File: input.dat

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psicode 3.4.0-6
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file content (16 lines) | stat: -rw-r--r-- 286 bytes parent folder | download | duplicates (6) 
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psi: (
  label = "BH cc-pVDZ MP2"
  jobtype = sp
  wfn = mp2
  reference = rhf
  dertype = none
  docc = (3 0 0 0)
  freeze_core = true
  basis = "cc-pVDZ"
  geometry = (
    b      0.0000        0.0000        0.0000
    h      0.0000        0.0000        1.0000
  )
  direct = true
)