PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
germanium oxide
3881 Germanium oxide
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ΔHf: -11.0 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: 3.3 Debye, REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
I.P.: 11.2 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.
UHF FIELD=(0.01,0.02,0.03) PM7
Germanium oxide
H=-11.04 HR=WEPS1982 I=11.25 IR=LLNBS82 D=3.28 DR=MCC1974
Ge 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.56356473 +1 0.0000000 +0 0.0000000 +0 1 0 0