! 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   1.4567998004   0.3605017861   3.1879725577
Cl  -3.7070672171  -2.6225973237  -2.8938122094
Cl   3.1990147117  -3.7467093862   0.1934475669
S   -1.6413371267   3.1389804528   0.3319837161
N    2.1501820609   2.1370946167  -0.3337218742
N   -0.2820474998   0.9639009408   0.8618701444
N    2.7697163933   1.3096486626  -1.1797985140
N    4.0056668487   1.6200013849   0.6663078174
C    0.8405551363   2.6624505515  -0.6046504983
C   -2.9410876305   1.9896423387   0.8813455872
C   -0.2543511485   2.0686831561   0.2569954741
C   -3.1442331691   0.8409505352  -0.0601141531
C   -2.9296233581  -0.4651681476   0.3647450055
C   -3.5439181931   1.0582151595  -1.3756524421
C    0.6082271222  -0.0803131836   0.6719548952
C   -3.1031316902  -1.5372615430  -0.4978581844
C   -3.7215209601  -0.0002287455  -2.2519340943
C    2.8950393718   2.3058894412   0.7622286942
C    1.4305677149  -0.5238928536   1.7060239226
C    0.5963826187  -0.8159640046  -0.5128395297
C   -3.4947714378  -1.2927398912  -1.8030254896
C    2.2390417568  -1.6388535285   1.5660076201
C    1.3842826576  -1.9409253736  -0.6683086713
C    2.2043618672  -2.3418529927   0.3738137328
C    3.8692923242   1.0238911384  -0.5358513782
H    0.6119452249   2.4901983169  -1.6558668780
H    0.8564946649   3.7448899109  -0.4621216952
H   -3.8322107519   2.6172142701   0.9393534834
H   -2.7147736556   1.6483807801   1.8895713485
H   -2.6141966784  -0.6552797607   1.3818231303
H   -3.7158407442   2.0666506659  -1.7314845908
H   -2.9250436755  -2.5466128971  -0.1530569264
H   -4.0336047297   0.1825455498  -3.2710568975
H    2.6015677862   2.9444838700   1.5801818024
H   -0.0533759748  -0.5012665996  -1.3190221394
H    2.8789067046  -1.9531217422   2.3787799458
H    1.3578951528  -2.4940526313  -1.5967965788
H    4.6141664050   0.3665891550  -0.9553160458
*