! 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   1.4144206163  -0.6110399637   2.3136396014
Cl   4.0444786391  -3.5459575018  -1.2680084966
O   -1.2097595906   0.5289678746  -1.1757730510
O   -1.1629213444   0.0372751217   0.9921822941
N   -0.7470005676   2.7876150512   0.5217289962
N   -1.0626713738   3.0688608502   1.7887452356
N   -2.3756343626   4.2187116984   0.3772879914
C   -0.3558540908   0.4293894872  -0.0718655656
C   -2.3560433795  -0.2992881866  -0.9632788205
C   -2.1113845847  -0.8595971519   0.4413834187
C    0.2514890812   1.8082029111   0.1872235180
C    0.7585354485  -0.5825801982  -0.3435126844
C   -3.6206563491   0.5292516937  -1.1001980498
C   -4.8708137879  -0.3369400264  -1.1052707294
C    1.5820569455  -1.0932112362   0.6592425544
C    1.0024683904  -1.0109459776  -1.6447456296
C    2.5910283026  -2.0040812075   0.3853091158
C    2.0038116818  -1.9179799919  -1.9482413085
C   -1.5440999332   3.4680752720  -0.3028548612
C    2.7893610673  -2.4108988732  -0.9222011081
C   -2.0351468032   3.9299003088   1.6476799616
H   -2.3594045798  -1.1027729220  -1.7068129704
H   -2.9986023061  -0.8558407424   1.0743815748
H   -1.7180967542  -1.8807778368   0.4086243670
H    0.7809445487   2.1321192230  -0.7083808308
H    0.9754020003   1.7759641329   0.9975212298
H   -3.5693208732   1.0980002964  -2.0317937398
H   -3.6717094097   1.2589453745  -0.2869754923
H   -4.8560127679  -1.0516820817  -1.9297485609
H   -4.9814123806  -0.9042793446  -0.1795121036
H   -5.7648618167   0.2758179973  -1.2172863699
H    0.3957397198  -0.6291067511  -2.4530970796
H    3.2107004933  -2.3872088765   1.1837685129
H    2.1619926530  -2.2304846436  -2.9706276606
H   -1.4706434988   3.4076706665  -1.3763333604
H   -2.5186071198   4.3773309162   2.5017763597
*