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Appendix A. Keyword Reference |  |
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Appendix A. Keyword Reference | |
MPG — Find molecular point groups and list tolerances.
MPG
The MPG keyword will compute the molecular point group symmetry (method contributed by David Danovich) for the initial and optimized geometry at a number of tolerances and list these in the file. The user may input a specific tolerance for determining correct point group using the MPGCRT keyword and listed after the standard tolerances.
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Copyright © 1992-2013 Semichem, Inc. All rights reserved. |
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MPGCRT |