! 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  -0.9069388875   1.5271505901   1.4285617890
Cl   3.4086789110   1.6061916865   2.5572213497
Cl  -0.9349982760   4.3623813141  -3.1258019919
S   -0.4212063555  -2.5503685195  -1.6045033129
N   -1.1459244421  -3.1471468633   1.5528625720
N   -1.9176376342  -0.6626685995  -0.2152584757
N   -0.3321164716  -4.2054896247   1.5846353473
N    0.1123971550  -2.8172374130   3.2917965218
C   -2.0874573748  -2.9204627452   0.4794935573
C    0.8129041872  -1.2868733882  -2.0248666385
C   -1.5452845868  -1.8490336854  -0.4415054497
C    1.4376605278  -0.5868368620  -0.8536077208
C    1.7563118432   0.7620025906  -0.9670551295
C    1.7488991829  -1.2489597189   0.3293042909
C   -1.6130573023   0.4703077032  -0.9458624186
C    2.3686302451   1.4432034458   0.0725920687
C    2.3570069337  -0.5823805589   1.3802869062
C   -0.8569613094  -2.3225525486   2.5620865535
C   -1.2034210054   1.6195601905  -0.2651929543
C   -1.8251174009   0.5651424980  -2.3197993069
C    2.6608441770   0.7616273167   1.2417067282
C   -0.9880780995   2.8158896819  -0.9235487454
C   -1.6213539599   1.7553606289  -2.9971958504
C   -1.2010708901   2.8709888459  -2.2918916607
C    0.3981189048  -3.9625808188   2.6427077267
H   -3.0365858205  -2.5919322965   0.8965926579
H   -2.2510354114  -3.8664631049  -0.0330058421
H    0.4103987794  -0.5739743405  -2.7415761033
H    1.5632101832  -1.8761192369  -2.5591709460
H    1.5215968855   1.2972762265  -1.8789448728
H    1.5240491540  -2.3025689991   0.4403808236
H    2.6023261062   2.4940050840  -0.0287490948
H    2.5856119993  -1.1100834708   2.2954247998
H   -1.3805828233  -1.3955642061   2.7318109373
H   -2.1699935650  -0.3032300781  -2.8665967362
H   -0.6518023299   3.6864047401  -0.3780260547
H   -1.7906217956   1.8042914373  -4.0636154405
H    1.1656507109  -4.6473990732   2.9667058199
*