Molecule Viewer


Molecular Orbitals


Calculation failed

-------------------------------
EPS= 78.39
INPUT FOR CAVITY DEFINITION
---------------------------
ATOM COORDINATES RADIUS EPS
1 -0.4960 0.2345 -2.1790 0.0000 78.3900
2 -1.6755 -0.2514 -2.4049 1.2000 78.3900
3 0.6828 0.7218 -1.9526 1.2000 78.3900
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Sat Oct 24 21:20:17 2020