A web page containing Jmol applets

This is the page for the PF3 molecule, if you are looking for the vibrational animations specifically, it is linked to at the bottom of the page.

The first level of ab initio theory that was calculated was 621G and is linked below.

The information that was found by the 621G was then calculated using 631G, click below to display that model.

Finally, all this information was inputted to the DZV basis set, click below to see the results of that.

Theory	X	Y	Z	/D/
621G	0.572308	0.068947	3.390445	3.391285
631G	0.036697	0.078386	3.912513	3.913470
DZV	0.031857	0.068663	3.445687	3.446158

Using this, the highest occupied molecular orbitals and the lowest unoccupied molecular orbitals were found. Click below to view.

From here the electrostatic potential was graphed, click below to see.

Also, the partial atomic charge was calculated, click below to view.

To see the calculated IR values and animations of them click here.

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

Page skeleton and JavaScript generated by export to web function using Jmol 12.2.RC3 2011-08-06 04:51 on Mar 1, 2012.

Using directory /Users/student/Documents/GormanNate/Website stuff/PF3FINALA
  adding JmolPopIn.js
  ...jmolApplet0
      ...adding 621_G.png
      ...copying
./Jmol.js
         to
/Users/student/Documents/GormanNate/Website stuff/PF3FINALA/Jmol.js
      ...copying
./JmolApplet.jar
         to
/Users/student/Documents/GormanNate/Website stuff/PF3FINALA/JmolApplet.jar
      ...copying
file:/Users/student/Documents/GormanNate/621G_PF3.log
         to
      ...compressing large data file to
/Users/student/Documents/GormanNate/Website stuff/PF3FINALA/621G_PF3.log.gz
/Users/student/Documents/GormanNate/Website stuff/PF3FINALA/621G_PF3.log.gz
      ...adding 621_G.spt
  ...jmolApplet1
      ...adding 631_G.png
      ...copying
file:/Users/student/Documents/GormanNate/631G_PF3.log
         to
      ...compressing large data file to
/Users/student/Documents/GormanNate/Website stuff/PF3FINALA/631G_PF3.log.gz
/Users/student/Documents/GormanNate/Website stuff/PF3FINALA/631G_PF3.log.gz
      ...adding 631_G.spt
  ...jmolApplet2
      ...adding DZV.png
      ...copying
file:/Users/student/Documents/GormanNate/DZV_PF3.log
         to
      ...compressing large data file to
/Users/student/Documents/GormanNate/Website stuff/PF3FINALA/DZV_PF3.log.gz
/Users/student/Documents/GormanNate/Website stuff/PF3FINALA/DZV_PF3.log.gz
      ...adding DZV.spt
  ...jmolApplet3
      ...adding HOMO.png
      ...adding HOMO.spt
  ...jmolApplet4
      ...adding LUMO.png
      ...adding LUMO.spt
  ...jmolApplet5
      ...adding ELECTROSTATIC.png
      ...adding ELECTROSTATIC.spt
  ...jmolApplet6
      ...adding Potential.png
      ...adding Potential.spt