How to generate the symmetry information directly?

nutjunkie / IQmol

IQmol is an open source molecular editor and visualization package

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How to generate the symmetry information directly? #36

Open sym823808458 opened 4 years ago

sym823808458 commented 4 years ago

Hello,everyone I use qchem to generate a .fchk file.For now I wanna know the point group directly，and know the irreduable representation of HOMO or LUMO orbitals，like Ag or Bu something like that. I use the "symmetize structure",but couldn't see any clue here. Please, could any one tell me what to do?