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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 -0.6678 0.4872 -1.5466 0.0000
2 1.0096 0.9111 -2.2874 1.8100
3 -2.4033 0.7759 -0.0860 1.8100
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Mon May 29 09:15:12 2017