Re: How to get Hessian (in Gamess's format) from Gaussian-92?

From: m10!aefrisch[ AT ]uunet.UU.NET (AEleen Frisch)
Subject: Re: How to get Hessian (in Gamess's format) from Gaussian-92?
Date: Thu, 27 Jan 94 16:27:46 EST

     Dear Netters:
          We are having problems getting the hessian in gamess format
     	from gaussian92.  We used the option Punch=Deriv,Gamess.
     	According to the manual the keyword Deriv will give
     	the energy and the first and second derivatives, however
     	we are having trouble understanding the format that it
     	gives.
 There is currently no way to get the Hessian in Gamess format. Punch=Gamess
 requests Gamess input, and Punch=Deriv requests derivative info, but there
 is no interaction between the two (i.e., the derivatives won't be output
 in Gamess format. The output from Punch=Deriv is in lower triangular order
 (3D20.10 format).
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