! 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  -4.7777089564   1.7451173612   0.0859923023
F   -0.6028439368  -2.4494700288   1.3227386945
F   -2.6761424677  -2.8851167673   0.9674866640
F   -1.2488148213  -3.1096571233  -0.6206179983
O    1.9718315229   1.6558298688   0.6321497995
N    2.7029152075  -1.0981913761  -0.5272021976
N    0.4701637704  -0.7922111747  -0.8073663364
N    4.8651084339  -1.5038821159  -0.6664436307
C    1.5007464713  -0.5129907809  -0.1339709503
C    1.5492148459   0.3953481211   1.0690267553
C    2.0183293940   2.6038482924   1.6840931675
C   -0.7530905860  -0.1863792179  -0.5413051146
C    2.1806817080   3.9930081381   1.1070060799
C   -1.8107265911  -0.9136975972   0.0151851399
C   -0.9675777747   1.1412896847  -0.9032835178
C   -3.0470203837  -0.3149284197   0.2125162551
C    2.8593235438  -2.0495348030  -1.5144506314
C    1.0074661195   4.4339086995   0.2425041724
C    3.9564612076  -0.8097532313  -0.0581479513
C   -1.5880672659  -2.3391209685   0.4182851327
C   -2.2005839521   1.7387261733  -0.7166698480
C   -3.2329476340   1.0060643073  -0.1558731401
C    4.1918321150  -2.2874715844  -1.5734845801
H    2.2105289761  -0.0270047159   1.8368248836
H    0.5492555202   0.4388077053   1.5166622668
H    2.8488553507   2.3694843756   2.3636744516
H    1.0936508426   2.5546759225   2.2766374693
H    2.2948958992   4.6771662490   1.9519588953
H    3.1149444236   4.0515989787   0.5402021294
H   -0.1633797818   1.7041629937  -1.3563095034
H   -3.8663389549  -0.8661941635   0.6517845226
H    2.0249166406  -2.4615235280  -2.0541663535
H    0.9156095906   3.8292291671  -0.6599876272
H    0.0631492171   4.3611903276   0.7882468181
H    1.1237942181   5.4723821785  -0.0732515333
H    4.1402060552  -0.0781167863   0.7121646790
H   -2.3484540669   2.7699544382  -1.0075237604
H    4.7090088502  -2.9806728243  -2.2181977603
*