Commit 16e8ca80 authored by Alejandro Gallo's avatar Alejandro Gallo 🐒
Browse files

Add small table

parent 430717cb
| Name | Value |
|--------------+--------------|
| scf | Hartree-Fock |
| scf-orbitals | restricted |
| occupied | 4 |
| virtual | 36 |
| basis | aug-cc-pvdz |
* Water molecule in DZ basis
This system contains a water molecule calculated with the code
......@@ -15,6 +23,7 @@ are
- =./EigenEnergies.dat=
** NWCHEM input
:PROPERTIES:
:CUSTOM_ID: nwchem-input
......
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