Geometry = GenFormat {
3  C
 O H
     1    1    0.00000000000E+00  -0.10000000000E+01   0.00000000000E+00
     2    2    0.00000000000E+00   0.00000000000E+00   0.78306400000E+00
     3    2    0.00000000000E+00   0.00000000000E+00  -0.78306400000E+00
}

Driver = ConjugateGradient {
  MovedAtoms = Range { 1 -1 }
  MaxForceComponent = 1.0e-4
  MaxSteps = 100
  OutputPrefix = "geom.out"
}

Hamiltonian = DFTB {
  SCC = Yes
  SCCTolerance = 1.0e-5
  MaxSCCIterations = 1000
  Mixer = Broyden {
    MixingParameter = 0.2
  }
  SlaterKosterFiles = {
    O-O = "O-O.skf"
    O-H = "O-H.skf"
    H-O = "O-H.skf"
    H-H = "H-H.skf"
  }
  MaxAngularMomentum = {
    O = "p"
    H = "s"
  }
  Charge = 0.0
  SpinPolarisation = {}
  Filling = Fermi {
    Temperature [Kelvin] = 0.0
  }
}

Options = {}

ParserOptions = {
  ParserVersion = 3
}