Hey,
I'm trying to optimize a molecule by using GAMESS US with solvent (water, PCM) while constraining Cs symmetry.
When I add solvent the symmetry changes (C1) even though the GAMESS acknowledges the point group as Cs. (Without PCM the geometry is unchanged.)
$contrl scftyp=rhf runtyp=energy mult=1 icharg=0 maxit=200 $end
$system timlim=36000 mwords=500 $end
$eldens ieden=1 $end
$pcm solvnt=water $end
$data
Example cc-pvdz
Cs
1.0 , 0.0 , 0.0 , 2.0 , 0.0 , 0.0
5.0 , 3.0 , 0.0
Woojin Park
When you use PCM, the point group symmetry is switched off internally.
This is limitation of PCM in GAMESS.
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