! 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  -0.2186134768   1.9838398317   1.6591390355
Cl   4.1729367543   1.6544186593   1.6566442405
Cl  -0.5842912572   4.3635718399  -3.1298617667
S   -1.0133669077  -2.3477877410  -0.9938423534
N   -1.7515248902  -3.4193169393   1.6583570619
N   -1.8669529645  -0.1333044354   0.4590933296
N   -0.6034368138  -3.2941277447   2.3272884679
N   -0.9769681826  -5.4426923773   1.7955498673
C   -2.5100245188  -2.2662581753   1.2576032288
C    0.2750187013  -1.3509430846  -1.7901611699
C   -1.7794343598  -1.3811472584   0.2695722098
C    1.2184922278  -0.6171094861  -0.8816841128
C    1.7767117420   0.5740846116  -1.3351703494
C    1.5917674458  -1.0961518595   0.3686357603
C   -1.5115324860   0.8674382765  -0.4265766194
C    2.6893771492   1.2765426047  -0.5658546274
C    2.5048818481  -0.4058076958   1.1504313547
C   -1.9524571999  -4.6976647246   1.3386837538
C   -0.7947759493   1.9732408103   0.0375137311
C   -1.9648326706   0.8944042675  -1.7448721540
C    3.0453453421   0.7768532605   0.6757187917
C   -0.5033726398   3.0471170971  -0.7832376867
C   -1.6892391776   1.9621377954  -2.5814658937
C   -0.9523019226   3.0284158706  -2.0934152339
C   -0.1812731294  -4.5300905681   2.3846479382
H   -2.7702600871  -1.6686381768   2.1284106588
H   -3.4401119642  -2.6166077565   0.8072081183
H   -0.1644466494  -0.6760268882  -2.5218556941
H    0.8202272681  -2.1100702042  -2.3580102832
H    1.4914886666   0.9702086236  -2.3020739465
H    1.1632627394  -2.0115800290   0.7567682838
H    3.1064780653   2.2056245343  -0.9293037138
H    2.7809724730  -0.7869994890   2.1239966231
H   -2.8179548811  -5.0350563207   0.7905885282
H   -2.5584602908   0.0700380369  -2.1193702328
H    0.0727037314   3.8801180860  -0.4057278424
H   -2.0486233547   1.9551571846  -3.6008163055
H    0.7418464822  -4.7870853167   2.8798027009
*