! 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
Cl   1.8384812749  -1.1197268823   2.8883441189
Cl  -7.8388394855   0.7202268598  -1.9456578766
Cl   6.0448264985  -2.4178562221  -0.1787060782
S   -1.6056369035   1.0434789482   0.8046266367
N    2.1362641947   1.9902547343   0.4375099419
N    0.4916738198  -0.4575576197   0.2689469756
N    2.0732000526   2.2768775382  -0.8646187818
N    4.2058500033   2.0104465431  -0.2144533165
C    0.9400163785   1.8150235485   1.2116130651
C   -2.3986462225  -0.5078992422   0.2766560270
C    0.0959159402   0.6592960368   0.7110488851
C   -3.7597612477  -0.1935935453  -0.2625897190
C   -3.8997149702   0.2901369187  -1.5609242767
C   -4.8991667311  -0.3743703314   0.5122830476
C    1.8217036077  -0.8530863235   0.1944420718
C   -5.1487417995   0.5741974986  -2.0853782548
C   -6.1593056244  -0.0936840823   0.0029475012
C    3.4086266519   1.8221015089   0.8055467345
C    2.5518951968  -1.2471286026   1.3170399410
C    2.4339839988  -0.9825899150  -1.0519149535
C   -6.2710698409   0.3767735882  -1.2944901936
C    3.8457570505  -1.7317783907   1.2145498614
C    3.7282849212  -1.4505023298  -1.1750202865
C    4.4262373597  -1.8230527546  -0.0374423501
C    3.3341129752   2.2695486358  -1.2086818483
H    0.3657295590   2.7421171541   1.1963518946
H    1.2172252013   1.6365617704   2.2514222441
H   -2.4463912707  -1.1892747550   1.1249677245
H   -1.7636585343  -0.9566741388  -0.4860806148
H   -3.0233487373   0.4413449886  -2.1788375725
H   -4.8128699803  -0.7465846035   1.5252737835
H   -5.2432338277   0.9396665219  -3.0984750700
H   -7.0386320916  -0.2454024030   0.6134801727
H    3.7023395937   1.5930610930   1.8181330222
H    1.8804668028  -0.7042802419  -1.9380445377
H    4.3886791193  -2.0242617918   2.1026097598
H    4.1826414188  -1.5241722099  -2.1531610228
H    3.6428782818   2.4744787628  -2.2215019138
*