Optimization of Basis Sets (SCF only)

For this task you have to specify:

$optimize              
  basis     on   
  internal  off

This example would perform only a basis set optimization without accompanying geometry optimization. It is possible, of course, to optimize both simultaneously: Just leave out the last line of the example (internal off). Input data groups are:

$egrad

Basis set exponents, contraction coefficients, scaling factors and their respective gradients as provided and accumulated in subsequent optimization cycles by one of the programs grad or mpgrad, if $drvopt basis on has been set.

$basis

Description of basis sets used, see Section 4.2.

Output will be the updated basis on $basis, and the updated force constant matrix on $forceapprox.

For an example, see Section 16.5.