File: input.dat

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psi: (
  label = "DZP RHF optimization of BH3"
  wfn = scf
  reference = rhf
  jobtype = opt
  dertype = first
  basis = "DZP"
% uses z-matrix to indicate which coordinates are optimized
  zmat_simples =true
  zmat = (
    B
    H 1 BH$
    H 1 BH$ 2 120.0
    H 1 BH$ 2 120.0 3 180.0
  )
  zvars = (
    BH 1.0
  )
)