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D4d symmetry in GAMESS

SergeyKassel
galitskiy@uni-kassel.de


I`m trying to apply D4d symmetry to my molecule, but the number of atoms is doubled.
It should be square antiprism in the end with 8 atoms.
The square
antiprism

Could you help me to solve this question.

Here is input file:

$CONTRL  SCFTYP=UHF  MULT=1  ICHARG=0  UNITS=BOHR  $END
$BASIS  GBASIS=TZV     $END
$DATA
Li8 D4d
Dnd 4

Lithium    3.0      0.000  3.000   4.000
$END

D4d antiprism


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