Program (runtype: optimize) | Model Chemistry, Basis | Total energy (V/T) d(BF) |
KIMBALL (standard parameters) | "Spherical Clouds", homogeneous density | -323.6027 (-2.00000) 1.310 |
Gaussian 94W | RHF/6-21G | -322.73052 (-2.0014) 1.3317 |
Gaussian 94W | RHF/6-31+G(D) | -323.20893 (-2.0026) 1.3022 |
Gaussian 94W | CBS-4 | -324.29112 (-2.0012) 1.3285 |