CCL:G: Transition state optimization with Gaussian 03 and frozen atoms

["Yang, Zheng" <yang.zheng79-.-gmail.com>]

 Yes, you can freeze the geometry by adding 'constants' to the end of the
 input file. For example:

# HF/6-31G(d) Opt Test
Partial optimization
 for water
0 1
O
H1 O R
H2 O R H1 A
Variables:
 R 1.0
Constants:
A 105.4

2009/7/24 Ben Janesko bjanesko * rice.edu <owner-chemistry+*+ccl.net>

Sent to CCL by: Ben Janesko [bjanesko_+_rice.edu]
Hello. I would like to optimize the transition state of a reaction on a
metal cluster. I want to freeze the cluster geometry. Is this possible
with Gaussian 03? It doesn't appear to work with the QST2 and QST3
methods.

 Ben Janesko



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