geometry={   3
H2O
O          0.0000000000        0.0000000000       -0.0573384885
H          0.7581330543        0.0000000000        0.5338192442
H         -0.7581330543        0.0000000000        0.5338192442
}

basis=def2-svp
{hf}

!use first analytial derivative
fpol,dm,proc=myproc,use_grad

proc myproc
{hf}
{ccsd
expec,dm}
endproc


!compare with twofold numerical derivative
fpol,dm,proc=myproc