Molecular Orbitals have wrong shape, symmetric molecule don't have symmetric molecular orbitals.
Aplication version 1.1.1 Libr 1.1.1. open babel 2.3.2 Qt 4.8.6
Linux kubuntu 12.04
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This works for me - perhaps the calculation had 'f' or higher-level basis functions? Without the file, I cannot reproduce.
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Aplication version 1.1.1
Libr 1.1.1. open babel 2.3.2
Qt 4.8.6
Linux kubuntu 12.04
This works for me - perhaps the calculation had 'f' or higher-level basis functions? Without the file, I cannot reproduce.