{ "bagel" : [

{
  "title" : "molecule",
  "basis" : "tzvpp",
  "df_basis" : "tzvpp-jkfit",
  "angstrom" : false,
  "geometry" : [
    { "atom" : "F",  "xyz" : [   -0.000000,     -0.000000,      3.720616]},
    { "atom" : "H",  "xyz"  : [   -0.000000,     -0.000000,      0.305956]}
  ]
},

{
  "title"  : "zcasscf",
  "algorithm" : "second",
  "state" : [1],
  "thresh" : 5.0e-7,
  "thresh_micro" : 1.0e-8,
  "thresh_fci" : 1.0e-9,
  "nact"   : 2,
  "nclosed"  : 4,
  "maxiter"  : 100,
  "maxiter_scf"  : 100,
  "maxiter_fci"  : 100,
  "maxiter_micro" : 20,
  "diis_start"   : 5
},

{
  "title" : "save_ref",
  "file" : "zcas_test"
},

{
  "title" : "molecule",
  "restart" : "true"
},

{
  "title" : "load_ref",
  "file" : "zcas_test"
},

{
  "title"  : "zcasscf",
  "algorithm" : "second",
  "occ_sort" : "true",
  "only_electrons" : "true",
  "state" : [1],
  "thresh" : 5.0e-7,
  "thresh_micro" : 1.0e-8,
  "thresh_fci" : 1.0e-9,
  "nact"   : 2,
  "nclosed"  : 4,
  "maxiter"  : 3,
  "maxiter_scf"  : 100,
  "maxiter_fci"  : 100,
  "maxiter_micro" : 20,
  "diis_start"   : 5
}

]}
