# ROHF and SCRF in G98

Hallo everybody,
I try to do some geometry optimization of open-shell molecules in
solvent.
The geometry optimization of the coresponding closed-shell molecules are
without any problem, and the geometry optimization of the open-shell
molecule without solvent runs without any problem as well.
But I seems there is a problem in the calculation of the gradient when
both ROHF and scrf=(cpcm,solvent=water) are used at the same time.
I have experienced this with several molecules. The error message is
the following:
NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-
NUMERICAL EIGENVECTOR FOLLOWING MINIMUM SEARCH
INITIALIZATION PASS
************************************************
** ERROR IN INITNF. NUMBER OF VARIABLES ( 0) **
** INCORRECT (SHOULD BE BETWEEN 1 AND 50) **
************************************************
Has someone an idea about what I have to do?
Thanks in advance
Helene BOLVIN
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Hélène BOLVIN
Institutt for kjemi tlf: (+47) 77 64 40 61
Universitetet i Tromsø fax: (+47) 77 64 47 37
N-9037 TROMSØ
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