[molpro-user] RHF not converged

[Benjamin Fitzpatrick]

Son,
You should try running the HF with a smaller basis set and then follow that
with the aug-cc-pvdz HF calculation. When I use 6-31g(d) initially both
calculations converge nicely.
Thanks,
Benj FitzPatrick

...
basis=6-31g(d)
{hf;wf,47,1,1;}
basis=avdz
{hf;wf,47,1,1;}
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