! 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   2.1571845196  -0.8926814501   3.2186524812
Cl  -3.4157034695  -0.6397226725  -3.8723114700
Cl   3.0630521778  -4.8159760848  -0.3294938104
S   -0.8079876159   2.3655799231   1.7798423629
N    1.5331447457   2.6018992689  -0.0819051933
N   -0.1043998463  -0.1333262369   1.3687912795
N    1.8210444606   3.8743661223   0.2000412416
N    0.9242390980   3.7024500404  -1.8508267187
C    1.6504477964   1.5516426129   0.8971256961
C   -2.4148320727   1.5276692770   1.6446304067
C    0.2848140402   1.0688082841   1.3372538035
C   -2.6748154055   0.9977032829   0.2653593939
C   -2.5632491638   1.8184329946  -0.8535552066
C   -3.0289165271  -0.3336917127   0.0825722130
C    0.6945279910  -1.1972111382   0.9655575992
C   -2.7890532181   1.3236139771  -2.1278310657
C   -3.2676863967  -0.8448477481  -1.1850762590
C    0.9848346080   2.5188321330  -1.2951915528
C    1.7461086606  -1.6880523130   1.7402753038
C    0.3908140703  -1.8663898734  -0.2192614463
C   -3.1383609767  -0.0095365344  -2.2818335545
C    2.4751646349  -2.8016726818   1.3546706890
C    1.1150741047  -2.9700660981  -0.6295586022
C    2.1532249803  -3.4311385184   0.1652558450
C    1.4476705119   4.4887700802  -0.8913199590
H    2.2072437393   1.9445751579   1.7469083730
H    2.2298504612   0.7301055416   0.4770206490
H   -3.1338192286   2.3044092327   1.9127285453
H   -2.4875908915   0.7435529482   2.3955172814
H   -2.2844383698   2.8585715430  -0.7391362541
H   -3.1143397501  -0.9915544556   0.9375891632
H   -2.6941815537   1.9724589525  -2.9877723500
H   -3.5382494909  -1.8845183193  -1.3094157777
H    0.6667184401   1.5862245080  -1.7356379926
H   -0.4325151664  -1.5082210296  -0.8236432981
H    3.2851704018  -3.1623293027   1.9729129666
H    0.8655136757  -3.4642376676  -1.5579371748
H    1.5621886801   5.5553413038  -1.0031619519
*