! 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  -1.8628029004   1.7162871783   1.8130924945
Cl   8.2032755256  -0.3112728763   0.0368817627
Cl  -6.1810902103   1.8758021189  -1.3779120632
S    1.4934325781  -1.3182594238   0.0177494126
N   -2.2998565640  -2.0017967232   0.6876156740
N   -0.6057514978   0.2064551020  -0.3867806721
N   -3.4712959092  -2.1234970052   0.0560350816
N   -3.7826544159  -1.4525119405   2.1748603127
C   -1.0440938858  -2.2280927778   0.0215217707
C    2.2441708420   0.2865580985  -0.3902966308
C   -0.2111588264  -0.9705215090  -0.1445346674
C    3.7309016547   0.1385166090  -0.2846397905
C    4.3775983846   0.3489149757   0.9292123894
C    4.4861701678  -0.2283988383  -1.3937591138
C   -1.9376081481   0.5402471675  -0.6091926536
C    5.7526738767   0.2120761439   1.0371829454
C    5.8623988209  -0.3692865393  -1.3037889539
C   -2.5023865877  -1.5970034306   1.9435949569
C   -2.6389470811   1.2967191798   0.3292179552
C   -2.5759157206   0.2360409718  -1.8088464656
C    6.4833056741  -0.1457095691  -0.0850643743
C   -3.9444019916   1.7009442969   0.1099746775
C   -3.8725568225   0.6485582879  -2.0579390121
C   -4.5505968185   1.3698141781  -1.0899639339
C   -4.3229945850  -1.7764318620   0.9831382929
H   -1.2533409547  -2.6534661903  -0.9596831199
H   -0.4778162001  -2.9792553465   0.5741592742
H    1.8646601818   1.0330631721   0.3056245283
H    1.9414473709   0.5697078766  -1.3973549240
H    3.8067099683   0.6316414074   1.8048715935
H    4.0002608118  -0.4003305290  -2.3460675097
H    6.2438512192   0.3866857567   1.9844797783
H    6.4388873921  -0.6466475349  -2.1754715299
H   -1.7001584557  -1.4445379136   2.6482495311
H   -2.0436373989  -0.3299219829  -2.5621865827
H   -4.4728203416   2.2679224133   0.8638565733
H   -4.3465054163   0.3985695427  -2.9968358326
H   -5.3850923676  -1.7687722982   0.7959595628
*