Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.
I made an optimization with Gamess 64bit (last version) with HF/STO-3 for aniline and I can open log file to view HOMO-LUMO orbitals.
But when I try to open log file for another molecule, using exactly the same parameters (copy from aniline input) the programs crash and freeze.
I put in attachement the log file for this molecule, maby someone can give me some help, please.
I made an optimization with Gamess 64bit (last version) with HF/STO-3 for aniline and I can open log file to view HOMO-LUMO orbitals. But when I try to open log file for another molecule, using exactly the same parameters (copy from aniline input) the programs crash and freeze.
I put in attachement the log file for this molecule, maby someone can give me some help, please.
Reported by: *anonymous