! 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  -1.8020791160   0.1414083029  -2.9051678283
Cl  -3.2480082930   3.6982278888   0.8096612120
F    4.0280869857  -1.1953457381  -0.3689873511
F    3.8455545855   0.7132342019  -1.3621582056
F    3.6168316415  -0.0225437767   2.0607608129
F    3.3798393287   1.9239540792   1.0966316724
O    2.1021973184  -0.0752671405  -0.2148289310
N   -1.0987142150  -2.6592136272   0.7638880605
N   -1.9064154764  -3.2935684547  -0.0853862553
N   -2.8607866524  -3.1376296377   1.9330613935
C    0.0340681198  -1.1152759077  -0.7747045716
C    0.1839835901  -2.1578688119   0.3331641894
C    1.3971360556  -0.6945476704  -1.2990496436
C   -0.7995593085   0.0783861897  -0.3752442633
C   -1.6560059533   0.7128325617  -1.2740147726
C   -0.7167505005   0.6292450283   0.9018008284
C    3.4281209201   0.0200777691  -0.2724035849
C   -2.4132569325   1.8211612989  -0.9262662023
C   -1.4577793318   1.7347545470   1.2819804892
C   -1.6796771595  -2.5682082793   1.9614434737
C   -2.3070005614   2.3203172996   0.3592726851
C    3.9639184077   0.7119863219   0.9799651564
C   -2.9491825827  -3.5622462607   0.6583092771
H   -0.4492314629  -1.6217782118  -1.6126536678
H    0.7767757046  -2.9935182453  -0.0414084147
H    0.6987778843  -1.7735039528   1.2118744353
H    1.9325188306  -1.5702274158  -1.6727079569
H    1.2854833247   0.0140089622  -2.1218085309
H   -0.0535033987   0.1947940488   1.6373498999
H   -3.0711133094   2.2843917277  -1.6485032952
H   -1.3672533838   2.1303778693   2.2840395392
H   -1.2102512207  -2.0932070034   2.8090968447
H    5.0485509435   0.8288090937   0.9502031710
H   -3.8063749675  -4.0885872240   0.2672782250
*