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
1 0.0322 -0.4983 -2.4475 0.0000
2 -1.2243 -0.1915 -2.5167 1.2000
3 1.2887 -0.8053 -2.3784 1.2000
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Wed Aug 16 05:17:35 2017