! 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   2.0320260201   0.6771103189  -2.5017200975
Cl  -8.2213619224  -0.0797560485   0.4916348884
Cl   6.1125245432  -2.2966203271  -0.6694787999
S   -1.5236112264   0.9297049229   0.8581340076
N    2.2925028570   1.7390816995   1.2424527057
N    0.5879947442  -0.2921411985  -0.1150553884
N    3.4166268157   1.2325041335   1.7584859006
N    3.8840701432   2.6174794042   0.0564942244
C    0.9910956801   1.3610648548   1.7260452483
C   -2.2671767753  -0.3196810866  -0.2381243618
C    0.1789752215   0.5617569914   0.7234370576
C   -3.7531872924  -0.2603852171  -0.0627181399
C   -4.5381564170   0.5220504733  -0.9028401598
C   -4.3692734823  -0.9769408108   0.9591946047
C    1.9096042127  -0.7168114644  -0.1996248667
C   -5.9139425410   0.5832778884  -0.7396068829
C   -5.7424598940  -0.9276153949   1.1363216646
C    2.5879147879   2.5563308665   0.2277418716
C    2.6912161355  -0.3753993162  -1.3029503996
C    2.4563907709  -1.5842737782   0.7426958939
C   -6.5033698999  -0.1448348830   0.2813787608
C    3.9856867211  -0.8425897011  -1.4506384562
C    3.7401057594  -2.0800271312   0.6036075645
C    4.4986986044  -1.6972164972  -0.4896793242
C    4.3378685801   1.7808670200   1.0124689492
H    0.4433995772   2.2592460724   2.0156422006
H    1.1244257317   0.7705914655   2.6321174517
H   -1.8710292140  -1.2956352777   0.0389971523
H   -1.9736926706  -0.1081520382  -1.2648952090
H   -4.0767844084   1.0886419385  -1.7020019365
H   -3.7734617496  -1.5891460415   1.6247797934
H   -6.5147040835   1.1896456548  -1.4033111271
H   -6.2105341046  -1.4950760214   1.9288907121
H    1.8388575825   3.0923872281  -0.3330616642
H    1.8602331081  -1.8814744790   1.5955833086
H    4.5776175451  -0.5460633648  -2.3053274970
H    4.1419854403  -2.7531405968   1.3479235670
H    5.3855372267   1.5798157994   1.1701693768
*