! 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  -5.9377904368  -0.9162686840  -1.7706642903
S    1.5863706972  -0.4781333703   1.7830918812
O    3.1117804979   2.1990236799  -0.8699315214
O    1.7660478540  -1.3554976179   2.9199115453
O    1.6755381285   0.9576531138   1.9720750411
O    1.1023288084   1.2065589593  -0.9606318977
O    0.2802705389  -2.9639521499   0.8933453010
O   -2.8269760028   2.4583806809   0.2006594864
N    0.0673267533  -0.7183996811   1.1488354688
N   -1.6134327462  -1.9875363213   0.1601519440
N   -2.1939657651   0.2642037486   0.1887871073
N   -3.6208572602  -1.3830484711  -0.7174336679
C    2.7249177437  -0.9653351479   0.5132315623
C    3.0366200376  -0.1007154954  -0.5383269483
C    3.3768507755  -2.1795530063   0.6598716920
C    4.0194623625  -0.4801835912  -1.4415590330
C    4.3384020448  -2.5534050174  -0.2667436666
C    4.6592188993  -1.7051396513  -1.3125629227
C    2.2950089164   1.1705147067  -0.7914714895
C   -0.3708082751  -1.9505038562   0.7493353664
C    2.5532549597   3.5069468209  -1.1141385891
C   -2.5058936172  -0.9833387917  -0.1301631708
C    2.1205146935   4.1648812191   0.1743236600
C   -3.0790652634   1.2034943933  -0.0994888230
C   -4.2945533718   0.9065068613  -0.7200852853
C   -4.4827555874  -0.4243559790  -0.9977693140
C   -1.5670636349   2.7901353627   0.7882216974
H    3.1520714266  -2.8327466808   1.4897500529
H    4.2770550628   0.1728811674  -2.2642466323
H   -0.4948966095   0.1027272220   0.8947328927
H    4.8401625868  -3.5045835783  -0.1592485551
H    5.4135492597  -1.9902388812  -2.0326101994
H   -1.9083877502  -2.9145831696  -0.1177783886
H    1.7336914662   3.4388861960  -1.8292565073
H    3.3615296011   4.0661179959  -1.5804329996
H    1.7498038944   5.1652217222  -0.0483995552
H    1.3211480771   3.6175886833   0.6725456099
H    2.9544428780   4.2641599298   0.8688247518
H   -5.0170923502   1.6708686175  -0.9608117665
H   -1.5966358589   3.8625400493   0.9559248620
H   -0.7490408703   2.5512185339   0.1103630249
H   -1.4240814859   2.2857579261   1.7438181298
*