Molecule Viewer


Molecular Orbitals


Calculation failed

-------------------------------
EPS= 78.39
INPUT FOR CAVITY DEFINITION
---------------------------
ATOM COORDINATES RADIUS EPS
1 1.0112 -0.1108 0.0101 0.0000 78.3900
2 1.5505 1.0670 0.0103 1.2000 78.3900
3 0.4720 -1.2886 0.0099 1.2000 78.3900
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Thu Nov 26 09:54:12 2020