***,BH singlet Sigma and Delta states
r=2.1
geometry={b;h,b,r}
{hf;occ,3;wf,6,1;}
{multi;
occ,3,1,1;frozen,1;wf,6,1;state,3;lquant,0,2,0;wf,6,4;lquant,2;
tran,lz;
expec2,lzlz;}
! Sigma states:- energies -25.20509620 -24.94085861
{ci;occ,3,1,1;core,1;wf,6,1;state,2,1,3;}
! Delta states:- energies -24.98625171
{ci;occ,3,1,1;core,1;wf,6,1;state,1,2;}
! Delta state:- xy component
{ci;occ,3,1,1;core,1;wf,6,4;}