! 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  -4.7367650184   1.8023662006  -0.3300822403
F   -0.8024913956  -2.7853975908   0.0431709674
F   -0.1464582353  -1.5608930734   1.6823157706
F   -2.1827209436  -2.2316057550   1.5902215903
O    0.9231967115   1.3333334224   1.0344238019
N    2.7814133811  -1.1779074273  -0.8808591029
N    0.6101603517  -0.5728658248  -1.0611388842
N    4.7970055551  -2.0693775129  -0.9725892858
C    1.6937639549  -0.4094732728  -0.4457402244
C    1.9855157822   0.4932821067   0.7368241814
C    1.0213439590   2.6350753740   0.4740299998
C   -0.6125229111   0.0236543867  -0.8075949778
C    1.8825090919   3.5669882954   1.3075682802
C   -1.5415014312  -0.5516296759   0.0698633928
C   -1.0098164908   1.1224753576  -1.5681200715
C   -2.8062799220   0.0020159297   0.2166764798
C    2.7639077583  -2.0824515047  -1.9225336390
C    1.3413322437   3.7959501956   2.7095822071
C    4.0422619787  -1.2198906209  -0.3500921209
C   -1.1722744029  -1.7782282968   0.8436943632
C   -2.2664859187   1.6770368067  -1.4212496994
C   -3.1579112177   1.1171325827  -0.5207161537
C    4.0098397282  -2.6131724511  -1.9587289386
H    2.9080963429   1.0486917033   0.5304119643
H    2.1977423487  -0.1385310845   1.6049447246
H    0.0004484614   3.0193007878   0.4204691945
H    1.4010690631   2.5890787594  -0.5538847858
H    2.9090038044   3.1899388323   1.3565967346
H    1.9409666985   4.5186126720   0.7719091386
H   -0.3192142809   1.5466335302  -2.2845895495
H   -3.5227346293  -0.4310834949   0.9002533860
H    1.8860787417  -2.2547552279  -2.5191619939
H    1.2786266289   2.8673239915   3.2774947118
H    1.9812317199   4.4779292569   3.2707535268
H    0.3418043489   4.2344090491   2.6807146513
H    4.3469877183  -0.6166414633   0.4897334528
H   -2.5456301596   2.5381935089  -2.0132135045
H    4.3889142179  -3.3573893556  -2.6410752245
*