! 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  -4.9658736155  -0.4855494920  -0.3369512429
Cl   5.4217448335   0.1892781058  -0.8150440743
F    1.1404696118  -0.8255884640   1.5887647751
O    3.8725034290  -0.6106332221   1.5008334241
O   -2.3046661814   1.3298944033   2.5486456492
O   -4.1651504790   1.7504352946   1.3925952590
N   -1.1519911055   0.4042816464   0.3730334472
N   -3.3007912345  -1.8871001937  -2.3350819324
C    0.9321501498  -0.1679164082  -0.6582512570
C   -0.5419291407  -0.2723160569  -0.5937044117
C    1.7183053203  -0.4241145452   0.4537913084
C   -1.2199233693  -1.0328538852  -1.5257263895
C    1.5757879465   0.1779588911  -1.8429712991
C   -2.6169654885  -1.1159213350  -1.4747179434
C    3.1060688407  -0.3238909811   0.4367480581
C   -2.4751152410   0.3604159540   0.4304857094
C    2.9539521428   0.2827395510  -1.9040052596
C   -3.2485222413  -0.3737094214  -0.4568476093
C    3.7061805091   0.0461433914  -0.7653080381
C   -3.0914189214   1.2161454459   1.4948559227
C    3.6655308687   0.1414236573   2.6959242523
H   -0.6800584892  -1.5874127138  -2.2829322863
H    0.9887041753   0.3877303813  -2.7271985225
H    3.4383987639   0.5680004794  -2.8272494623
H   -2.8240462007  -2.2954517189  -3.1203544976
H   -4.3027390707  -1.8384338979  -2.3955602900
H    4.6284405130   0.1998196842   3.2006275418
H    2.9549592179  -0.3475938725   3.3622942251
H    3.3235920414   1.1559372705   2.4842718464
H   -2.7186124843   1.9161205065   3.2006117556
*