! 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 4
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -5.1741003936  -0.2546624717   0.7204978344
S   -2.0167308075  -1.6018788268  -0.2234779035
O   -1.6872349786  -1.8425532269  -1.6137691243
O   -2.9894001074  -2.4341794757   0.4412780490
O   -1.2887688713  -0.9797646673   2.5795329521
O    5.3261912289   0.2406343606   1.7403917775
O    3.1322706765  -1.8320846015  -1.7848176297
N   -1.7261516366   1.1270599542  -0.2288043862
N   -0.4374238753   1.0923679318  -0.5320374249
N   -3.7303370546   1.9167113949   0.3263828945
N   -0.5504887926  -1.6752984079   0.5448084490
N    0.9305423734  -0.9088758019   2.1595244247
N    3.1260737870  -0.3410051083   1.9623305411
N    2.0222802105  -1.4010411688   0.1670103123
C   -2.5322317628   0.0404300598  -0.0059929630
C    0.1576838658   2.2495552712  -0.6388922539
C    1.6244557889   2.2223379279  -0.9488242514
C   -2.4874964562   2.2419050685  -0.0092377916
C    1.9412764537   1.6603848730  -2.3335529626
C   -0.5328774113   3.4798213452  -0.4682263652
C   -1.8560518995   3.4849251284  -0.1530732023
C   -3.7548250944   0.5878776545   0.3350567664
C    1.3725867407   2.5040825921  -3.4627154159
C   -0.3708130409  -1.1780777035   1.8123189136
C    2.0723970310  -0.8853547344   1.3832507137
C    4.2317519640  -0.2952917466   1.2303761893
C    3.1354328509  -1.3407481167  -0.5578805763
C    4.3036360291  -0.7832497178  -0.0697852812
C    5.2859588683   0.7834913890   3.0588440821
C    1.9268850510  -2.3886342792  -2.3053768093
H    2.0208331713   3.2353479667  -0.8647679111
H    2.1323271823   1.6315467039  -0.1832139911
H    1.5607994839   0.6396001891  -2.4086469075
H    3.0267105414   1.5941926633  -2.4305445385
H    0.0098526169   4.4067408420  -0.5838690158
H   -2.4175769900   4.3955769136  -0.0040077449
H    1.7387588252   3.5311017981  -3.4134658062
H    1.6573366383   2.0983652252  -4.4335705386
H    0.2819773534   2.5405769618  -3.4349139092
H    1.0408252254  -0.5364789497   3.0936391618
H    5.2090638954  -0.7335955246  -0.6562268215
H    5.0462591010   0.0234403912   3.8012494687
H    4.5709410732   1.6019084565   3.1345044444
H    6.2855425130   1.1644593415   3.2474669644
H    2.1729714159  -2.7416823584  -3.3025485316
H    1.1375271703  -1.6401048851  -2.3854330616
H    1.5771064263  -3.2302168568  -1.7076165999
H    0.2920142777  -1.7045639481  -0.0526775991
*