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Appendix A. Keyword Reference |  |
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Appendix A. Keyword Reference | |
ORIENT=ORIGINAL — Don't reorient the input geomtry.
ORIENT=ORIGINAL
When geometries are input in Carestian coordinates, the standard behavior is for AMPAC to reorient the molecule to correspond to a z-matrix orientation. If the job is to be run in Cartesian coordinates (keyword XYZ), then this behavior may not be desireable. Using ORIENT=ORIGINAL prevents this reorientation, so that the input Cartesian orientation is maintained throughout the calculation.
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OVERLAP |