I'm using openbabel 2.3.2 for windows. When converting a mopac-output file (mopac.out, which is the result of a simple geometry optimization of hydrogen molecule with mopac2012) with the option moo (MOPAC output format) the output file contains the starting geometry BUT NOT the final, optimized geometry. Looks like a bug to me, but maybe I make some mistake... Thanks for your held, Best regards Patrick Weis
PD Dr. Patrick Weis Institut für Physikalische Chemie Karlsruher Institut für Technologie Fritz-Haber-Weg 2 76131 Karlsruhe Tel 0721 608 43306
mopac.out
Description: mopac.out
babel_out.xyz
Description: babel_out.xyz
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