NIST 07021518123D 1 1.00000 -405.78162 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 24 23 0 0 0 0 0 0 0 0999 V2000 1.4876 1.5080 -0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9632 1.6228 -0.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3705 1.4929 -1.5883 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8029 1.9031 0.6085 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 2.1745 0.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 2.8016 -0.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6164 3.1040 -1.8701 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7209 2.7011 0.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5386 3.6644 0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0699 0.6801 -0.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3772 1.2495 0.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3997 2.0772 1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7706 1.7534 1.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5218 1.6272 -0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2083 3.6353 0.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1087 4.0594 -2.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6117 3.1457 -2.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0515 2.3219 -2.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2949 3.6158 0.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6849 2.5446 1.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2768 1.8635 -0.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6159 3.8159 0.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0217 4.0697 -0.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2254 4.2371 1.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 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 > R50480 > B3LYP/6-31G* > 3.4643 debye > -405.781622883 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 24.9849 1.1480 34.8870 4.0689 59.9182 0.3253 92.8078 1.2546 193.3757 13.0841 217.9317 1.0668 228.2840 2.7034 250.8721 0.7154 308.9940 3.0307 321.2188 0.5365 344.2528 5.4374 405.4114 9.9200 429.7885 2.6187 450.6009 72.4418 465.4439 11.5423 645.0195 5.1595 731.6458 1.8019 789.2800 5.4988 845.8146 2.2788 885.9871 0.5986 925.0357 2.4035 937.6695 2.8842 951.5303 0.7938 969.2101 0.7794 979.0177 0.1646 1074.0718 13.9304 1111.3685 4.3777 1142.9933 17.3506 1146.9452 4.4685 1185.6730 16.7261 1204.5629 6.0638 1240.7045 42.5295 1287.7865 52.5174 1328.5235 1.8068 1346.2346 56.7963 1384.0916 6.6981 1388.2917 16.7121 1409.4125 3.7011 1432.8552 6.6521 1435.9904 8.2853 1452.6301 6.0135 1504.7371 16.0924 1510.1817 2.8562 1518.2687 3.6369 1521.2512 13.8327 1524.8206 5.5788 1531.3426 4.2731 1533.5883 3.8236 1540.0325 7.3054 1560.4607 207.3005 1772.5007 193.8674 3008.3827 20.4073 3036.1835 11.5345 3039.9832 49.7295 3046.4999 27.9306 3048.4449 22.1084 3062.2355 43.0941 3096.3793 1.4404 3100.6103 13.1150 3106.4244 59.7372 3109.7626 24.7631 3110.8966 57.8410 3131.2557 27.3630 3145.1362 16.8225 3148.0892 12.0442 3621.3068 13.6494 > 2.83177 GHz 0.77018 GHz 0.75107 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$