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NH3

Molecule:NH3

Bond Length(N-H):1.01798A

Bond Length(H-H):1.62322A

Method:RB3LYP

Calculation Type:FREQ

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

Charge:0

Spin:Singlet

E(RB3LYP):-56.55776873

RMS Gradient Norm:0.00000485

Imaginary Freq:0

Dipole Moment:1.8466

Point Group:C3V

   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

<pre>

<jmol><jmolApplet>
  <title>test molecule</title>
  <color>black</color>
  <size>200</size>
  <uploadedFileContents>DAOHE_NH3_OPTF_POP.LOG</uploadedFileContents>
</jmolApplet></jmol>

[[File:DAOHE_NH3_OPTF_POP.LOG]]

<jmol><jmolApplet>
  <title>test molecule</title>
  <color>black</color>
  <size>200</size>
  <uploadedFileContents>Vibration diagram.png</uploadedFileContents>
</jmolApplet></jmol>