I now have one more problem during the next step, which consists to restart the calculation to obtain the Raman spectrum. In my previous calculations using CPHF I was using the sequence:
FREQCALC
RESTART
INTENS
DIELTENS
5.30029 -0.00000 -0.00000
0.00000 5.30029 -0.00000
0.00000 -0.00000 5.30029
IRSPEC
DAMPFAC
5.0
GAUSS
ENDIR
ENDFREQ
and it was working perfectly, but here I have the following error message:
RESTART FROM AN INCOMPLETE HESSIAN MATRIX
ERROR **** RESTHES **** RESTART DATA WAS OBTAINED WITH CPHF, USE INTCPHF
Is it possible that the RESTART when using NOINTSYM in the INTCPHF block must be different? I didn't find any lines about NOINTSYM in the USERGUIDE.
Best regards
Xavier