***,AuH
! CCSD(T) binding energy of the AuH molecule at r(exp)
! using the scalar-relativistic 19-valence-electron
! pseudopotential of the Stuttgart/Koeln group
gprint,basis,orbitals;
geometry={au}
basis={
ecp,au,ECP60MWB;              ! ECP input
spd,au,ECP60MWB;c,1.2;        ! basis set
f,au,1.41,0.47,0.15;
g,au,1.2,0.4;
spd,h,avtz;c;
}
rhf;
{rccsd(t);core,1,1,1,,1;}
e1=energy
geometry={h}
rhf
e2=energy;
rAuH=1.524 ang                ! molecular calculation
geometry={au;h,au,rAuH}
hf;
{ccsd(t);core,2,1,1;}
e3=energy
de=(e3-e2-e1)*toev            ! binding energy = 3.11 eV