O3,RHF

	Jmol0 will appear here.
CLICK IMAGE TO ACTIVATE 3D Molecular geometry for ozone using 6-31G.

The bond lengths are equal to .125nm while the bond angle is equal to 119.6 degrees.

	Jmol1 will appear here.
CLICK IMAGE TO ACTIVATE 3D Molecular geometry for ozone using CCD.

Optimized Geometry For O3 Using CCD and RHF
The bond lengths are equal to .120nm while the bond angle is equal to 119.0 degrees.

	Jmol2 will appear here.
CLICK IMAGE TO ACTIVATE 3D Molecular geometry for ozone using CCT.

Optimized Geometry For O3 Using CCT and RHF
The bond lengths are equal to .119nm while the bond angle is equal to 119.3 degrees.

The best estimated geometry would be the CCT calculation. As mentioned in the F2- example, the CCT calculation is lower in energy than the 6-31G and CCD calculations; the Energy plot for F2- proves this claim. The goal for geometry optimization is to create a molecule with bond lengths and angles so that they create the lowest energy possible. Therefore, the CCT calculation for O3 is the best one out of 6-31G and CCD since it has the lowest energy.

For Vibrations, click here:
Vibrations

Using directory /Users/padill21/Desktop/LPCU/O3,RHF
  adding support.js
  ...jmolApplet0
      ...adding O3_6-31G_RHF.png
copying and unzipping jsmol.zip directory into /Users/padill21/Desktop/LPCU/O3,RHF
      ...copying
file:/Users/padill21/Desktop/Quantum Calculations/O3,6-31G,RHF.log
         to
/Users/padill21/Desktop/LPCU/O3,RHF/O3,6-31G,RHF.log
      ...adding O3_6-31G_RHF.spt
  ...jmolApplet1
      ...adding O3_CCD_RHF.png
copying and unzipping jsmol.zip directory into /Users/padill21/Desktop/LPCU/O3,RHF
      ...copying
file:/Users/padill21/Desktop/Quantum Calculations/O3,CCD,RHF.log
         to
      ...compressing large data file to
/Users/padill21/Desktop/LPCU/O3,RHF/O3,CCD,RHF.log.gz
/Users/padill21/Desktop/LPCU/O3,RHF/O3,CCD,RHF.log.gz
      ...adding O3_CCD_RHF.spt
  ...jmolApplet2
      ...adding O3_CCT_RHF.png
copying and unzipping jsmol.zip directory into /Users/padill21/Desktop/LPCU/O3,RHF
      ...copying
file:/Users/padill21/Desktop/Quantum Calculations/O3,CCT,RHF.log
         to
      ...compressing large data file to
/Users/padill21/Desktop/LPCU/O3,RHF/O3,CCT,RHF.log.gz
/Users/padill21/Desktop/LPCU/O3,RHF/O3,CCT,RHF.log.gz
      ...adding O3_CCT_RHF.spt

Geometry Calculations For O3