! 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   2.5063632782  -0.5301290752  -1.7966553276
Cl   0.8978756210  -5.4464811491  -0.5331094252
O   -1.0686054799   0.7777330946   0.6360086318
O    0.1312111745   1.1699346569  -1.2178419938
N    1.0070500744   2.5547996268   1.1049261215
N    0.3238845450   2.9861364527   2.1696863313
N    0.6867428511   4.6730981046   0.7341783848
C    0.1644646888   0.5309053827   0.0247401034
C   -1.9527265807   1.4117892229  -0.2888758987
C   -1.2281947268   1.2218684716  -1.6104456655
C   -3.3293546493   0.7862924410  -0.2372653652
C    1.2689216343   1.1566812861   0.8851414496
C    0.3798027016  -0.9736665295  -0.1283956148
C   -4.0311289797   0.8979038374   1.1128817277
C    1.3869445676  -1.5212873245  -0.9220824199
C   -0.4483900921  -1.8636361755   0.5491919855
C   -4.2821483758   2.3292356585   1.5648070005
C    1.5526143890  -2.8920035210  -1.0530441798
C   -0.3036595961  -3.2362295995   0.4405389531
C    1.2012818630   3.5668838740   0.2570872894
C    0.6989479230  -3.7387052595  -0.3687730009
C    0.1636626244   4.2547378752   1.9030270845
H   -2.0057493117   2.4794191383  -0.0433059879
H   -1.5318883588   0.2943308230  -2.1114439890
H   -1.3645014812   2.0523597035  -2.3007942927
H   -3.2518198029  -0.2660753413  -0.5266714835
H   -3.9393317523   1.2744488768  -1.0042579063
H    2.2441793389   1.0463565977   0.4148506672
H    1.3124132220   0.6601700826   1.8525607993
H   -3.4550993221   0.3662710933   1.8745896409
H   -4.9860898560   0.3725739400   1.0405531917
H   -1.2369409061  -1.4813769582   1.1806890085
H   -4.8778655994   2.3506565161   2.4780637987
H   -3.3552386100   2.8654076784   1.7751303800
H   -4.8253025939   2.8957886717   0.8054650894
H    2.3365815013  -3.2884756569  -1.6827740526
H   -0.9693946408  -3.8964212702   0.9782167780
H    1.7376612296   3.4633949709  -0.6721139707
H   -0.3487828029   4.9132230703   2.5867379708
*