G94 Opt=QST2 Help
I am currently working on a project to model hetero Diels-Alder
Transition states so that I can use the parameters as part of an MM2
forcefield for further calculations. I am using Gaussian 94 to rhf/6-31g* level
and
from previous discussions on the list I have found my way to the
obsolete LST command and the Opt=QST2 commands. I haven't got the
manual to hand but as I remember, you first input the z-matrix for
the starting material and then a space between that and the z-matrix
for the finishing product.
The problem I have is how do you input the z-matrix for "starting
product" or can you put the 2 starting products in and then the end
product?
Would it be possible to mail me an example?
Apologies if I am being incredibly dim but I am new to this!
Thanks in advance.
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From Carl Mark Windsor University of Manchester Institute
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