Joao Otavio M A Lins <jomal ^at^ chaer.iq.ufrj.br>
Date:
Tue, 12 May 1998 17:02:04 GMT
Subject:
CCL: Re:Cannot optimize phenylferrocene
Dear Yubo,
In my opinion, if you wish to optimize all geometric
parameters it is better to use cartesian coordinates rather than
Z-matrix. The z-matrix must be misdefined.
-Joao
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