Program (runtype: optimize) | Model Chemistry, Basis | Total energy (V/T) |
KIMBALL (standard parameters) | "Spherical Clouds", homogeneous density | -309.2666 (-2.00004) |
Gaussian 94W | RHF/STO-3G | -307.30794 (-2.0118) |
Gaussian 94W | RHF/6-21G | -311.14186 (-2.0006) |
Gaussian 94W | B3LYP/6-311+G(3df,2p) | -311.62472 (-2.0027) |
Program |
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KIMBALL |
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G94W/RHF/STO-3G |
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G94W/RHF/6-21G |
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G94W/RHF/6-31+G(D) |
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