Subject: frequency calculations using MP2 in Gaussian

From: Dario Narducci <[email-masked]>
Date: Tue, 17 Sep 2002 14:47:07 +0200

Hello to everybody,

I'm using Gaussian98 (Linux, 64 MB RAM, more than 2 GB of avail. HD).
Trying to compute vibrational spectra using RHF/MP2 (direct) I get the 
following error message :
"Erroneous write during file extend. write 237567 instead of 4096  Probably 
out of disk space" after which the job dies.

My input file is:
%nproc=2
%mem=15MW
#p MP2/6-31G** FREQ=NoRaman

When trying to use instead MP2(Fulldirect) the message changes into "Cannot 
use MP2=Incore or MP2=FullDirect for this calculation."

As, when I use this option for an optimization run, it works well, I wonder 
how I could menage to compute vibrational frequencies with MP2.

Any suggestion welcome. Thanks

  ================================= oOo ==============================
                Prof. Dario Narducci, Univ. of Milano Bicocca
         Dept. of Materials Science, v. R. Cozzi 53, I-20125 Milano
     ph. +39-02-6448-5137, fax -5400, mailto:[email-masked]
                      http://www2.mater.unimib.it/narducci/
  ================================= oOo ==============================