Molecule Viewer
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Molecular Orbitals
Calculation failed
INPUT FOR ISOTROPIC DIELECTRICS-------------------------------
EPS= 78.39
INPUT FOR CAVITY DEFINITION
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ATOM COORDINATES RADIUS EPS
1 -0.7922 0.1226 -1.7872 0.0000 78.3900
2 0.6186 0.7387 -1.8383 1.2000 78.3900
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Sun Nov 8 06:16:19 2020