File: input.dat

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file content (18 lines) | stat: -rw-r--r-- 248 bytes parent folder | download | duplicates (6) 
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psi: (
  label = "3B1 CH2 cc-pVDZ/UHF-CCSD Geometry Optimization"
  jobtype = opt
  wfn = ccsd
  reference = uhf
  dertype = first
  multp = 3
  basis = "cc-pVDZ"
  zmat = (
    c
    h 1 r
    h 1 r 2 a
  )
  zvars = (
    r 1.1
    a 109.0
  )
)