! 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   1.6470939982  -1.7202578261   1.6777259309
Cl  -8.1268126045   0.2528248101   0.2856159632
Cl   6.2379671549  -1.9394699682  -1.1012891568
S   -1.4600660038   1.3998106921  -0.3068714635
N    2.2606144979   1.9877201028   0.6661876811
N    0.6294596028  -0.1653791411  -0.6063824684
N    3.4991244978   2.0822412084   0.1732647053
N    3.5497769924   1.3948533816   2.3087282674
C    1.0948740977   2.2500756273  -0.1368061070
C   -2.2263135817  -0.1940617847  -0.7318494511
C    0.2425945504   1.0166081822  -0.3755268319
C   -3.6990522698  -0.0790269536  -0.4839761786
C   -4.2181084698  -0.3235328677   0.7840816652
C   -4.5680461845   0.2871455874  -1.5061782842
C    1.9695065957  -0.5230187474  -0.7138855643
C   -5.5778171910  -0.2229309399   1.0294937143
C   -5.9320316059   0.3929421826  -1.2781083752
C    2.3079878716   1.5736574584   1.9346998024
C    2.5662398309  -1.3016664065   0.2776052295
C    2.7218710432  -0.2187816525  -1.8449589777
C   -6.4241797226   0.1340380532  -0.0090753751
C    3.8779634144  -1.7299773119   0.1759946296
C    4.0282748146  -0.6552210216  -1.9770614690
C    4.5989461370  -1.4001460222  -0.9592304801
C    4.2307692956   1.7084838570   1.1883066961
H    1.4267133609   2.6498375961  -1.0945920602
H    0.5003813899   3.0308200457   0.3392709237
H   -1.7744115361  -0.9639745819  -0.1081676474
H   -2.0099786243  -0.4269073722  -1.7734327255
H   -3.5572163073  -0.6051377312   1.5944496128
H   -4.1837649022   0.4845896076  -2.4990386845
H   -5.9687252709  -0.4232615311   2.0174730251
H   -6.5981819640   0.6704066315  -2.0833380478
H    1.4275419429   1.4376060580   2.5429109329
H    2.2724026902   0.3636602188  -2.6385533183
H    4.3235319082  -2.3142571090   0.9688869077
H    4.5928163712  -0.4067456148  -2.8647826720
H    5.3067256018   1.6750323774   1.1242019296
*