symmetry line in GAMESS

[Rudy Gostowski <gostowskir %-% at %-% apsu01.apsu.edu>]

 Here is a summary of the responses I received:
 You have two choices;
 (1) put C1 where it says, 'put symmetry info here', and remove the
 following blank line.
 (2) Identify the symmetry unique atoms, and reorient with respect to
 GAMESS coordinate system (principal axis is Z, etc, from teh input section
 of the manual), then delete the redundant atoms.
 Unfortunately, it won't auto-orient or identify symmetry unique atoms, so
 it's up to you to do so.
 Frederick P. Arnold, Jr
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 If you want to use C1 symetry just put C1 on that line and remove the blank
 line. For all other symetry groups leave the blank line and the group name
 goes to something like cnv 2. Please refer to section 2 of the GAMESS
 manual for more information (the manual is available from
 http://www.msg.ameslab.gov/GAMESS/)
 Brett Bode
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 Assuming your molecule is C1 (i.e., no symmetry) put C1 on that line &
 no blank between it & first atom card.  If there is symmetry, give it on
 that line & put a blank in between the sym line & the 1st atom card.
 Tom Cundari
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 Have a look at the gmshelp (INPUT.DOC) file on $DATA.
  Y. Tantirungrotechai
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 the molecular symmetry must be given in the line "Put symmetry info
 here"
 as a Schoenfliess symbol,
 e.g. "CS" or "CNH 4" for C4h-Symmetry. If there is no
 symmetry, this line
 and the following blank line (!) must be omitted. You can find more
 information at the Gamess Homepage
 http://www.msg.ameslab.gov/GAMESS/GAMESS.html
 Michael Meyer
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 If there is no symmetry, the point group is of course C1.
 I'd suggest you download a copy of the GAMESS manual at their website:
 www.msg.ameslab.gov/GAMESS/
 Michael D. Bartberger, Ph.D.
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  I afraid you might receive many replies suggesting "manual
  reading" or even RTFM. OK, nevertheless let's start.
 > Using BABEL the following input file was created.
 > Should any other changes be made before this file can be used ?
  Yes! The proper header must be added. One should indicate
  the job type (geometry optimization, energy, etc.), basis set,
  and other depending on the interest.
  Babel just converts coordinates, without any prior knowledge
  about the execution control parameters.
  The easiest way is to look to the standard GAMESS input files
  (test01.inp - test30.inp) and copy appropriate header.
 > Must the "Put symmetry
 > info here" line be replaced with some symmetry info ?
  The message must be deleted. Only standard symmetry keywords
  can appear on this line.
 > Can it be left blank
 > ?  What if the molecule has no symmetry ?
   If the molecule has no symmetry C1 group should be used instead
   and the next empty line should be removed.
  Finally, GAMESS test files is a good thing to start with and
  a manual is the best thing to continue.
 Valentin P. Ananikov
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 Rudy Gostowski
 Department of Chemistry
 Austin Peay State University
 Box 4547
 Clarksville, TN  37044
 931-648-7624
 FAX 931-648-5996
 gostowskir %-% at %-% apsu01.apsu.edu