File: input.dat

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file content (14 lines) | stat: -rw-r--r-- 189 bytes parent folder | download | duplicates (6) 
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psi: (
  label = "6-31G** CISD H2O"
  jobtype = opt
  wfn = mp2 
  reference = rhf
  multp = 1
  dertype = none
  basis = "6-31G**"
  zmat = (
    o
    h 1 1.00
    h 1 1.00 2 103.1
  )
)