Accuracy
The exact energy of the 1s electron of H atom is -0.5 hartree, given by a single Slater-type orbital with exponent 1.0. The following table illustrates the increase in accuracy as the number of primitive Gaussian functions increases from 3 to 6 in the basis set.
| Basis set | Energy |
| STO-3G | -0.49491 |
| STO-4G | -0.49848 |
| STO-5G | -0.49951 |
| STO-6G | -0.49983 |
Read more about this topic: STO-n G Basis Sets
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