File: input.dat

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file content (20 lines) | stat: -rw-r--r-- 259 bytes parent folder | download | duplicates (6) 
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psi: (
  label = "cc-pVDZ UHF DBOC for F2+"
  jobtype = dboc
  wfn = scf
  reference = uhf
  charge = 1
  multp = 2
  basis = "cc-pVDZ"
  zmat = (
    f
    f 1 1.30000
  )
  docc = (3 0 1 1 0 2 0 1)
  socc = (0 0 0 0 0 0 1 0)
)

scf: (
  convergence = 14
)