Subject: prop=EPR for ghost atoms

From: "W. M. Westler" <[email-masked]>
Date: Mon, 02 Dec 2002 10:20:12 -0600

I am calculating the hyperfine tensor by using the prop=EPR keyword in 
Gaussian 98 (A.9). I want to add ghost atoms (Bq) to the molecule and 
calculate the hyperfine tensor at those sites. The output of EPR only gives 
values for the atoms in the molecule and not the ghost atoms. In Gaussian 
94, using prop=EFG IOp(6/17=2,6/26=4), which is equivalent to EPR, gives 
the hyperfine tensor for both atoms and ghost atoms. Is there any way to 
get the hyperfine tensor for ghost atoms in G98 (prop=EFG 
IOp(6/17=2,6/26=4) gives the same results as prop=EPR )?
  -- Milo

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