Subject: Gaussian 94 Question...

From: "Nathan A. Baker" <[email-masked]>
Date: Fri, 15 Aug 1997 12:28:34 -0700 (PDT)

Hi -- I am trying to perform a NMR analysis of a molecule by reading in 
the wavefunction from a checkpoint file.  I do not want Gaussian 94 to 
recompute the wavefunction, simplu calculate the shielding tensors.  I 
was wondering if ayone had suggestions as to how this may be 
accomplished.  I've tried

%Chk=file
%NoSave
#Guess=(Read,Only) NMR

title

0 1
coordinates

but I immediately receive an error that NMR calculations can only be 
performed on single points. 

The input file

%Chk=file
%NoSave
#Guess=Read NMR

etc.

will read in the molecule and estimate the nuclear repulsion energy, 
one-electron integrals, etc., but just after printing the smallest 
eigenvalue of the overlap matrix, the program terminates with the error:

RdChkP: Unable to locate IRWF=0 Number= 522. 
 Error termination via Lnk1e in /usr/local/g94/l401.exe.

Any ideas?

Thanks in advance.

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Nathan Baker * [email-masked]

HELP! MY TYPEWRITER IS BROKEN!
	-- E. E. CUMMINGS
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