! 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  -5.2876835141   0.8598745833   0.9208799807
F   -1.8671282378  -0.5277461101  -2.6772657664
F    0.0155819540   0.0640332887  -1.8294974966
F   -0.6261191381  -1.9848241710  -1.7044140612
O    2.1565149623   1.5156539529  -0.1243006606
N    2.5329810900  -1.0964603661   0.8953295236
N    0.2648272721  -1.1245299775   0.8732212237
N    3.9334925304  -2.7942470849   0.7634871741
C    1.3109224916  -0.4208974544   0.9052747742
C    1.3836403805   1.0824465103   0.9536741048
C    2.3454405544   2.9165624379  -0.1421989714
C   -1.0162686715  -0.5882008142   0.8661056822
C    3.1535580822   3.2926027629  -1.3645773301
C   -1.7265245766  -0.4213531732  -0.3291945999
C   -1.6546481165  -0.3017677973   2.0701852978
C   -3.0392173992   0.0292535993  -0.3086067022
C    3.7962272111  -0.5834357597   1.1182263209
C    2.4737211630   2.9436836614  -2.6800479334
C    2.6899884148  -2.4410673320   0.6885125155
C   -1.0546327587  -0.7197066894  -1.6347537044
C   -2.9626770747   0.1463306043   2.0940996340
C   -3.6481268418   0.3084514866   0.9017855016
C    4.6347697726  -1.6440556403   1.0361884116
H    1.8100324588   1.3849256571   1.9223352691
H    0.3686405720   1.4950402931   0.9216472420
H    2.8648903509   3.2416094343   0.7700035896
H    1.3739747104   3.4309348700  -0.1576450686
H    3.3315742852   4.3698576019  -1.3140368153
H    4.1374855454   2.8181350311  -1.3095873656
H   -1.1206509032  -0.4448244338   3.0001803431
H   -3.5920606888   0.1663778643  -1.2271594902
H    3.9915541659   0.4543008472   1.3190300947
H    3.0796176976   3.2664035319  -3.5276231305
H    2.3122323109   1.8707936300  -2.7836507213
H    1.5021012395   3.4344793472  -2.7667768075
H    1.8522263767  -3.0867651911   0.4824343398
H   -3.4388671925   0.3638605141   3.0403620157
H    5.7065090639  -1.6456224823   1.1571243143
*