[molpro-user] ACPF and frequencies

[Andy May]

Konstantin,

This problem has now hopefully been fixed with patch 2009.1.fixes20.

Best wishes,

Andy

On 22/03/10 10:06, Konstantin Tokarev wrote:
> This job fails with segfault in Molpro 2009.1, but runs successfully in 2006.1
> 
>  memory,30,m
>   
> 
> geometry={
>           c1;
> 	  c2,c1,rcc;}
>   
>  rcc=1.24369752 ang
>  basis=aug-cc-pVTZ
>  {hf;wf,12,1,0;}
>  {multi;closed,1,0,0,0,1,0,0,0;occ,3,1,1,0,3,1,1,0;wf,12,1,0;orbprint,4;maxiter,50;}
>  {acpf;core,0,0,0,0,0,0,0,0;closed,1,0,0,0,1,0,0,0;occ,3,1,1,0,3,1,1,0;wf,12,1,0;maxiter,50;}
>   
>  frequencies,numerical,sym=no
> 
>