CCL: RES: W:gaussian

 Sent to CCL by: Ian Hovell [HOVELL-*-cetem.gov.br]
 Dear Rafael,
 An analytical frequency calculation can not be restarted. You can use the
 keyword option freq=numer which calls for a numerical frequency calculation
 which you can restart in the event of power cuts etc. It is how ever much
 slower and I believe not so accurate (somebody else might like to comment on
 this)
 Ian
 -----Mensagem original-----
 De: CCL [mailto:owner-chemistry-*-ccl.net]
 Enviada em: quinta-feira, 15 de setembro de 2005 09:58
 Para: Hovell, Ian
 Assunto: CCL: W:gaussian
 Sent to CCL by: "Rafael Carlos Garcias" [rafel.garcias|-|uib.es]
 Dear CCL members,
 I have a problem with my force calcultion. Once I have optimized an
 structure at B3LYP 6-31+g* level I start the force calculation by the
 keyword freq in the optimized structured obtained, but the problem is that
 the calculation finish because I have spent all the calculation time
 avaliable. I've tried to restart the freq calculation by the *.chk but it
 doesn't work. How can I restart the freq calculation or how can I reduce the
 computational time without changing the basis set?
 Thank you