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#745 Wrong shape of orbitals

v_1.1.0
closed
nobody
None
1
2016-04-26
2015-02-26
Anonymous
No

Molecular Orbitals have wrong shape, symmetric molecule don't have symmetric molecular orbitals.

Discussion

  • Anonymous

    Anonymous - 2015-02-26

    Aplication version 1.1.1
    Libr 1.1.1. open babel 2.3.2
    Qt 4.8.6

    Linux kubuntu 12.04

     
  • Geoff Hutchison

    Geoff Hutchison - 2016-04-26
    • status: open --> closed
     
  • Geoff Hutchison

    Geoff Hutchison - 2016-04-26

    This works for me - perhaps the calculation had 'f' or higher-level basis functions? Without the file, I cannot reproduce.

     
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