! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX
! DEFGRID2
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 4
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
S   -1.3226895405  -0.8066348144  -0.0011856429
S    0.0295988949   1.8691553186  -0.0011139882
N    1.2687569304  -0.4492810948   0.0004430295
C    1.4987619448  -1.8764530334   0.0005828755
C    0.1222449904   0.2106391339   0.0008656906
H    2.0951197682   0.1331676615  -0.0010371214
H    0.5691917853  -2.4382079804   0.0137010201
H    2.0743745475  -2.1626018286   0.8790777578
H    2.0537520284  -2.1678201312  -0.8894964134
H   -2.1751509879   0.2237330105   0.0011494056
*