Multiwfn forum

Dirac6265586

Member

Registered: 2021-05-17

Posts: 1

there is someway to convert a file .wfn to .fchk?

dear multiwfn users
I want to know if
is there someway to convert a file .wfn to .fchk?
because after that i want to use the fchk to do a single point with hartree fock in gaussian

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,468

Website

Re: there is someway to convert a file .wfn to .fchk?

It is impossible. You can only use Multiwfn to convert .fchk to .wfn file. (.wfn file doesn't carry basis function information like .fchk)