NIST 06301517503D 1 1.00000 -269.14238 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 18 17 0 0 0 0 0 0 0 0999 V2000 0.4261 2.0340 0.7739 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 2.6793 1.5176 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7143 1.8156 1.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4190 1.1754 0.7639 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2581 0.7268 2.9583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5978 2.7354 2.7218 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0038 1.2916 1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 1.6008 -0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8897 3.4989 0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 3.1476 2.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 1.9460 0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2943 0.5969 1.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7597 0.4915 0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1112 0.1300 3.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7822 1.1780 3.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 0.0358 2.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4179 2.2258 3.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9551 3.4504 2.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 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. > 2015-06-30 > 811-93-8 > B3LYP/6-31G* > 2.2891 debye > -269.142384439 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 113.0459 1.4086 232.2459 11.0971 250.4479 7.5988 270.2665 6.6389 287.5760 20.3202 307.2376 29.5820 348.3811 15.9433 365.9858 7.4419 425.6411 3.4464 449.3816 6.6450 515.2513 10.6665 728.6552 21.4866 858.2849 35.3455 871.7939 153.5424 903.2149 130.3236 938.8849 7.5521 946.5190 57.2905 986.4783 15.7647 1024.1143 9.4229 1084.8788 7.7027 1120.8287 3.2329 1166.9910 8.9208 1235.5421 17.5455 1286.2284 16.1001 1361.7027 0.3453 1389.2332 3.3868 1413.8726 1.2861 1422.4448 9.9902 1444.5086 6.6885 1507.0190 0.2276 1510.9057 0.2171 1522.0236 0.1058 1536.3415 6.2980 1538.9319 7.8599 1693.3467 24.8349 1701.0633 19.6931 3026.5234 37.8469 3030.8927 40.2036 3044.5495 11.6062 3092.0344 19.7258 3095.5591 22.6544 3098.0737 30.4551 3105.0324 63.2746 3126.4478 28.8105 3439.7328 4.1389 3475.2945 1.3506 3523.1980 2.0742 3563.0425 0.3797 > 4.37016 GHz 2.54592 GHz 2.54127 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$