***,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;wf,16,1,0;state,3;  !1D and 1S states
wf,16,4,0;wf,16,6,0;wf,16,7,0;                    !3P states

ci;wf,16,1,0;save,3010.1;state,3                  !save casscf wavefunctions using mrci 
noexc
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