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10.1 Geometry specifications
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9.3 Diatomic potential curve
Contents
Index
10 MOLECULAR GEOMETRY
Subsections
10.1 Geometry specifications
10.2 Symmetry specification
10.3 Writing Gaussian, XMol or MOLDEN input (
PUT
)
10.4 Geometry Files
10.5 Lattice of point charges
10.6 Redefining and printing atomic masses
10.7 Dummy centres
molpro@molpro.net 2013-06-19
