Subject: G94: frequency calculation

From: Ning Xie <[email-masked]>
Date: Sun, 28 Jun 1998 22:14:13 -0600 (CST)

Hi, there,

I'm wondering if the frequency calculation in g94 must be performed in the
second step of the calculation. If I have the check point file, can I do a
separate frequency calculation (without optimizing the structure again
because it takes too long). I used the following lines in my .com file and
the program stopped  short after it started because of "Error termination
in NtrErr: NtrErr called from FileIO":

$ RunGauss
%mem=8000000
%chk=chkfile
# HF/LANL2DZ Freq=(ReadFC, ReadIsotopes) Geom=AllCheck Test

Thank you for your time and help.

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|  NING  XIE                         Tel: (306)721-0301 (O)             | 
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|  Canada   S4S 0A2                                                     |
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