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** Next:** 11.3 The basis set
** Up:** 11 BASIS INPUT
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##

11.2 Cartesian and spherical harmonic basis functions

MOLPRO uses spherical harmonics (, , etc) by default,
even for Pople basis sets like `6-31G**`.
This behaviour may be different to that of other programs;
However, cartesian functions can be requested using
the `CARTESIAN` command.

`CARTESIAN`

If this command is encountered, the logical MOLPRO variable `CARTESIAN` is set
to true (1.0), and all subsequent calculations use cartesian basis functions. This
is remembered across restarts. One can switch back to spherical harmonics
using the command

`SPHERICAL`

molpro@molpro.net 2017-12-11