Gaussian 03 Online ManualLast update: 2 October 2006 | |

## TestMOThe
cutoffs used in computing and storing integrals and the convergence criteria applied
in SCF and CPHF calculations are appropriate for most molecules and basis sets.
However, if a nearly linearly dependent basis set is used, very large MO coefficients
may occur and in combination with the finite accuracy of other terms lead to substantial
numerical errors. By default CPHF and post-SCF calculations are aborted if any
MO coefficient is larger than 1000. (Note that this corresponds to a coefficient
of 10 |