File: input.dat

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file content (18 lines) | stat: -rw-r--r-- 306 bytes parent folder | download | duplicates (5) 
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default: (
  label = "H2O2 EOM CCSD cc-pVDZ"
  jobtype = oeprop
  wfn = eom_ccsd
  reference = rhf
  dertype = none
  freeze_core = true
  subgroup = c1
  states_per_irrep = (2)
  basis = "cc-pVDZ"
  zmat = (
   (o)
   (o 1 1.39)
   (h 1 0.94 2 102.3)
   (h 2 0.94 1 102.3 3 -50.0)
  )
  prop_all = true
)