NIST 06101403353D 1 1.00000 -273.93669 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 19 18 0 0 0 0 0 0 0 0999 V2000 0.1673 -0.0999 -0.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2137 0.6608 -0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3766 0.1528 0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4538 0.8526 0.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7365 2.3191 0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0659 2.5939 -0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 2.1397 -1.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6841 0.3112 -1.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1297 -1.1619 -0.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2016 1.7186 -0.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 -0.9128 0.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2351 0.3038 1.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9182 2.8190 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7908 2.7889 1.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2771 3.6702 -0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8835 2.0958 0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0276 2.3482 -2.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8713 1.0644 -1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2871 2.6596 -2.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 1 8 1 0 1 9 1 0 2 10 1 0 3 11 1 0 4 12 1 0 5 13 1 0 5 14 1 0 6 15 1 0 6 16 1 0 7 17 1 0 7 18 1 0 7 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. > 2014-06-10 > R147254 > B3LYP/6-31G* > 0.4960 debye > -273.936694939 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 37.9663 0.0263 109.7865 0.0049 137.2444 0.1218 186.2034 0.2346 221.2981 0.1379 292.3641 0.4127 350.5717 0.0102 378.2082 3.6315 454.9778 3.6948 623.9290 6.2665 672.2612 11.3768 780.9123 5.8880 808.6166 4.4118 872.7996 4.6008 913.7574 0.1383 914.8743 0.2918 923.7321 42.2281 982.3151 3.4892 998.1321 2.1314 1046.5738 10.2824 1073.7116 2.5262 1101.2810 7.1417 1112.6971 1.9869 1204.6310 2.0756 1262.0644 0.1064 1298.0411 0.9868 1313.5930 2.0109 1335.6380 1.9527 1373.0826 7.1009 1392.8632 8.1079 1421.0227 0.2479 1443.0103 4.2957 1492.6227 5.9437 1510.6653 3.8699 1519.7249 0.7008 1529.5899 9.3806 1537.4384 2.8714 1677.4952 1.1401 1729.0604 6.8410 3014.9279 24.0953 3032.9349 49.2984 3045.4983 22.5285 3063.8442 25.4016 3086.1650 19.3148 3109.0435 46.1609 3120.1273 43.4679 3132.0223 10.4912 3154.2240 21.6186 3161.1961 20.0440 3175.1161 15.9384 3244.7805 18.5211 > 5.21353 GHz 1.20214 GHz 1.10073 GHz > Gaussian 09, Revision D.01 > Sonia Dermer $$$$