Once the molecule file is fully loaded, the image at right will become live. At that time the "activate 3-D" icon will disappear.

FHF-

Geometry Optimization of FHF- molecule

6-31G geometric optimization data basis set calculation.

This optimization of the molecule geometry was a starting point to get everything situated for the later basis set.

CCD geometric optimization data basis set calculation.

This optimization of the molecule geometry was to get the next step up in order to get a better CCT calculation.

CCT geometric optimization data basis set calculation.

This is the best optimization of the molecule due to it having the shortest bond length of the three basis set calculations that were used to determine its geometry.

The Molecular Orbitals, Dipole Moments, and discussion on H-bonding observed compared to papers can be seen with the links below.
Molecular Orbitals Dipole and H-Bonding

The 2-D Vibration plot can be seen at:

You may look at any of these intermediate views again by clicking on the appropriate button.

Page skeleton and JavaScript generated by the Export to Web module of Jmol 14.31.24 2021-01-13 21:13 on Mar 1, 2021.

Based on a template by A. Herráez and J. Gutow

Using directory /Users/ullmac99/Desktop/Webstite/FHF Geo
  adding support.js
  ...jmolApplet0
      ...adding FHF_631.png
copying and unzipping jsmol.zip directory into /Users/ullmac99/Desktop/Webstite/FHF Geo
      ...adding FHF_631.spt
  ...jmolApplet1
      ...adding FHF_CCD.png
copying and unzipping jsmol.zip directory into /Users/ullmac99/Desktop/Webstite/FHF Geo
      ...adding FHF_CCD.spt
  ...jmolApplet2
      ...adding FHF_CCT.png
copying and unzipping jsmol.zip directory into /Users/ullmac99/Desktop/Webstite/FHF Geo
      ...adding FHF_CCT.spt