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In this chapter i collected some calculations which should give a little insight of
possibilities with PC-Gamess and visualizing results with MacMolPlt.
Geometry optimization is a typical run-type in calculations and is origin for many other
calculations like vibration modes, exciting states, potential energy surface, transition
states etc.
There are several problems you can have by searching “optimal” geometry, one of them
is to find a global minimum.
Examples
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