LiH, BeH₂, BH₃, CH₄, NH₃, H₂O, HF

Upper table:  Parametrized with G2-Energies from Curtiss, Raghavachari, Redfern & Pople, JCP 106,1063(1997). The atomization energies at 0 Kelvin (D0) are within 0.1 kcal/mol of the G2 values and within 0.2 kcal/mol of the experimental values (where available). Bondlengths are within 0.01 Angstroms, bondangles within 1-2 degrees of the experimental values. The parameters found can be transported to the classes of hydrocarbons, organic amines, alcohols, fluorocarbons with only small loss of precision. Lower table is the same parametrization with G3-Theory from Curtiss,Raghavachari, Redfern & Pople, JCP 109,7764(1998).