Subject: Freq Calculation with Gaussian

From: Txema Mercero <[email-masked]>
Date: Thu, 02 May 2002 17:04:02 +0200

Hi there,

I am Performing a Freq calculation for a molecule with 23 atoms, C2v 
symmetry, and 467 basis set.
The problem is that it seems it is not going to finish ever .... , it is 
in the following step:
-------------------------------------------------------
           Differentiating once with respect to nuclear coordinates.
  Integrals replicated using symmetry in FoFDir.
  MinBra= 0 MaxBra= 3 Meth= 1.
  IRaf=       0 NMat=  12 IRICut=      12 DoRegI=T DoRafI=T ISym2E= 2 
JSym2E=2.
           There are  24 degrees of freedom in the 1st order CPHF.
   24 vectors were produced by pass  0.
  AX will form  12 AO Fock derivatives at one time.
   24 vectors were produced by pass  1.
   24 vectors were produced by pass  2.
   24 vectors were produced by pass  3.

.....

    1 vectors were produced by pass213.
    1 vectors were produced by pass214.
    1 vectors were produced by pass215.

---------------------------------------------------------------

I have been using Gaussian fo a while an I have never seen a claculation of
these type taking soo long. Does anybody have an explanation or similar 
experience?

Txema Mercero
Euskal Herriko Unibertsitatea