Program (runtype: optimize) | Model Chemistry, Basis | Total energy (V/T) |
KIMBALL (standard parameters) | "Spherical Clouds", homogeneous density | -203.7909 (-2.00009) |
GAMESS (for PC) + Virial scaling | RHF/STO-3G | -201.92153 (-2.0000007) |
GAMESS (for PC) + Virial scaling | RHF/6-31G | -204.521945 (-2.0000004) |
Gaussian 94W | RHF/STO-3G | -201.91560 (-2.0107) |
Gaussian 94W | RHF/6-31G | -204.521940 (-1.9997) |
Gaussian 94W | B3LYP/6-311+G(3df,2p) | -205.785981 (-2.0032) |