Due to new findings, the default behavior of the F12 programs was changed in the following points:

- For open-shell systems the default wave function ansatz for was
modified. This affects RMP2-F12 and open-shell CCSD-F12 calculations.
The new default generally improves open-shell treatments and leads to
more consistent behavior. The previous behavior can be restored by
`explicit,extgen=0`(for more details see manual).

- The procedure for the construction of complementary auxiliary
basis sets (CABS) and the thresholds were changed. This affects all
non-local F12 calculations. The previous behavior can be restored by
`explicit,ortho_cabs=0,thrcabs=1-7,thrcabs_rel=1e-8` - In numeric frequency calculations, the freezing of auxiliary basis
sets was improved. This can affect calculations where many redundant
functions are deleted.
- Pair energies for the explicitly correlated methods can be printed
using
`print,pairs`If inner-shell orbitals are correlated, the cc, cv, and vv contributions to the correlation energies are also printed.

manual quickstart instguide update basis

molpro@molpro.net 2018-07-22