Rep:Mod:XZ9215

NH3 molecule

Bond length=1.3A

Bond angle=37.12942

Calculation Method: B3LYP

Basis set: 6-31G(d,p)

Final energy:-56.55776873au

Symmetry: C_3v

<pre>

Item               Value     Threshold  Converged?

 Maximum Force            0.000004     0.000450     YES

 RMS     Force            0.000004     0.000300     YES

 Maximum Displacement     0.000072     0.001800     YES

 RMS     Displacement     0.000035     0.001200     YES 

<jmol><jmolApplet>

  <title>test molecule</title>

  <color>black</color>

  <size>200</size>

  <uploadedFileContents>NH3_OPTI_POP.log</uploadedFileContents>

</jmolApplet></jmol>

Project molecule