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