! 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  -4.6794898222   1.6378676562   0.9853471306
F   -2.1228729494  -1.3716181426  -2.3219958531
F   -0.0376810799  -0.9741079804  -2.0125839064
F   -0.9812303851  -2.6180026728  -0.9993254255
O    1.1542409159   1.9102406592   0.5302868945
N    2.8473768691  -1.3385689162   0.7062347965
N    0.6243526333  -0.9211243574   0.7488044946
N    3.8897464652  -3.2800725363   0.7731185440
C    1.7799352626  -0.4290762887   0.6793759521
C    2.2138917936   1.0181142717   0.5591733259
C    0.7108977136   2.3078348577  -0.7576273261
C   -0.5864761448  -0.2550722301   0.7882124958
C    1.5112111962   3.4749103382  -1.3081162462
C   -1.5160498756  -0.4580908386  -0.2391934099
C   -0.9715381051   0.5012016094   1.8952392657
C   -2.7724045441   0.1341176746  -0.1823505161
C    4.2006204108  -1.0618719422   0.6846977182
C    0.9791815037   3.9221671956  -2.6611325774
C    2.7306374631  -2.7005661408   0.7605104067
C   -1.1643700496  -1.3507141605  -1.3901495138
C   -2.2230750833   1.0781351749   1.9619579628
C   -3.1141081065   0.9023920811   0.9134637964
C    4.8168125552  -2.2682877597   0.7289814761
H    2.8632027793   1.1065289235  -0.3213524963
H    2.8385594945   1.2522827666   1.4279594246
H   -0.3368893120   2.5956994688  -0.6417657708
H    0.7358914054   1.4675638309  -1.4606478495
H    1.4683197081   4.3044562859  -0.5976069062
H    2.5650180640   3.1960700136  -1.4043138064
H   -0.2803576640   0.6337251939   2.7163308856
H   -3.4884426002  -0.0065323412  -0.9797857708
H    4.6050887220  -0.0656147367   0.6462220145
H   -0.0640455145   4.2372471414  -2.5967014164
H    1.5515779821   4.7653402849  -3.0481616357
H    1.0364018865   3.1213525243  -3.4007283331
H    1.7702477474  -3.1886968217   0.7791689561
H   -2.4974177065   1.6664207675   2.8270480091
H    5.8772350426  -2.4652417648   0.7306137451
*