! 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  -0.5872526031  -2.5320948875  -0.0797330507
Cl  -2.8976785255  -2.2093122756   1.6330225953
F    2.3144235680  -1.3737586165  -2.5106159515
F    3.6399051835  -2.6034623963  -1.2814176311
O    2.9082418517   1.5827517706  -1.9072709702
N    1.1370008721   2.5788069478  -0.9656643387
N    1.7476650275  -0.8193089831   1.6692615717
N    2.4093911855  -1.5628223264   0.7905950005
C   -1.2566971541   0.5123787287  -1.0351170279
C   -3.0879832596   0.7544204585   0.2982954800
C   -2.3936538779   0.8553830700  -2.0345638640
C   -3.6413311416   1.0128501668  -1.1282309201
C   -2.0435475423  -0.2867120532  -0.0227741027
C   -1.0345864361   1.7521263730  -0.1989940987
C   -2.1614532127   1.9026794181   0.6153616755
C   -0.0096512595   2.6790544249  -0.1508478354
C   -2.3010797346   2.9816978311   1.4628651235
C   -1.8673840510  -1.5070584892   0.4403059958
C   -0.1387348180   3.7659372041   0.7180271467
C   -1.2694643323   3.9184904747   1.5050885857
C    2.0377248577   1.5704532751  -1.0462011427
C    1.9773684313   0.4680720624  -0.0771909388
C    2.5649935687  -0.8017557510  -0.2671181484
C    1.4575338138   0.3983978013   1.2017575697
C    3.2253725497  -1.3288606667  -1.4944388066
C    1.3543739795  -1.3698997337   2.9458285788
H   -0.3819537623   0.0450090535  -1.4778303957
H   -3.8359477778   0.5178469703   1.0503145869
H   -2.5218404071   0.0365598419  -2.7430185078
H   -2.1630801765   1.7529408588  -2.6079735626
H   -4.1046314732   1.9964278107  -1.2033242318
H   -4.4018203332   0.2706745870  -1.3728022153
H   -3.1800627988   3.1008774236   2.0835886031
H    0.6633720621   4.4909456530   0.7791223962
H   -1.3416274118   4.7697050199   2.1694948653
H    1.3241505290   3.3598285052  -1.5808378308
H    0.9398261812   1.1212610151   1.8103016512
H    4.0781855205  -0.7404324885  -1.8264910928
H    1.7783035463  -2.3648130130   3.0357291182
H    0.2701314722  -1.4379980859   3.0169759000
H    1.7257200436  -0.7498159322   3.7588379048
*