Subject: G92 problem?

From: [email-masked] (Magda Wajrak)
Date: Tue, 14 Dec 93 10:20:19 WST

Dear G92 users,

I am having problems with running G92 job. The job involves firstly
optimizing a geometry using MP2 theory (MP2=Full) with a general basis set
of DZP quality and then using --Link-- to take the optimizated geometry and
do a frequency calculation on this geometry. The first part of the job runs
alright, but when the frequency job starts, after SCF calculation I get the
following error and job collapses:

"File extend in NtrExt1 failed. "

My input file is as follows:

$ RunGauss
%chk=test
#P mp2=full/gen 6d SCFConv=6 opt optcyc=100 

MP2 geometry optimization 

0 1
Z-Matrix here

Basis set here
****

--Link1--
$ RunGauss
%chk=test
#P mp2=full/gen 6d freq geom=checkpoint guess=check

MP2 frequency job 

0 1

Basis set here
****

What is happening, is my input wrong? But I did a test with h2o molecule
and it worked alright.

Magda Wajrak
(Ph.D. student)

University of Western Australia
email:  [email-masked]