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DHf: 12.0 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 0.4 Debye, REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 8.8 eV, REF: D. W. Turner, C. Baker, A. D. Baker, C. R. Brundle, "Molecular Photoelectron Spectroscopy," Wiley-Interscience, London, 1970.
SYMMETRY Toluene I=8.82 HR=C&P1970 D=0.36 H=11.99,0.10 IR=TBBB1970 DR=NLM1967 C -0.00997463 +1 -0.0015231 +1 -0.0000930 +1 0.0000 C 2.79787104 +1 -0.0096765 +1 -0.0012704 +1 0.0000 C 0.69635100 +1 1.2055923 +1 0.0410044 +1 0.0000 C 0.68930681 +1 -1.2109956 +1 -0.0416784 +1 0.0000 C 2.09215830 +1 1.2048435 +1 0.0406317 +1 0.0000 C 2.08705695 +1 -1.2186939 +1 -0.0423481 +1 0.0000 H -1.09719779 +1 0.0021777 +1 0.0002893 +1 0.0000 H 0.15466169 +1 2.1496180 +1 0.0735817 +1 0.0000 H 0.14334405 +1 -2.1525875 +1 -0.0736970 +1 0.0000 H 2.63556968 +1 2.1465054 +1 0.0727064 +1 0.0000 H 2.62170344 +1 -2.1652386 +1 -0.0748682 +1 0.0000 C 4.29298589 +1 0.0008142 +1 -0.0016847 +1 0.0000 H 4.68822161 +1 0.4932505 +1 0.8985801 +1 0.0000 H 4.72735404 +1 -1.0061093 +1 -0.0329544 +1 0.0000 H 4.68721477 +1 0.5478562 +1 -0.8700774 +1 0.0000