Molecule Viewer


Vibrational Frequencies


Vibration
Vectors
Balls

Calculation failed

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EPS= 78.39
INPUT FOR CAVITY DEFINITION
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ATOM COORDINATES RADIUS EPS
1 -0.7821 0.2003 -2.0748 0.0000 78.3900
2 0.9511 0.3914 -2.0887 1.8100 78.3900
3 -2.5153 0.0093 -2.0611 1.8100 78.3900
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Mon Nov 9 16:11:42 2020