! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
S    4.0307701509   0.4989179754   0.0000896857
N   -0.5814562357   1.1420824800  -0.0002453776
N   -0.6338645559  -1.0814090253   0.0002887644
N    2.1839202824  -1.2539247219  -0.0006121890
C   -1.8870724575   0.7203236077  -0.0000231801
C   -1.9412874145  -0.6841406827   0.0003083934
C    0.1261044097   0.0432424534  -0.0001350613
C    1.5736543442  -0.0288811553  -0.0003580163
C   -3.0696716835   1.4599570891  -0.0001306420
C   -3.1395103275  -1.3881196835   0.0006251411
C   -4.2666380115   0.7678288432   0.0002592075
C   -4.3006499345  -0.6356128396   0.0006793683
C    2.4149643428   1.0421679673  -0.0000424160
C    3.4681090943  -1.1255056993  -0.0002145539
H   -3.0472395356   2.5421145531  -0.0006476122
H   -3.1667763432  -2.4695985684   0.0009595314
H   -5.1994110917   1.3162382813  -0.0003819338
H   -5.2576667401  -1.1403622657   0.0006268884
H    2.1641265836   2.0912493709   0.0003560170
H    4.1605423531  -1.9551144568  -0.0004723371
H   -0.2808297276  -2.0262342678  -0.0002257307
*