NIST 07091514523D 1 1.00000 -442.43737 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 22 22 0 0 0 0 0 0 0 0999 V2000 6.3234 1.8612 -0.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8710 0.6121 -0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 2.0624 -0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9837 -0.4529 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3696 0.4266 -0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6054 -0.2431 -0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5688 -1.8208 0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0610 1.0102 -0.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5642 1.2010 -0.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5799 -2.8712 0.5329 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8014 -3.7073 0.7376 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9929 2.6949 -0.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5536 3.0493 -0.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8855 1.3616 -0.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7133 0.1040 0.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7160 -0.3302 -0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9345 -1.0734 0.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2211 -2.1700 -0.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2154 -1.7492 1.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0448 0.6226 0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2886 2.2535 -0.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1711 0.8699 -1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 12 1 0 0 0 0 2 5 1 0 0 0 0 2 4 2 0 0 0 0 3 13 1 0 0 0 0 4 7 1 0 0 0 0 4 6 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 8 2 0 0 0 0 6 17 1 0 0 0 0 7 10 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 3 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 11 3 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. > 2015-07-09 > 16213-85-7 > B3LYP/6-31G* > 3.8193 debye > -442.437370310 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 29.8933 0.3894 46.1648 6.5358 119.4694 5.4312 129.9835 0.2984 168.5626 0.0049 189.5780 5.5066 261.2320 0.8427 291.1138 0.3800 317.0492 0.2011 376.8034 0.6250 418.6847 1.6483 450.0701 3.8553 468.9846 0.2983 496.5235 0.7396 549.2135 1.7358 619.7339 0.4366 718.0127 0.5669 723.6590 0.1096 793.3162 0.1034 829.4230 18.2167 899.8856 0.6676 938.2057 1.9777 954.1388 0.4646 969.7196 1.6760 972.7874 4.2318 1022.3900 3.1519 1044.0781 2.7315 1071.8774 0.9000 1077.1216 10.3217 1127.6089 2.8887 1190.7445 2.0081 1246.4694 2.2393 1253.8160 0.0987 1265.2783 1.4076 1319.6728 3.3106 1339.1980 0.7100 1367.1391 1.6395 1442.9275 0.0005 1446.9193 0.0153 1459.0544 3.1414 1488.7739 6.6477 1517.3101 2.2454 1517.5870 7.2078 1518.8664 5.2384 1529.1112 20.5784 1550.3733 20.5928 1631.3289 3.2724 1676.3765 7.1128 2371.6087 7.8319 3032.2176 29.6805 3034.2354 13.2190 3042.7203 27.5336 3061.0076 5.4116 3077.2117 20.4876 3099.7292 19.7567 3126.9689 15.4714 3129.1629 19.0714 3175.0517 12.5927 3190.0927 12.7901 3192.9747 18.3330 > 1.36754 GHz 0.94519 GHz 0.56475 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$