! 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  -1.5242209053   0.0156389258  -2.7993694115
Cl  -4.7768823751   2.9985394994   0.2037487819
F    4.2069256428   1.4095664906   0.4846615075
F    3.3537932022  -0.1034365731   1.7680780304
F    5.2975271230  -0.5639885582  -1.1147395373
F    4.4234783136  -2.0800608709   0.1945171092
O    2.7298920811  -0.0248618676  -0.3752682892
N   -0.8610462840  -2.0124761719   0.7974470574
N   -1.2603255768  -2.6751097032  -0.2873415000
N   -2.7895281412  -2.8417578394   1.3388039163
C    0.3310884398  -0.1709493849  -0.2925812056
C    0.3647058966  -1.2511715898   0.7962089286
C    1.5352864228   0.7576564081  -0.2089479319
C   -0.9370788289   0.6429008525  -0.2132683415
C   -1.8372735023   0.7631769838  -1.2691405356
C   -1.2656277030   1.2988139491   0.9719924494
C    3.7334609932   0.1378249662   0.4842351998
C   -3.0174843957   1.4841626611  -1.1529860513
C   -2.4316285482   2.0277170899   1.1191421798
C   -1.7834082013  -2.1106649047   1.7557596329
C   -3.3043232330   2.1080467040   0.0471082185
C    4.8830102677  -0.8101108862   0.1468954636
C   -2.4187290585  -3.1581951332   0.0835955141
H    0.3712735432  -0.6809927597  -1.2557819995
H    1.1996537342  -1.9310183007   0.6308872812
H    0.4795157562  -0.8235584797   1.7922307317
H    1.5007806947   1.4870981408  -1.0189780217
H    1.5431612671   1.3091057700   0.7333212687
H   -0.5951131512   1.2389321408   1.8205027091
H   -3.7002577383   1.5528016024  -1.9882069316
H   -2.6532427653   2.5183313954   2.0564008678
H   -1.6775592582  -1.6469772059   2.7239555600
H    5.7214157153  -0.6979739893   0.8357201064
H   -3.0198468372  -3.7638145907  -0.5768077012
*