NIST 07181409503D 1 1.00000 -683.59926 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 18 17 0 0 0 0 0 0 0 0999 V2000 -1.1569 -0.2703 -0.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0292 0.4424 -0.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3247 -1.5707 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3622 -0.0604 -0.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0364 1.7521 0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -0.8700 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9335 2.1234 1.0169 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1366 2.5180 0.3278 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3037 -1.6910 -1.9801 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4032 -2.5327 -1.1792 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7008 -2.0780 0.5841 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3931 -0.1873 1.5376 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1175 0.1325 -0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3518 -0.7230 -1.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0321 0.7787 -0.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7664 2.1685 -0.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2945 -2.3876 -0.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2002 0.7725 1.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 13 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 9 2 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 8 16 1 0 0 0 0 10 17 1 0 0 0 0 12 18 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. > 2014-07-18 > 4023-65-8 > B3LYP/6-31G* > 3.6926 debye > -683.599260658 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 63.2644 3.0785 97.8045 1.1147 106.6474 6.4800 152.9101 17.5653 167.8227 6.3428 180.7258 29.2499 195.9297 12.0884 252.2226 3.7102 314.8528 10.3621 356.0460 5.7607 469.0071 1.5658 480.6847 6.3460 526.7244 37.2416 558.0324 65.4716 605.9238 22.8014 639.8909 20.4557 653.1242 0.8653 725.0435 6.4235 758.6952 24.7377 763.3203 156.7452 774.8191 31.2224 843.3751 77.1817 857.5812 22.3489 903.3354 5.3891 905.4740 0.9864 937.7825 15.8162 993.1987 0.0376 1085.6567 21.5001 1200.1818 25.0601 1231.5680 44.4095 1280.5604 72.6735 1309.7397 10.4587 1316.7215 25.3313 1342.4985 337.8694 1360.4402 356.4843 1406.1132 54.4969 1431.2737 460.9332 1521.6492 12.8264 1686.6069 4.5611 1792.0015 150.0189 1823.1971 459.9163 1832.2705 188.0108 3107.6780 3.0140 3168.4457 0.5026 3189.6657 2.4261 3365.9843 469.4190 3481.4211 339.1386 3727.1043 39.4681 > 1.13677 GHz 0.81856 GHz 0.50199 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$