! 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  -1.2574640991   0.7839570432   2.0690737058
Cl  -5.3364291141  -0.6264736685  -1.0801265725
O    2.7858433899   2.4187281458  -0.1069532500
N    1.1958800186  -0.6900193690   0.8945058386
N    1.6941609819  -0.8138132539   2.1321610746
N    0.5531950700  -2.6576291068   1.5580034281
C    3.7399244485   0.3788273544  -0.9224873274
C    2.8052648556   1.0320400080   0.1259542810
C    5.1514654485   0.9324512623  -0.7082538293
C    3.2851992968   0.6773064658  -2.3497004520
C    3.7830593986  -1.1372574592  -0.7209084729
C    1.3952448984   0.4746905242   0.1243528573
C    0.3972167751   1.0231924323  -0.5672522988
C   -1.0090540936   0.5987618490  -0.6299848265
C    0.5225672767  -1.8018784710   0.5702634253
C   -1.8452057127   0.4593012307   0.4780761985
C   -1.5713680030   0.3640836677  -1.8856302074
C    1.2772348369  -1.9986292505   2.4864322462
C   -3.1737258613   0.0830546535   0.3502323705
C   -2.8909262716  -0.0174046193  -2.0428128859
C   -3.6821093628  -0.1570305238  -0.9140992941
H    3.2369215777   0.8169878772   1.1128821097
H    5.8549170604   0.4417422184  -1.3834623007
H    5.2116422346   2.0038109486  -0.8979847347
H    5.4986185625   0.7517280037   0.3118289837
H    3.9675005703   0.2059439179  -3.0598173812
H    3.2772656320   1.7448589023  -2.5698758772
H    2.2883222517   0.2821034462  -2.5538531441
H    4.5628269806  -1.5685774328  -1.3509769179
H    2.8493352762  -1.6253919089  -1.0034019446
H    4.0123915632  -1.4119514735   0.3110884394
H    0.6520384570   1.8603576277  -1.2061387174
H    2.3066912062   2.8393933072   0.6149299296
H    0.0611709932  -1.9549676820  -0.3921777164
H   -0.9500037020   0.4759599338  -2.7646732223
H    1.5097962857  -2.4120761163   3.4548181989
H   -3.8007353506  -0.0116207670   1.2256684184
H   -3.2915843635  -0.2002752465  -3.0297481213
*