Subject: A (silly) problem with G94

From: Slawomir Janicki <[email-masked]>
Date: Thu, 30 Jan 1997 03:25:22 -0600

I am trying to set up a G94 job with some geometry constrains. Here are first few lines from my input file:

%chk=t_0deg.chk
%int=t.int
%d2e=t.d2e
%rwf=t.rwf
%mem=2000000
#p ub3pw91/6-31g* Opt=AddRedundant scf=direct

However, G94 does not accept these keywords. Here is the relevant part of the output file:

 **********************************************
 Gaussian 94:  IBM-RS6000-G94RevB.3 30-May-1995
                  30-Jan-1997
 **********************************************
 %chk=t_0deg.chk
 %int=t.int
 %d2e=t.d2e
 %rwf=t.rwf
 %mem=2000000
 ---------------------------------------------
 #p ub3pw91/6-31g* Opt=AddRedundant scf=direct
 ---------------------------------------------
  QPERR --- A SYNTAX ERROR WAS DETECTED IN THE INPUT LINE.
 #P UB3PW91/6-31G* OPT=ADDREDUNDANT SCF=D
                       '
 Last state="OPT1"
 TCursr= 4052 LCursr=  22

What is wrong about using AddRedundant? Isn't it a perfectly legitimate keyword?

Slawek Janicki
[email-masked]