! 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  -0.2072549373   2.9861775526   0.0698326102
Cl  -3.3357545857  -1.4586277080   0.1234851642
F   -0.7638748006  -2.6820283889  -0.5012007805
O    1.8235079186   1.0207097402  -0.5339132038
O    4.1312666008  -1.5872041804   0.1837623062
O    2.8086650671  -0.4225851710   1.5648170166
N    0.5067383473  -0.8501301944  -0.5148023725
N   -2.7932709881   1.4931812229   0.3480180526
C   -1.7240448499   0.7380034521   0.0810743257
C    0.6288917960   0.4563622203  -0.3766574198
C   -0.4432367755   1.2864309389  -0.0885377015
C   -1.8214534963  -0.6616971726  -0.0650093542
C   -0.6813273062  -1.3659935827  -0.3591315686
C    2.9206362354   0.1683123624  -0.7629882232
C    3.2527200288  -0.6399608277   0.4697499817
H    2.7676814737  -0.4843446146  -1.6247970277
H    3.7647271181   0.8235114214  -0.9879813184
H   -3.6790145161   1.0732918857   0.5705260878
H   -2.6932559624   2.4731959449   0.5483383738
H    4.3835827424  -2.0689934428   0.9866543658
*