! 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    1.8270552504  -1.8809472410   0.7311770490
O    1.7209785027  -1.6200328926   2.1485789327
O    2.3628665429  -3.1451226519   0.2822974476
O    1.4046263893   2.7906708394   0.2895855104
O    0.5276722277   0.9893382544   1.2921594556
O    0.9369171455  -1.8623036931  -2.0483721354
O   -3.0256000412  -0.1065122221   2.4901414112
O   -4.7932908548   1.6758548867  -1.4123199642
N    3.8742798541  -0.7618107322  -0.7411678753
N    0.3022959976  -1.6750034121   0.1230381345
N    4.3578136454   0.3904166016  -1.1848874353
N   -1.1005886010  -0.9968272237  -1.6029381045
N   -2.0703311901  -0.5949561660   0.4693685896
N   -2.9538076858   0.3215596985  -1.5181789529
C    2.7454075130  -0.5795204739  -0.0331353514
C    2.4863250142   0.7854820487  -0.0197747545
C    3.5366272646   1.3293474695  -0.7665916621
C    4.5762397982  -1.9836846635  -1.0972997430
C    1.3684462675   1.5044384577   0.5952253013
C    0.1011980859  -1.5387663623  -1.2297937862
C    0.3479950868   3.6396159457   0.7768262234
C   -2.0820783295  -0.3967935445  -0.8360662524
C   -0.9056606637   3.5207318615  -0.0573677121
C   -3.0031748005   0.0350507857   1.1767706889
C   -3.8899820249   0.9291776416  -0.8010857902
C   -3.9668677628   0.8321937994   0.5830989662
C   -2.0411663027  -0.9256462281   3.1189923369
C   -4.7257095023   1.8282302422  -2.8288006376
H    3.7237001506   2.3630175636  -1.0074458864
H   -0.4244896539  -1.2918007770   0.7460949198
H    4.8853335841  -2.5298552894  -0.2119517489
H    5.4584298034  -1.6841672539  -1.6511606791
H    3.9565043156  -2.6127156501  -1.7288167057
H    0.7589902495   4.6445258353   0.7087170116
H    0.1511960595   3.4272101380   1.8279282916
H   -1.3769605028   2.5431771414   0.0396886403
H   -1.6253698645   4.2661100321   0.2815275948
H   -0.7029800657   3.7086160742  -1.1115794560
H   -4.7264964899   1.3425161389   1.1565010692
H   -1.0380016640  -0.5211853505   2.9847737654
H   -2.2839598508  -0.9145935979   4.1776322218
H   -2.0791028605  -1.9532549795   2.7581771895
H   -5.5471043674   2.4892930965  -3.0899721246
H   -3.7867934133   2.2843321481  -3.1411182975
H   -4.8541823861   0.8767288521  -3.3432923958
H   -1.2012429556  -0.8702965253  -2.6018464175
*