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Ach2718

From ChemWiki

NH3 Molecule

Calculation Method

RB3LYP

Basis set

6-31G(d.p)

Final energy

-56.44397188 au

Point group

C3v

Table for NH3
Item Value Threshold Converged?
Maximum Force 0.000004 0.000450 YES
RMS Force 0.000004 0.000300 YES
Maximum Force 0.000072 0.001800 YES
RMS Displacement 0.000035 0.001200 YES

Jmol dynamic image

NH3 dynamic image

The optimisation file is liked to here