! 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  -0.3976150080  -0.3281247998   2.6266666968
Cl   1.9010920854  -4.1203679677  -0.3264188497
O   -1.7398571662   1.4453613919   0.6710301355
O   -0.7917727837   1.8793755532  -1.2862996260
N    1.7964281911   2.2207852123   0.3125528006
N    2.2275104738   2.5314220485  -0.9115611562
N    3.8707537016   1.5885699971   0.2834487410
C   -0.5179937203   1.4177050314   0.0004058949
C   -2.7820612556   1.2105624234  -0.2744941746
C   -2.0726783689   1.3763937551  -1.6281681276
C   -3.4271773014  -0.1502081901  -0.0842942591
C    0.4240529561   2.4049819017   0.7012642147
C    0.0800652090   0.0089901329  -0.0471662006
C   -4.6276261009  -0.3503408355  -1.0029459747
C    0.1607513032  -0.8275255094   1.0640536102
C    0.6170355749  -0.4676324875  -1.2395881256
C   -5.2631729277  -1.7210420500  -0.8304609367
C    0.7158515658  -2.0962227285   0.9884379950
C    1.1769603353  -1.7290705247  -1.3454343709
C    2.7826446429   1.6517953324   1.0106068280
C    1.2144797507  -2.5379625625  -0.2241374220
C    3.4750982044   2.1375885603  -0.8820801041
H   -3.5316176706   1.9938673362  -0.1259176273
H   -1.9911013820   0.4225356069  -2.1627016540
H   -2.5602938985   2.0951256959  -2.2858450195
H   -3.7477980164  -0.2512012423   0.9563758630
H   -2.6879132138  -0.9378665447  -0.2649492495
H    0.3637646947   2.2686345083   1.7792611173
H    0.1146967379   3.4257995641   0.4758565365
H   -4.3294169971  -0.2229519990  -2.0485855662
H   -5.3711797022   0.4271891426  -0.8035039199
H    0.6012922788   0.1601078403  -2.1192876749
H   -4.5578301702  -2.5188238741  -1.0713054471
H   -5.5980144147  -1.8779296726   0.1968238745
H   -6.1307493855  -1.8428225703  -1.4804255284
H    0.7589195728  -2.7259874672   1.8661527786
H    1.5769402668  -2.0676294053  -2.2909814161
H    2.6638027473   1.3152946470   2.0292109434
H    4.1274031835   2.2533550543  -1.7338688787
*