[molpro-user] ACPF and frequencies

Konstantin Tokarev annulen at yandex.ru
Mon Mar 22 10:06:17 GMT 2010


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


-- 
Regards,
Konstantin



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