! 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  -0.3113532021   0.5904824708  -2.2031624158
F    5.1177703384  -0.7017638217   0.0570084386
O   -0.5488391191  -0.1681151798   2.2903281024
N   -1.8767716942  -3.4855283358   0.2226319666
N   -3.3016196524  -1.9035731449  -0.7900181636
C   -0.4258491127  -0.0838533640   0.8862058991
C    1.0653235543  -0.2957190664   0.6191694183
C   -0.7913233237   1.3232972212   0.3906823788
C   -1.3222837786  -1.1679284626   0.3094714045
C    1.5663847266  -1.1962711506  -0.3116146587
C    1.9695553969   0.4726567464   1.3522448659
C   -0.7334080428   1.7130083130  -0.9496537612
C   -1.1424167795   2.3064384694   1.3135662657
C   -1.0823787960  -2.5037756482   0.6192740918
C   -2.4927009373  -0.9283388780  -0.3932059432
C    2.9333797105  -1.3422848329  -0.5072395556
C    3.3357480008   0.3432807572   1.1703373470
C   -1.0178384921   3.0098525810  -1.3501826035
C   -1.4290636422   3.6070261760   0.9281732551
C    3.7951597484  -0.5691149481   0.2398861743
C   -1.3668372055   3.9628266694  -0.4080680874
C   -2.9461152544  -3.1362534858  -0.4766242556
H    0.9035318050  -1.8021877693  -0.9129266647
H    1.6168987389   1.1946181976   2.0772060756
H   -1.1817758822   2.0626867860   2.3654732171
H   -1.4835971536  -0.1531238414   2.5312429484
H   -0.2223999835  -2.7931869603   1.2139557706
H   -2.8124925160   0.0787730694  -0.6349462626
H    3.3131692243  -2.0477777633  -1.2343258725
H    4.0296686021   0.9437525068   1.7437206814
H   -0.9638841159   3.2728297333  -2.3979687255
H   -1.6961859726   4.3389996987   1.6785598509
H   -1.5858731129   4.9739391070  -0.7240116466
H   -3.5950077187  -3.9364429310  -0.8126765244
*