Subject: scrf, pcm and readradii

Date: Mon, 1 Apr 1996 16:03:21 +0100 (BST)

Dear Maricel,

we had the same problem and mailed Gaussian.  I am enclosing their reply.
Hope it is of some use!

regards,
Richard.

>From [email-masked] Wed Nov 29 13:39 GMT 1995

  The relevant option, SCRF=(PCM,ReadRadii), was inadvertently omitted
in the initial release.  This has been repaired in Rev. C but you can
get the functionality with,

  # SCRF=PCM IOP(1/43=111) 

which will let you specify pairs at the end of the input and use the
defaults for any omitted.  If you prefer the defaults for any omitted.
If you prefer you can use IOP(1/43=211) which lets you use the atom
sequence number, omit any dummy atoms when counting, so that you can
have different radii on atoms of the same type.

  Douglas J. Fox
  Director of Technical Support
  [email-masked]

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   Richard Hall

1) Computational Chemistry Support          email:  [email-masked]
   Manchester Computing                       tel:  (0161) 275 7179
   University of Manchester
   Manchester, UK,  M13 9PL

2) Department of Chemistry                  email:  [email-masked]
   University of Manchester                   tel:  (0161) 275 4686
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