memory,50,m

! CuO2(NH3)4
geometry={
 N    -2.244097     0.000000    -0.017684
 N     1.111652    -1.671116    -0.178974
 N     1.111652     1.671116    -0.178974
 N    -0.306059     0.000000    -2.311080
Cu    -0.179579     0.000000    -0.290548
 O    -0.184327     0.000000     1.594789
 O     1.053213     0.000000     2.103145
 H    -2.331519     0.000000     1.002818
 H     0.614110     0.000000    -2.753879
 H    -0.793743     0.815054    -2.687415
 H    -0.793743    -0.815054    -2.687415
 H    -2.764729     0.814552    -0.345484
 H    -2.764729    -0.814552    -0.345484
 H     0.635193     2.543632     0.052739
 H     0.635193    -2.543632     0.052739
 H     1.616225     1.397092     0.672915
 H     1.616225    -1.397092     0.672915
 H     1.809254     1.910324    -0.883324
 H     1.809254    -1.910324    -0.883324
}
wf,charge=1,spin=2

! select all-electron minimal basis sets for H,N,O and ECP10 based basis
! set for Cu; using MINAO-PP here instead of MINAO allows us to project
! the obtained wave function on the cc-pVTZ-PP basis later on.
basis=MINAO,Cu=MINAO-PP

! Run HF to get an initial guess for the valence electronic
! structure. The level shifts damp and stabilize the convergence.
{rhf; shift,-1.0,-0.5; save,2100.2}

! select the actual basis set and start RHF with projected wave function
! from MINAO basis. nitord=1 asks RHF to reorder orbitals in each
! iteration to maximize overlap with the closed and active space
! from the last iteration.
basis=AVTZ,Cu=VTZ-PP,H=VDZ(p)
{df-rhf,nitord=1; start,2100.2}