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Useful reading and references
Contents
Gaussian and GAMESS inputs
The
wfn
files are written by GAMESS and by Gaussian. It is not a standard option and therefore it must be indicated in the input.
Subsections
GAMESS
Example
Gaussian
Hartree Fock or DFT calculations
Example: C
4
H
4
tetrahedrane
BeCl
2
: input for condensed Fukui function calcualtion
Post Hartree Fock calculations
Closed shell example: water molecule
Open shell example: CH
3
radical
