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Inconsistent orbital energies from QChem (output vs. fchk) #1068

@BalticPinguin

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@BalticPinguin

Dear developers,
I have experienced that the orbital energies printed differ (in unit) when reading from QChems fchk file or the respective output:

From fchk I get

 "energies": [ [-115.121449, -11.1423766, -8.69493861, -8.69493861, -8.69493861,

while the 'output' gives

 "energies": [ [null, -303.20013678112, -236.600271871245, -236.600271871245, -236.6

Seemingly, from the output. eV are used whereas the formcheck-unit correspond to Ha.

Please let me know if I should provide files.
Best regards,
Hubert

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