{ "bagel" : [

 {
   "title" : "molecule",
   "basis" : "cc-pvdz",
   "df_basis" : "cc-pvdz-jkfit",
   "angstrom" : true,
   "geometry" : [
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   { "atom" : "H", "xyz" : [     -1.526796000000,     -0.677292000000,     -11.064969000000 ] },
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   { "atom" : "H", "xyz" : [     -0.250985000000,     0.769728000000,     -10.662320000000 ] },
   { "atom" : "C", "xyz" : [     -3.713448000000,     -3.548020000000,     -10.455916000000 ] },
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   { "atom" : "H", "xyz" : [     -3.333718000000,     -3.165921000000,     -9.491408000000 ] },
   { "atom" : "C", "xyz" : [     -5.246836000000,     -3.565560000000,     -10.450140000000 ] },
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   { "atom" : "H", "xyz" : [     -5.609994000000,     -3.924585000000,     -11.430895000000 ] },
   { "atom" : "C", "xyz" : [     -5.822969000000,     -4.443046000000,     -9.336381000000 ] },
   { "atom" : "H", "xyz" : [     -5.490008000000,     -5.488756000000,     -9.441727000000 ] },
   { "atom" : "H", "xyz" : [     -5.503114000000,     -4.089353000000,     -8.342228000000 ] },
   { "atom" : "H", "xyz" : [     -6.923375000000,     -4.438878000000,     -9.355394000000 ] }
   ]
 },
 {
   "title" : "casscf",
   "dipoles" : true,
   "nstate" : 3,
   "nact" : 12,
   "nclosed" : 88,
   "thresh" : 1.0e-06,
   "maxiter" : 100,
   "charge" : 1
 },
 {
   "title" : "forces",
   "grads" : [
    { "title" : "force", "target" : 1}
   ],
   "export" : true,
   "method" : [ {
     "title" : "caspt2",
      "smith" : {
         "method" : "caspt2",
         "ms" : true,
         "xms" : true,
         "sssr" : true,
         "shift" : 0.2,
         "shift_imag" : true
   },
   "dipoles" : true,
   "nstate" : 3,
   "nact" : 12,
   "nclosed" : 88,
   "thresh" : 1.0e-06,
   "maxiter" : 100,
   "charge" : 1
    } ]
 },
 {
   "title" : "save_ref",
   "file" : "./orb"
 },
 {
 "title" : "print",
 "file" : "orbitals_end.molden",
 "orbitals": "true"
 }
]}