! 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  -2.9061909819   1.3965312301   1.9935646536
S    1.3430353505  -1.9562847114   1.0591224220
O    2.2515304015   1.7416085174   1.6702995780
O    1.5585199601  -3.3851694868   1.1312275726
O    1.2028538092  -1.1853970066   2.2820954210
O    0.6896115143   1.2559563211   0.1422349371
O    0.5463542056  -2.6863944227  -1.6855552096
O   -4.5900997982   1.6165840878  -2.7076427123
N   -0.0681411080  -1.6482868973   0.2372310912
N   -1.2799469643  -1.3596993250  -1.7235680729
N   -2.9350053338   0.1224986578  -2.2203151381
N   -2.1430625560  -0.0554079003  -0.0054071484
C    2.6345551898  -1.2336308156   0.0874796213
C    2.7871136672   0.1526150882   0.0473765317
C    3.5368817509  -2.0753922170  -0.5422236849
C    3.8688625445   0.6835668950  -0.6386309117
C    4.6062492434  -1.5280453987  -1.2346254293
C    4.7711726642  -0.1538520552  -1.2808214222
C    1.7806868795   1.0955592477   0.6275796641
C   -0.2114066038  -1.9496195732  -1.0900827226
C    1.3685291944   2.6772637331   2.3276524451
C   -2.1506436495  -0.3887617688  -1.2830505657
C    2.0884643139   3.2154771352   3.5353740702
C   -3.7711215479   1.0670585266  -1.8376587412
C   -3.8271689117   1.5389108722  -0.5171329503
C   -2.9642544870   0.9211593554   0.3446708559
C   -4.5505885268   1.1821258876  -4.0682502812
H    3.4206115934  -3.1480537275  -0.4941796712
H    4.0056223281   1.7557048268  -0.6841230172
H   -0.7071888807  -0.9427929249   0.6328908202
H    5.3101230502  -2.1808136812  -1.7310770308
H    5.6064796291   0.2749429030  -1.8168387224
H   -1.3565435204  -1.5918654514  -2.7053661043
H    0.4494896277   2.1612567352   2.6117197922
H    1.1091582022   3.4772554304   1.6329640151
H    2.3412943199   2.4243720172   4.2411809875
H    3.0005220724   3.7442569490   3.2590713562
H    1.4359336656   3.9221408475   4.0472962720
H   -4.5011544744   2.3267933597  -0.2183458019
H   -3.5763495985   1.3695439361  -4.5174646584
H   -5.3038491893   1.7706675229  -4.5832207547
H   -4.7955489270   0.1247274823  -4.1568597791
*