[molpro-user] Molpro-user Digest, Vol 19, Issue 15

Natalia Inostroza natalia.inostrozapino at gmail.com
Tue Feb 16 14:52:41 GMT 2010

I can not check your output, but I think that the problem is in the
correlation to the core. if you check this information,  in both case the
number should be the same...the other alternative is the symmetry is the
same in both cases?

best regards

Dra. Natalia Pilar Inostroza
Instituto de Estructura de la Materia (CSIC)
C\ Serrano 121 28006, Madrid (SPAIN)
Tel: (0034) 91 561 68 00 - ext: 2417
Fax: (0034) 91 564 55 57
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