! 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 "1-OCTANOL"
end
*xyz 0 1
Cl  -0.6822708789   0.9006729193  -2.4268960138
Cl  -4.8614559305   2.9748323903   0.1753091357
F    2.9310407864  -1.4229895795  -0.7634985761
F    3.1332917091   0.6521001051  -1.3294037126
F    5.0250832617  -1.1327411792   1.0205452683
F    5.2447812071   0.9466939139   0.3820799948
O    2.6532335695   0.1474825980   0.7995543914
N   -0.9345627390  -2.3152756122   0.8856893031
N   -1.0422212298  -2.8503446200  -0.3295429840
N   -2.7916907502  -3.4320174375   0.9403888374
C    0.2418023203  -0.2452701103   0.2901571809
C    0.1732801933  -1.4542260406   1.2242048146
C    1.3462454277   0.7263175326   0.7074831290
C   -1.0462176851   0.5417826936   0.2459853082
C   -1.5376873482   1.1001256729  -0.9329069709
C   -1.7738480497   0.7913801024   1.4073178771
C    3.3251090685  -0.2044072128  -0.3009954530
C   -2.7062286892   1.8457606126  -0.9700108289
C   -2.9430742868   1.5316372351   1.4063388697
C   -1.9841869625  -2.6636194145   1.6314816354
C   -3.4022941103   2.0498778834   0.2079585144
C    4.8240041858  -0.2774882928  -0.0066102133
C   -2.1693687302  -3.5117650922  -0.2508286856
H    0.4455157131  -0.6217607726  -0.7125988860
H    1.0946906453  -2.0312440255   1.1615414649
H    0.0562166330  -1.1627623798   2.2676714571
H    1.3587755954   1.5916134337   0.0424746774
H    1.1545366408   1.0991122424   1.7138165200
H   -1.4242599061   0.4049539737   2.3561686264
H   -3.0632016531   2.2592293883  -1.9033088758
H   -3.4824491693   1.6975174614   2.3285651334
H   -2.1102276124  -2.3452344454   2.6550386563
H    5.4001146981  -0.6032688260  -0.8741544413
H   -2.5569428720  -4.0753242652  -1.0860863698
*