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Vibrational Frequencies


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  • 1 1475.66 cm-1 View

Calculation failed

INPUT FOR ISOTROPIC DIELECTRICS
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EPS= 78.39
INPUT FOR CAVITY DEFINITION
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ATOM COORDINATES RADIUS
1 -0.7840 0.1134 -1.7891 0.0000
2 -0.0117 1.4451 -1.8368 1.2000
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Tue Jan 2 01:12:38 2018