#! DF-BP86-D2 cc-pVDZ frozen core gradient of S22 HCN

ref_bp86d2 = [


memory 250 mb
molecule {
  0 1
  N    -0.0034118    3.5353926    0.0000000
  C     0.0751963    2.3707040    0.0000000
  H     0.1476295    1.3052847    0.0000000
}


set {
    scf_type              df
    basis                 cc-pvdz
    freeze_core           true
    dft_radial_points     99
    dft_spherical_points  302
    e_convergence         8
    d_convergence         8
}

gradient('bp86-d')
clean()


set {
    dft_functional bp86-d
    reference rks
    dft_radial_points 99
    dft_spherical_points 302
}

gradient('bp86-d')
