NIST 08101209283D 1 1.00000 -467.29433 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 15 16 0 0 0 0 0 0 0 0999 V2000 0.7501 3.1774 0.6800 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 2.1657 0.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3199 0.8638 0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9147 2.4317 0.9720 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3856 -0.0605 0.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2004 0.1226 -0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8185 1.4346 0.9223 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6523 0.1753 0.5254 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8617 -1.2275 -0.3135 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5339 -1.1281 -0.6080 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1281 4.0999 0.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1161 3.1223 0.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 0.4406 -0.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8214 1.7047 1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3384 -2.1080 -0.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 9 10 1 0 10 6 2 0 6 3 1 0 3 2 1 0 2 4 2 0 4 7 1 0 7 8 2 0 8 5 1 0 9 5 1 0 3 5 2 0 1 11 1 0 1 12 1 0 6 13 1 0 7 14 1 0 9 15 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. > 2012-08-10 > 2380-63-4 > B3LYP/6-31G* > 2.5445 debye > -467.294327143 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 157.0286 4.1755 208.9240 0.4609 289.9875 5.1768 296.4246 3.0096 336.6172 280.2245 484.2431 24.8744 503.8589 41.6093 521.2730 27.9852 531.0692 13.0025 569.4459 44.0182 613.6192 0.5697 675.1300 11.9365 696.7771 13.8455 723.0142 5.3923 811.8367 33.2568 857.2518 6.6449 906.0797 25.4389 952.5909 59.3575 983.0636 1.8398 1030.9170 5.9109 1101.1391 13.2199 1173.5569 15.0005 1227.2841 6.6887 1294.3697 15.8635 1328.3943 21.3854 1365.2959 31.6093 1386.3922 35.4102 1416.1730 14.8366 1466.1859 3.0635 1514.0196 80.9651 1528.0023 20.7082 1628.8981 107.8739 1644.9941 185.7873 1677.0997 421.7128 3190.4011 31.9297 3254.1480 6.6943 3590.0159 69.1335 3666.3428 90.0098 3710.6534 33.7820 > 2.41324 GHz 1.49343 GHz 0.92283 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$