***,SO calculation for the S-atom
geometry={s}
basis={spd,s,vtz}                                 !use uncontracted basis

{rhf;occ,3,2,2,,2;wf,16,4,2}                      !rhf for 3P state

{multi                                            !casscf
wf,16,4,2;wf,16,6,2;wf,16,7,2;                    !3P states
wf,16,1,0;state,3;wf,16,4,0;wf,16,6,0;wf,16,7,0}  !1D and 1S states

{ci;wf,16,1,0;save,3010.1;state,3;noexc}          !save casscf wavefunctions using mrci
{ci;wf,16,4,0;save,3040.1;noexc}
{ci;wf,16,6,0;save,3060.1;noexc}
{ci;wf,16,7,0;save,3070.1;noexc}
{ci;wf,16,4,2;save,3042.1;noexc}
{ci;wf,16,6,2;save,3062.1;noexc}
{ci;wf,16,7,2;save,3072.1;noexc}

{ci;wf,16,1,0;save,4010.1;state,3}                !mrci calculations for 1D, 1S states
ed=energy(1)                                      !save energy for 1D state in variable ed
es=energy(3)                                      !save energy for 1S state in variable es
{ci;wf,16,4,2;save,4042.1}                        !mrci calculations for 3P states
ep=energy                                         !save energy for 3P state in variable ep
{ci;wf,16,6,2;save,4062.1}                        !mrci calculations for 3P states
{ci;wf,16,7,2;save,4072.1}                        !mrci calculations for 3P states
text,only triplet states, casscf

lsint                                             !compute so integrals

text,3P states, casscf
{ci;hlsmat,ls,3042.1,3062.1,3072.1}               !Only triplet states, casscf

text,3P states, mrci
{ci;hlsmat,ls,4042.1,4062.1,4072.1}               !Only triplet states, mrci

text,3P, 1D, 1S states, casscf
{ci;hlsmat,ls,3010.1,3040.1,3060.1,3070.1,3042.1,3062.1,3072.1}       !All states, casscf

text,only triplet states, use mrci energies and casscf SO-matrix elements
hlsdiag=[ed,ed,es,ed,ed,ed,ep,ep,ep]             !set variable hlsdiag to mrci energies
{ci;hlsmat,ls,3010.1,3040.1,3060.1,3070.1,3042.1,3062.1,3072.1}