{

name=     h2o

basis_set_directory= ./basis_sets
basis_set_kind= dzp-dunning70

charge=   0

multiplicity= 1

atoms= {
keys= { label= pos= }
data= {
   O  0.000000     .000000     .000000
   H  1.107       1.436        .0     
   H  1.107      -1.436        .0     
}
}

scfdata= {
   initial_guess=   atom
   kind=            rhf
   direct=          on
   convergence=      0.000001
   diis_convergence= 0.000001
   diis=            on
   diis_keep=       8
   diis_start=      0
}

scf

}