! 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  -0.5713259360  -2.2403698678  -0.7911664756
Cl   2.7817134123  -2.3041666887  -0.1951660417
S   -2.7737345668   2.9058403074   0.3302137325
O   -0.0034454292   1.4159743782   0.6972232774
N   -2.4397441177   0.6099504321  -1.0244302346
N   -3.1697074130  -0.4707165666  -1.3720332824
N   -4.4820281364   0.8640783880  -0.2568662661
C   -0.4179883255  -0.8997260482   0.3727816566
C    0.0784846216  -1.2668027255   1.7257591558
C   -1.3723866493  -0.9439640929   1.5220020363
C   -0.0399380604   0.4235213270  -0.2938371055
C   -1.0514030010   0.7758331538  -1.4018612037
C    1.3488978248   0.3723988882  -0.9672537294
C    2.4974321103   0.3971638983   0.0003527378
C    3.1886544609  -0.7354031213   0.4238893483
C    2.9243761200   1.6205749740   0.5189581285
C   -3.2541717027   1.4329717230  -0.3262681165
C   -4.3815503278  -0.2836660240  -0.8853076252
C    4.2301186020  -0.6669824497   1.3397799465
C    3.9599178518   1.7106604074   1.4331854673
C    4.6111894033   0.5600778823   1.8531323555
H    0.7000854863  -0.5472296061   2.2411183538
H    0.3530729805  -2.2986247354   1.8943159859
H   -2.0850581399  -1.7572357160   1.5484396713
H   -1.7519110414  -0.0066136314   1.9084886458
H   -0.8784518423   0.1787244035  -2.2950979306
H   -0.9205459691   1.8187378369  -1.6932379937
H    1.4295647953   1.2532939397  -1.6098257559
H    1.4057287898  -0.4913972455  -1.6286717548
H   -0.8223203775   1.9523169250   0.6767364492
H   -2.7529658610  -1.2882276799  -1.7985551012
H    2.4312515194   2.5237062851   0.1867719337
H   -5.1663842676  -1.0107276003  -1.0164413819
H    4.7409321009  -1.5688376866   1.6467998659
H    4.2589803912   2.6768551271   1.8151308998
H    5.4214202472   0.6133039484   2.5675399690
*