From XIENING*- at -*MEENA.CC.UREGINA.CA  Mon Jun 29 00:14:31 1998
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 Sun, 28 Jun 1998 22:14:13 CST
Date: Sun, 28 Jun 1998 22:14:13 -0600 (CST)
From: Ning Xie <xiening:~at~:MEENA.CC.UREGINA.CA>
Subject: G94: frequency calculation
To: chemistry(+ at +)www.ccl.net
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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.


=========================================================================
|  NING  XIE                         Tel: (306)721-0301 (O)             | 
|  Chemistry Department                   (306)585-2184 (H)             |
|  University of Regina              Fax: (306)721-4720                 |
|  Regina, SK                     E-Mail: xiening-: at :-meena.cc.uregina.ca   |
|  Canada   S4S 0A2                                                     |
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