! 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  -5.7885271789  -0.8936301289  -1.8432933562
S    1.6323677535  -0.4382404738   1.8572873463
O    2.8594999224   2.0888371435  -1.1655146100
O    1.9047473115  -1.2709030548   3.0092343282
O    1.7169679301   1.0043995766   1.9862548257
O    0.8779292902   1.0784406306  -0.8873316920
O    0.3155960116  -2.9565501326   1.0686893983
O   -2.8478068956   2.4339150887   0.4471579208
N    0.0732371037  -0.7168363041   1.3470717286
N   -1.5821327097  -1.9937950987   0.3246600430
N   -2.1973313974   0.2463228141   0.3998420128
N   -3.5413521847  -1.3796556128  -0.6558016791
C    2.6827570423  -0.9660383045   0.5276862433
C    2.8791900673  -0.1667055787  -0.6014791307
C    3.3847702898  -2.1487098175   0.6976693549
C    3.7939937472  -0.5847392805  -1.5582984212
C    4.2782011209  -2.5609050809  -0.2798333811
C    4.4812224446  -1.7807178657  -1.4044000394
C    2.0830666114   1.0659695508  -0.8777187769
C   -0.3469623324  -1.9498395713   0.9294289016
C    2.2427154328   3.3528531698  -1.4915177155
C   -2.4702463646  -0.9908204724   0.0142826672
C    1.9317729443   4.1511404911  -0.2485953310
C   -3.0688678977   1.1891187567   0.0850741832
C   -4.2369707139   0.9044429959  -0.6251850659
C   -4.3935378420  -0.4183922423  -0.9573166566
C   -1.6435973642   2.7402543193   1.1529554020
H    3.2496972832  -2.7505398743   1.5836033575
H    3.9605351280   0.0143479843  -2.4428512392
H   -0.5060401855   0.0935755083   1.0965348461
H    4.8177787493  -3.4884256059  -0.1515822845
H    5.1800718220  -2.0961866373  -2.1665779711
H   -1.8556434636  -2.9187349242   0.0189337943
H    1.3533062235   3.1890129158  -2.0996576797
H    2.9809180827   3.8655947504  -2.1049322188
H    2.8315204609   4.3503815126   0.3332433385
H    1.5059232977   5.1106934686  -0.5443188904
H    1.2063272229   3.6534102500   0.3943439128
H   -4.9509480788   1.6697487948  -0.8873664110
H   -0.7699842810   2.5166630602   0.5424154869
H   -1.5867440752   2.2039898703   2.0998142053
H   -1.6810167421   3.8075838764   1.3495676024
*