Molecule Viewer


Calculation failed

INPUT FOR ISOTROPIC DIELECTRICS
-------------------------------
EPS= 78.39
INPUT FOR CAVITY DEFINITION
---------------------------
ATOM COORDINATES RADIUS
1 -0.6344 -0.2636 -1.7642 0.0000
2 -1.4117 1.9281 -2.0439 0.0000
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Fri Aug 4 06:42:14 2017