! 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   0.3498136917  -1.2070853186  -2.0997312204
Cl  -4.4378196601  -1.1788407718   0.2684281947
O    3.5697753572  -1.3362152045   0.5281220061
N    2.2360460424  -1.5566793835   0.3843824050
N   -0.3446769581   3.6635853022   0.5267638946
C    1.9735714795   0.7753942474   1.2102363269
C    1.5094112141  -0.5676713288   0.7081600440
C    0.0470089458  -0.7619736835   0.5673836093
C    1.2637340620   1.8838657857   0.4848032079
C   -0.5717669274  -1.0513410454  -0.6468083418
C   -0.7693076077  -0.5933361086   1.6835620480
C    1.4902738750   2.1196985077  -0.8663776227
C    0.3311666892   2.6914182500   1.1246690531
C   -1.9488816509  -1.1842559204  -0.7473861868
C   -2.1443520005  -0.7224153961   1.6125387136
C   -2.7214971328  -1.0196523138   0.3888639252
C    0.7900837391   3.1304556049  -1.5026466661
C   -0.1186447175   3.8728269216  -0.7635627116
C    4.2977684594  -2.4435345889   0.0313258428
H    1.7730328532   0.8440167649   2.2839256746
H    3.0522710331   0.8758878178   1.0942745101
H   -0.3185928568  -0.3628542542   2.6404377114
H    2.2079380057   1.5219536312  -1.4156214096
H    0.1263131689   2.5447126490   2.1810382298
H   -2.4081150690  -1.4058536308  -1.7008047093
H   -2.7511615551  -0.5910750812   2.4975192243
H    0.9420789968   3.3412578236  -2.5523779228
H   -0.6863321039   4.6681266992  -1.2337406574
H    4.1185424006  -2.6010949027  -1.0347309982
H    4.0617910079  -3.3620612581   0.5734424003
H    5.3497177298  -2.2061627033   0.1802464931
*