! 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  -2.6826408605  -2.7660117093  -0.0506977104
Cl  -5.1829047958  -1.3235140616   0.1831823995
F    2.9576587278   0.1515860997   2.7698195521
F    3.6344981329  -1.9239953698   2.7227805117
O    1.3862173244   0.7840566879  -1.8060907654
N    1.1461098621   1.0783507863   0.4309536530
N    5.0680056075  -0.8729991937  -0.7916473678
N    4.7873440041  -1.2365136620   0.4527006669
C   -1.4918340551   0.0846842975  -1.0901388550
C   -3.4559856855   1.2207792274  -0.8986944797
C   -1.7588317385   0.6035950388  -2.5292639915
C   -3.0945378134   1.3782570017  -2.3978050831
C   -2.9184396649  -0.1685127537  -0.6604048771
C   -1.2143380492   1.2951723134  -0.2280345061
C   -2.4234830604   1.9923002693  -0.1135255099
C   -0.0832759752   1.7618341427   0.4209853021
C   -2.5344129129   3.1484657329   0.6283895765
C   -3.5116854885  -1.2658447400  -0.2382987409
C   -0.1941209209   2.9307086036   1.1824446847
C   -1.3960242566   3.6093229223   1.2866712449
C    1.8048203965   0.6317310112  -0.6721279235
C    3.0795461721  -0.0556300224  -0.4148553238
C    3.5905223249  -0.7511631205   0.7041813473
C    4.0806914214  -0.1753362708  -1.3580711233
C    2.9423718745  -1.0007285046   2.0216099755
C    6.3324992889  -1.2330516618  -1.3938522813
H   -0.7919258733  -0.7420643218  -1.0188444546
H   -4.4938072403   1.4208191930  -0.6460978360
H   -1.8618098705  -0.2411941723  -3.2109859238
H   -0.9377548887   1.2203910413  -2.8860530986
H   -3.0098004288   2.4282612785  -2.6772778551
H   -3.8736695202   0.9338048728  -3.0176794189
H   -3.4774804208   3.6716192081   0.7197697665
H    0.6769351981   3.3054246513   1.7066513242
H   -1.4460548550   4.5039510958   1.8933000793
H    1.6898060521   1.1967643052   1.2724687612
H    4.1467111838   0.1962006070  -2.3676518506
H    1.9043971286  -1.3268202118   1.9380583699
H    6.1687178964  -1.8139970212  -2.2988394187
H    6.8924967595  -1.8315817932  -0.6825524562
H    6.9043334827  -0.3401938174  -1.6378793111
*