! 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  -5.3572644081  -0.2656031795  -2.4817728969
S    1.5718256510  -0.8748421940   1.9439736016
O    2.6164808878   2.3188152616  -0.3634649498
O    1.8645475359  -1.9430224248   2.8754749665
O    1.6104920016   0.5031310690   2.3993011341
O    0.7181970363   1.1326681759  -0.4836297154
O    0.3478991327  -3.1478381839   0.5182709723
O   -2.8122919404   2.2577477141   1.0002801752
N    0.0231809052  -1.0672665739   1.3675824546
N   -1.5145036411  -2.0279047916  -0.0884362525
N   -2.1645810882   0.1264538602   0.4992156274
N   -3.3080785726  -1.1148097307  -1.1486926508
C    2.6476599820  -1.0438878085   0.5436155849
C    2.7996344642  -0.0015872934  -0.3735503898
C    3.4193531898  -2.1911716908   0.4572352646
C    3.7483184488  -0.1337326078  -1.3775215720
C    4.3453978059  -2.3160767922  -0.5677389744
C    4.5107601370  -1.2889763288  -1.4800026967
C    1.9178992524   1.2037932600  -0.3952133558
C   -0.3307486849  -2.1454901009   0.6015041615
C    1.9111709352   3.5743315803  -0.4700751768
C   -2.3575693923  -0.9513306820  -0.2454713023
C    1.5465770642   3.9028955684  -1.8967828499
C   -2.9707761470   1.1548407007   0.3020405688
C   -4.0094563737   1.1077065644  -0.6307679691
C   -4.1100900558  -0.0795852284  -1.3123236119
C   -1.7481735818   2.3305303876   1.9514069276
H    3.3156042091  -2.9853222726   1.1807462522
H    3.8844480413   0.6595655904  -2.0995787801
H   -0.5633039096  -0.2260337911   1.2924907205
H    4.9402282838  -3.2151636572  -0.6417190860
H    5.2365131884  -1.3795693704  -2.2761665993
H   -1.7403986158  -2.8349674217  -0.6557985789
H    2.6097646786   4.3063558208  -0.0714430279
H    1.0327782635   3.5598995200   0.1755212249
H    2.4266713176   3.9172817712  -2.5388533776
H    0.8194846073   3.2065091916  -2.3120567082
H    1.1031031367   4.8983397582  -1.9212320065
H   -4.6740761912   1.9420713401  -0.7923299693
H   -1.8345381948   3.3100332211   2.4120281732
H   -0.7770465034   2.2510194083   1.4632345901
H   -1.8438911387   1.5642017539   2.7203097262
*