! 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  -0.0910660588   0.6215443432   3.0318647866
Cl   4.1968521028   1.2381220271  -0.0954397149
N   -1.2828635687  -2.1971648019  -0.3748437395
N   -1.8859393337  -2.4160994887  -1.5464909212
N    0.1956010663  -3.2544706772  -1.5699423252
C   -1.7127218009   0.1191953149   0.4470680354
C   -2.5786421521   0.6569946559  -0.6922891103
C   -1.8804717698  -1.3933841215   0.6657486153
C   -0.2446479015   0.4489307913   0.3205780358
C   -2.5728774676   2.1774003340  -0.7832832393
C    0.5722869883   0.6664144583   1.4289817728
C    0.3820080606   0.4680077398  -0.9243709475
C   -3.5151066199   2.6942845521  -1.8588833369
C    1.9327562901   0.9128037765   1.3192109460
C    1.7375571539   0.7052375459  -1.0719649625
C   -0.0447739055  -2.6900548224  -0.4113716406
C    2.5027720155   0.9307931299   0.0590878584
C   -0.9639159813  -3.0526131964  -2.2220964965
H   -2.0938349800   0.5735201108   1.3652680741
H   -2.2927068074   0.2275385128  -1.6553578520
H   -3.6018425954   0.3146667993  -0.5122356579
H   -2.9368341930  -1.6481386228   0.7355435367
H   -1.4159444108  -1.6889479234   1.6059305251
H   -2.8556508005   2.5978288232   0.1862992297
H   -1.5611282675   2.5381531653  -0.9863445686
H   -0.2026489604   0.2946457664  -1.8183831062
H   -4.5479795120   2.4041056963  -1.6570223709
H   -3.2494642357   2.3001384908  -2.8418050698
H   -3.4862556301   3.7826575783  -1.9239576282
H    2.5323176874   1.0858688744   2.2018600087
H    2.1845394987   0.7131630568  -2.0561133514
H    0.6346143310  -2.6330218887   0.4249220658
H   -1.1398811178  -3.3940223751  -3.2302708047
*