Hello, My name is Nikiforov Alexander. I'm a PhD student at MPI for Coal Research in Muelheim an der Ruhr. I use Jmol in my research of conical intersections of small molecules. The problem is, Jmol cannot show me STO orbitals in molden file. Jmol reads orbitals and you can see how many orbitals in Script Console, but when you try to plot orbitals, it doesn't work. In Jmol Java Console it writes: MO ERROR: No basis functions found in file for MO calculation. (GAUSSIAN 'gfprint' keyword may be missing?) I tried to google the problem, but I don't think many people use STO orbitals today, still I perform OM2 semi-empirical calculations, so I have only STO orbitals. So, could you please help me to fix this. Attached is the example molden file that provides error.
-- Regards, Nikiforov Alexander PhD student Max-Planck-Institut für Kohlenforschung Kaiser-Wilhelm-Platz 1 45470 Mülheim an der Ruhr/Germany Tel.: +49 151 703-29-312 email: [email protected] <http://webmail.mpi-muelheim.mpg.de/src/compose.php?send_to=nikiforo%40mpi-muelheim.mpg.de>
water.molden
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