PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
dimethyl zinc
3709 Dimethyl zinc
(Previous)
(Back)
(Next)
ΔHf: 12.7 kcal/mol, REF: D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, R. L. Nuttall, J. Phys. Chem. Ref. Data Suppl. 11, 2 (1982).
Dipole: 0.4 Debye, REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
I.P.: 9.4 eV, REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
SYMMETRY PM7
Dimethyl zinc
I=9.4 H=12.67 HR=WEPS1982 IR=LLNBS82 D=0.4 DR=MCC1974
Zn 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.99699178 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.99699178 +0 180.0000000 +0 0.0000000 +0 1 2 0
H 1.07906977 +1 108.4851608 +1 0.0000000 +0 2 1 3
H 1.07906977 +0 108.4851608 +0 -60.0000000 +0 3 1 4
H 1.07906977 +0 108.4851608 +0 120.0000000 +0 2 1 4
H 1.07906977 +0 108.4851608 +0 -120.0000000 +0 2 1 4
H 1.07906977 +0 108.4851608 +0 180.0000000 +0 3 1 4
H 1.07906977 +0 108.4851608 +0 60.0000000 +0 3 1 4