Ach2718
Appearance
NH3 Molecule
Calculation Method
RB3LYP
Basis set
6-31G(d.p)
Final energy
-56.44397188 au
Point group
C3v
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