! 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  -0.7753240490   0.1624832933   2.6088797857
F    6.1811032249   0.4080865536   0.6077856347
O    0.2406714421   1.0375129111  -1.5035268432
N   -1.0828810328  -1.5559804263  -1.2236505096
N   -1.5190794892  -1.2674820778  -2.4512651438
N   -3.1919104092  -2.0642848990  -1.1921722572
C    0.7313318923   0.0612138924  -0.6153567233
C   -0.1422978331   1.1457679668  -0.1451494718
C    0.2930491573  -1.3740430132  -0.8494977013
C    2.1899087760   0.1563218622  -0.2956127206
C   -1.5856537444   1.0085860185   0.1782569340
C    3.0710141658   0.7742101782  -1.1750503803
C    2.6790848664  -0.3771282700   0.8935508308
C   -1.9882057049   0.6040257942   1.4459070018
C   -2.5682002425   1.3386899514  -0.7478762469
C    4.4230844876   0.8621954770  -0.8767040994
C    4.0267292286  -0.2981999807   1.2063201058
C   -2.0914817128  -2.0300054157  -0.4845792137
C   -3.3247886843   0.5106455142   1.7953278073
C   -3.9114842742   1.2545360075  -0.4136863817
C    4.8755774024   0.3228323945   0.3105668813
C   -4.2895518714   0.8395823899   0.8545701892
C   -2.7865764293  -1.5845688511  -2.3858855093
H    0.3561534583   1.9517472610   0.3952629125
H    0.4736668160  -1.9593628566   0.0526659016
H    0.9199003488  -1.8022657100  -1.6346098657
H    2.7111574345   1.1969581151  -2.1034936646
H    2.0086415040  -0.8509176267   1.5995927810
H   -2.2773460700   1.6590631287  -1.7396643002
H    5.1109338250   1.3446783497  -1.5586377712
H    4.4072584930  -0.7053344432   2.1337211490
H   -1.9720979910  -2.3408774667   0.5413992443
H   -3.6114070912   0.1802008257   2.7848702702
H   -4.6637879448   1.5085152161  -1.1486153190
H   -5.3373419004   0.7658934339   1.1178054643
H   -3.4465558274  -1.4716631962  -3.2322041289
*