NIST 08031215053D 1 1.00000 -270.55746 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 14 13 0 0 0 0 0 0 0 0999 V2000 35.0073 31.0199 -0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7777 30.1912 0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 36.2299 30.4752 0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4537 30.9293 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8225 28.9845 0.3004 O 0 0 0 0 0 0 0 0 0 0 0 0 37.5245 31.2125 -0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8824 32.0892 -0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 36.2809 29.3995 0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 32.3892 31.7107 0.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 32.3706 31.4319 -0.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 31.6267 30.2274 0.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 37.3749 32.2835 -0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 38.1340 31.0861 0.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 38.1202 30.8098 -0.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 2 4 1 0 2 5 2 0 3 6 1 0 1 7 1 0 3 8 1 0 4 9 1 0 4 10 1 0 4 11 1 0 6 12 1 0 6 13 1 0 6 14 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. > 2012-08-03 > 3102-33-8 > B3LYP/6-31G* > 2.9084 debye > -270.557456340 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 98.8858 1.7224 121.0572 0.0999 180.4748 2.9744 194.6582 0.1069 214.3904 0.2270 380.1183 2.9766 409.8124 2.4079 575.4094 3.5290 611.7919 19.7197 807.9153 0.0834 877.5866 10.0047 945.4736 40.9409 993.3461 3.1894 1016.0673 27.4194 1055.1836 2.9248 1089.9055 0.5567 1143.0042 0.6950 1211.2536 83.3482 1329.6808 40.4027 1354.5497 20.7859 1410.7841 42.6134 1437.6026 0.9121 1494.8865 11.5191 1503.4755 10.2012 1506.3515 4.9209 1513.2982 29.5870 1705.8850 164.3281 1793.2576 97.4182 3035.3519 18.3683 3044.6273 3.3756 3082.1654 15.9072 3100.3345 12.5499 3125.3829 15.5919 3162.7933 8.5641 3168.4789 12.5398 3172.0459 13.0373 > 9.14198 GHz 1.85238 GHz 1.57017 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$