! 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   1.0994315231  -2.3453286876  -2.1259127550
S    1.1781232638  -1.3359191748   1.1581049345
O    0.6268131226  -2.6642671367   0.9977154193
O    1.7264882366  -0.9382097532   2.4380544140
O    1.1845875184   1.5382650527   0.7240110217
O   -5.3482976154   2.9715028146  -0.4224407963
O   -4.1933073888  -1.5013313203   0.4686972781
N    3.5355100940  -0.3255228456   0.0579238812
N    3.3888872712  -1.0294042171  -2.0670290370
N   -0.0843467652  -0.3362814158   0.7393303274
N   -1.0233794709   1.7453194330   0.3044091157
N   -3.1759543967   2.3636937270  -0.0669900407
N   -2.6605231691   0.0983603561   0.3656333546
C    2.3685782224  -1.0592332046  -0.0599031190
C    4.1207645989  -0.3418520640  -1.1887555086
C    2.3398307767  -1.4535236285  -1.3843969440
C    4.0909533610   0.3457901093   1.1052883191
C    5.3339310787   0.3280711678  -1.3902548252
C    5.2657769220   1.0007217736   0.9164724314
C    5.9006154968   0.9945532267  -0.3421003852
C    0.0942508317   1.0126552810   0.6077941520
C   -2.3455586005   1.3654175063   0.1982674694
C   -4.4521326682   2.0377756723  -0.1592158889
C   -3.9563171414  -0.2139968415   0.2768101996
C   -4.9236515796   0.7351693553   0.0118704367
C   -4.9137984769   4.3174121607  -0.6091669356
C   -5.5398966329  -1.9600197592   0.4209772774
H    3.5764664731   0.3244079690   2.0490899783
H    5.7857414008   0.3021782019  -2.3709889403
H   -1.0365514061  -0.7202818119   0.6572384425
H    5.7018613885   1.5267194185   1.7522651925
H    6.8349185937   1.5212134859  -0.4737561292
H   -0.8495765283   2.7340700470   0.1811232933
H   -5.9767547750   0.5130863705  -0.0663680472
H   -4.2441055223   4.4083645728  -1.4636021303
H   -4.4207623588   4.7084930813   0.2798212522
H   -5.8161482652   4.8914502976  -0.7993678346
H   -5.5025861356  -3.0277487799   0.6158638088
H   -5.9843411991  -1.7932929618  -0.5612038235
H   -6.1517351505  -1.4801462283   1.1861316061
*