Re: CCL:Potential energy and wavefunction

 >
 > Hi,
 >    I want to know how can I calculate the potential energy of a molecule
 > using gaussian software. And how the wavefunction of a mole has been
 > printed in the output file in gaussian software?
 sorry
 I forget about wavefunction
 If you want to print a vawefunction use option output=wfn
 and gaussian should print it for you in the separate file
 You must add at the end of the gauussian input the name of the wavefuncion
 file
 > Thanking you in advance
 > Utpal
 >
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