File: input.dat

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file content (17 lines) | stat: -rw-r--r-- 260 bytes parent folder | download | duplicates (5) 
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% 6-31G** H2O Test B-CCD(T) energy

psi: (
  label = "6-31G** B-CCD(T) H2O"
  jobtype = sp
  wfn = bccd_t
  reference = rhf
  dertype = none
  freeze_core = true
  delete_tei = false
  basis = "6-31G**"
  zmat = (
    o
    h 1 0.97
    h 1 0.97 2 103.0
  )
)