Add tests for real use cases

[bskinn]

• [x] Various MultiWFN output
  • [x] QTAIM basin/attractor info
  • [x] QTAIM integrated basin qty
  • [x] QTAIM basin LI/DI
• [x] ORCA geometry opt output
• [x] XYZ files
• [x] ORCA CASSCF state populations
• [x] ORCA HESS (compiled with new column_stack_2d to implement w.r.t #54)
• [x] GAMESS geometry
• [x] GAMESS gradient
• [x] GAMESS frequencies
• [x] GAMESS Hessian
• [x] GAMESS modes
• ~GAMESS overlap matrix~ Similar enough to the Hessian it's not worth doing