! 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  -0.1664270077  -1.0352737053   0.8676187492
Cl  -4.2759510890  -2.2579492355   1.9571049164
Cl   4.3400520671  -3.2235151594  -1.0692994124
S   -1.0988307265   3.1765234065  -1.0706190554
N    1.9006928992   2.0055370619   0.7936086539
N    0.0780596964   0.8489030259  -1.3762766479
N    1.1760221230   2.1016973215   1.9110871051
N    2.9456181812   0.7572480768   2.2275621229
C    1.4879328009   2.6596827335  -0.4202660042
C   -2.4444449347   2.1424969685  -1.7059812558
C    0.2221548695   2.0435910623  -0.9893290421
C   -2.8807148836   1.0506092734  -0.7729813570
C   -3.0102406221  -0.2505014696  -1.2428416785
C   -3.1965062590   1.3138389476   0.5548301393
C    1.1110141896  -0.0783674594  -1.2999244586
C   -3.4474445337  -1.2724582116  -0.4157796532
C   -3.6272735065   0.3035109595   1.3999882248
C    2.9409562067   1.1943310873   0.9943074473
C    1.0904841195  -1.0630178180  -0.3097702522
C    2.1454416367  -0.1070163693  -2.2312013149
C   -3.7471209867  -0.9848550243   0.9044259394
C    2.0775929783  -2.0290275462  -0.2296079469
C    3.1403279537  -1.0693830257  -2.1704234640
C    3.0995015192  -2.0205632950  -1.1651097251
C    1.8407567399   1.3373628641   2.7348402323
H    2.2955156816   2.5768583380  -1.1468305993
H    1.3527147685   3.7222598783  -0.2214724204
H   -2.1539748848   1.7410694838  -2.6759990734
H   -3.2560509744   2.8520100715  -1.8818779799
H   -2.7608719885  -0.4787052326  -2.2709242084
H   -3.1009457533   2.3177539289   0.9491439400
H   -3.5370442448  -2.2803358684  -0.7967592687
H   -3.8666477512   0.5227110147   2.4314665156
H    3.6686960605   0.9724497447   0.2293055156
H    2.1695864798   0.6342812028  -3.0191506987
H    2.0516507856  -2.7694788435   0.5575902173
H    3.9352473728  -1.0693754150  -2.9028281796
H    1.5201046058   1.1953378615   3.7545456158
*