memory 250 mb


molecule NH3 {
symmetry c1
N     -0.0000000001    -0.1040380466      0.0000000000
H     -0.9015844116     0.4818470201     -1.5615900098
H     -0.9015844116     0.4818470201      1.5615900098
H      1.8031688251     0.4818470204      0.0000000000
units bohr
no_reorient
no_com
}

set {
  basis STO-3G 
  scf_type pk
  pcm true
  pcm_scf_type total
}

pcm = {
   Units = Angstrom
   Medium {
   SolverType = IEFPCM
   Solvent = Water
   }     
        
   Cavity {
   RadiiSet = UFF	   
   Type = GePol
   Scaling = False
   Area = 0.3
   Mode = Implicit
   }
}   

energy_scf1 = energy('scf')

set pcm_scf_type separate
energy_scf2 = energy('scf')
compare_values(get_variable("PCM POLARIZATION ENERGY"), polenergy, 8, "Polarization energy (PCM, separate algorithm)")
