013 0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9440 -0.2343 -2.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8492 -1.4722 -1.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0476 -0.6022 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9165 -1.7128 1.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6130 1.5591 -1.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5048 0.5111 -2.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6065 0.1526 2.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6743 1.3442 1.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4057 0.9674 -0.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3612 0.8179 0.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4722 2.1776 0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 7 8 1 0 7 6 1 0 6 4 1 0 4 2 1 0 2 3 1 0 3 5 1 0 7 5 1 0 3 9 1 0 3 10 1 0 4 11 1 0 4 12 1 0 5 13 1 0 5 14 1 0 6 15 1 0 6 16 1 0 8 17 1 0 8 18 1 0 8 19 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. > 2014-06-22 > 1445-73-4 > B3LYP/6-31G* > 3.0057 debye > -365.226329052 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 79.1076 3.3800 185.4104 1.1409 198.7530 2.8556 250.6097 0.4689 361.0848 0.0106 367.4274 3.2303 394.2670 3.0027 441.8693 10.0537 499.5888 1.5213 510.9109 4.2516 699.8823 0.8757 762.0125 9.5660 787.7379 5.7795 804.7465 7.2653 943.0446 0.6718 997.4594 0.6873 998.6070 0.7160 1026.1486 8.4759 1087.1278 13.4012 1109.3988 13.2494 1160.2434 14.3686 1171.1308 7.1972 1173.1132 37.3393 1197.6876 5.5609 1260.6842 28.1405 1262.1522 24.0900 1317.7805 24.0283 1330.1706 6.8332 1352.6389 7.4461 1367.8420 5.0836 1402.2421 14.6515 1429.7265 46.1208 1479.8539 7.7179 1486.2275 0.2926 1490.6429 8.7668 1517.4251 14.4032 1524.1524 1.1022 1538.1740 2.8752 1545.5891 5.4240 1823.0568 194.6437 2912.2312 26.5762 2918.1802 79.9705 2945.9811 124.8651 3041.8095 0.2358 3047.3126 21.6381 3078.0227 11.5745 3079.5613 42.3308 3084.2097 51.7598 3123.0548 30.7150 3125.2542 19.2315 3126.4529 13.8559 > 4.32182 GHz 1.48728 GHz 1.19260 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$