! 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  -5.0529743776   1.4891061719   0.7118201991
F   -2.7316198682  -2.4669206828  -1.6447113316
F   -0.6931677073  -1.8359170681  -1.8842310387
F   -1.2491091290  -3.0814630445  -0.2197904181
O    2.0241269297   2.0275578441   0.3380604545
N    2.6202680031  -0.9076922633   0.3290523628
N    0.3695827670  -0.8149927829   0.5753858674
N    4.7830935412  -1.3369490143   0.2985454962
C    1.4098224187  -0.2382006414   0.1525479035
C    1.4767748700   1.0928425334  -0.5530254706
C    1.9521028431   3.3654432441  -0.1314089471
C   -0.8851361361  -0.2251449114   0.5528448225
C    2.9675855983   3.7012381987  -1.2098419255
C   -1.9312767858  -0.8290950785  -0.1558507442
C   -1.1581429184   0.9112654853   1.3116971452
C   -3.2101362882  -0.2943970519  -0.1128616346
C    2.7802373404  -2.1565189263   0.8948248959
C    4.4108550587   3.5936079706  -0.7437192161
C    3.8725249287  -0.4686749955  -0.0070601933
C   -1.6524782934  -2.0534386529  -0.9738152630
C   -2.4347991135   1.4411906915   1.3654876691
C   -3.4532337439   0.8347543899   0.6507833845
C    4.1129579083  -2.3966806922   0.8622945434
H    0.4662182497   1.3781273843  -0.8663924281
H    2.0652000062   0.9825106173  -1.4725897140
H    2.1221275874   3.9947170245   0.7452084356
H    0.9372500909   3.5800207034  -0.4910298312
H    2.8073320767   3.0803270424  -2.0964860752
H    2.7621517548   4.7264630891  -1.5296679505
H   -0.3641025584   1.3752319179   1.8819458570
H   -4.0206337196  -0.7481865359  -0.6656863818
H    1.9477178716  -2.7391013839   1.2473019465
H    5.1031524462   3.8594181112  -1.5432504729
H    4.6060845214   4.2629491976   0.0964521771
H    4.6672114988   2.5844899737  -0.4194599242
H    4.0534630820   0.4889950517  -0.4653525498
H   -2.6262510940   2.3209790201   1.9645082220
H    4.6327790289  -3.2758067808   1.2088871091
*