***, geometry optimization (tight thresholds) for HF using DF-CCSD(T)-F12b/3*C(FIXC,HY1) without and with CABS singles
gthresh,energy=1.d-10,gradient=1.d-08

nosym
noorient
angstrom
geometry={
    2

 F          0.0000000000        0.0000000000       -0.0463705158
 H          0.0000000000        0.0000000000        0.8745302823
}


basis=avdz

! perform geometry optimization using CCCSD(T)-F12b/3*C(FIXC,HY1) without CABS singles by using analytical derivatives
{df-hf;accu,18;}
{df-ccsd(t)-f12,ansatz=3*C(fixc,hy1),cabs_singles=0,cabs=0,ri_basis=optri,thrcabs=1.d-10,thrcabs_rel=1.d-10,thrabs=1.d-10,thrabs_rel=1.d-10,gem_beta=1.0d0;cphf,thrmin=1.d-9;}
{optg,energy=1.d-08,gradient=1.d-06;}

! save geometry parameters for printing
struct,distvar=ccf12distwocabs,angvar=ccf12angwocabs,dihedvar=ccf12dihedwocabs

! perform geometry optimization using CCCSD(T)-F12b/3*C(FIXC,HY1) with CABS singles by using numerical and analytical derivatives
label1
! compute CABS singles forces by using numerical derivatives
{df-hf;accu,18}
{df-mp2-f12,cabs_singles=-1,ri_basis=optri,thrcabs=1.d-10,thrcabs_rel=1.d-10,thrabs=1.d-10,thrabs_rel=1.d-10,gem_beta=1.0d0}
{forces,variable=ef12_singles,varsav=on,fourpoint}
! compute CCCSD(T)-F12b/3*C(FIXC,HY1) without CABS singles forces by using analytical derivatives
{df-hf;accu,18;}
{df-ccsd(t)-f12,ansatz=3*C(fixc,hy1),cabs_singles=0,cabs=0,ri_basis=optri,thrcabs=1.d-10,thrcabs_rel=1.d-10,thrabs=1.d-10,thrabs_rel=1.d-10,gem_beta=1.0d0;cphf,thrmin=1.d-9;}
{forces,varsav=on;add,1} ! add the forces
{optg,startcmd=label1,energy=1.d-08,gradient=1.d-06;}

! save geometry parameters for printing
struct,distvar=ccf12dist,distdef=distance,angvar=ccf12ang,angdef=angle,dihedvar=ccf12dihed,diheddef=dihedral

! compute CABS singles correction for bond length
distcorr=ccf12dist-ccf12distwocabs

! print results
table,distance,ccf12distwocabs,ccf12dist,distcorr