Subject: Having problems restarting a transition state search at a specifi c step using Gaussian 98W

From: Gerry Tanoury <[email-masked]>
Date: Mon, 24 Jul 2000 13:45:18 -0400

I am involved in a transition state geometry optimization using Gaussian
98W.  The optimization was proceeding well, but took a wrong step after step
10.
I killed the job and wanted to restart the job at step 10 with an initial
force calculation.  The checkpoint file was saved as: Mg synchairTS
321G.chk.
I used the following in the route section to restart the calculation from
the checkpoint file.:

# opt(calcfc,ts,noeigentest) rhf/3-21g* geom(connectivity,check,step=10)

However, I obtained an error message and the following message in the output
file:
 
Redundant internal coordinates taken from checkpoint file:
 Mg synchairTS 321G.chk
 Z-Matrix unexpectedly found in input stream.
 Error termination via Lnk1e in d:\G98W\l101.exe.

I have not been able to get past this. I would appreciate your help.  I
assume this is just a simple syntax error that I cannot seem to correct.

Thank you for your help,

Gerald J. Tanoury
[email-masked]