! 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  -0.7301384133  -2.0166495820  -2.2137165022
Cl  -4.4488890261  -1.8910857030   1.6391548288
O    3.2085481872  -0.4065300551   0.0480005148
N    1.9957971781  -0.8677475605   0.4398783210
N    2.9359165727   3.7431556296  -0.4255740275
C    1.1866462414   0.5511296559  -1.4099378410
C    1.0382275953  -0.4316289242  -0.2749088309
C   -0.3110746889  -0.8304791252   0.1825993637
C    1.4205658809   1.9339586607  -0.8577839328
C   -1.2136024559  -1.5113116780  -0.6307645294
C   -0.7221922547  -0.5106470497   1.4745128523
C    0.3932237334   2.6534359340  -0.2573704008
C    2.6723757409   2.5380693925  -0.9127763155
C   -2.4864669693  -1.8438678804  -0.1982810505
C   -1.9865259529  -0.8330187005   1.9368519230
C   -2.8606363082  -1.4911639595   1.0882544439
C    0.6582141347   3.9102462182   0.2606963732
C    1.9465664678   4.4101129919   0.1553218869
C    4.2226407958  -0.9055510110   0.8993643456
H    2.0085372711   0.2596213335  -2.0658793576
H    0.2824184369   0.5561476330  -2.0177759718
H   -0.0400381168   0.0135871151   2.1302569608
H   -0.6080430012   2.2430290356  -0.1998141925
H    3.4997908134   2.0190977052  -1.3847372367
H   -3.1665779213  -2.3768222805  -0.8481283509
H   -2.2805471541  -0.5679183151   2.9426460250
H   -0.1187206108   4.4957618413   0.7329363669
H    2.1861617210   5.3906397669   0.5513071586
H    4.0828246543  -0.5750435787   1.9311033779
H    5.1597427358  -0.4999088071   0.5229160018
H    4.2725790805  -1.9964409128   0.8753071072
*