Hydrogen Cyanide

Hydrogen Cyanide Optimization


	Bond Length Optimization using PM3 Optimization.

PM3 Bond length optimization for hydrogen cyanide.


	Bond Lengths using AM1 Optimization

AM1 bond length optimization for hydrogen cyanide.
Values are equal for both optimizations.


	Bong Length Optimization using DZV Optimization

DZV bond length optimization for hydrogen cyanide.
Carbon nitrogen bond is shortened to 1.15 angstroms.
Carbon hydrogen bond is shortered to 1.05 angstroms.


	Bond Angle using PM3 Optimization

PM3 bond angle optimization for hydrogen cyanide.
180 degrees throughout.


	Bond Angle using AM1 Optimization

AM1 bond angle optimization for hydrogen cyanide.
180 degrees


	Bond Angle using DZV Optimization

DZV bond angle optimization for hydrogen cyanide.
180 degrees for all optimization as expected.


	Lowest Unoccupied Molecular Orbital (LUMO)

Lowest occupied molecular orbital picture.
Showing bonding orbitals.


	Highest Occupied Molecular Orbital (HOMO)

Highest occupied molecular orbitals.
Showing bonding orbitals.


	Electrostatic Potential Diagram

Electrostatic potential for hydrogen cyanide.
Highest electron density near the nitrogen.

Based on template by A. Herráez as modified by J. Gutow

Page skeleton and JavaScript generated by export to web function using Jmol 12.0.26 2010-11-06 14:33 on Mar 1, 2011.

Using directory /Users/students/Desktop/MO - Adam and Logan
  adding JmolPopIn.js
  ...jmolApplet0
      ...adding Hydrogen_Cyanide_PM3_Bond_Lengths.png
      ...adding Hydrogen_Cyanide_PM3_Bond_Lengths.spt
  ...jmolApplet1
      ...adding Hydrogen_Cyanide_AM1_Bond_Lengths.png
      ...adding Hydrogen_Cyanide_AM1_Bond_Lengths.spt
  ...jmolApplet2
      ...adding Hydrogen_Cyanide_DZV_Bond_Length.png
      ...adding Hydrogen_Cyanide_DZV_Bond_Length.spt
  ...jmolApplet3
      ...adding Hydrogen_Cyanide_PM3_Bond_Angle.png
      ...adding Hydrogen_Cyanide_PM3_Bond_Angle.spt
  ...jmolApplet4
      ...adding Hydrogen_Cyanide_AM1_Bond_Angle.png
      ...adding Hydrogen_Cyanide_AM1_Bond_Angle.spt
  ...jmolApplet5
      ...adding Hydrogen_Cyanide_DZV_Bond_Angle.png
      ...adding Hydrogen_Cyanide_DZV_Bond_Angle.spt
  ...jmolApplet6
      ...adding Hydrogen_Cyanide_LUMO.png
      ...adding Hydrogen_Cyanide_LUMO.spt
  ...jmolApplet7
      ...adding Hydrogen_Cyanide_HOMO.png
      ...adding Hydrogen_Cyanide_HOMO.spt
  ...jmolApplet8
      ...adding Hydrogen_Cyanide_Electrostatic_Potential.png
      ...adding Hydrogen_Cyanide_Electrostatic_Potential.spt