! 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  -0.4561158994   3.2200032502  -0.9521627956
Cl   0.3629997803   4.3045711963   1.8875122958
F    5.3848303578  -2.9412665816  -0.2009869159
F   -2.8737141143  -3.1431550721  -1.3391924604
F   -2.0315647347  -1.7561921558  -2.7912989368
O   -0.2994896198  -1.2679177631   1.6667647399
N    0.0350100506  -1.6936599260  -0.5252988172
N   -3.6670171128   0.7702467747   0.2967636460
N   -3.9603826582  -0.0050919306  -0.7351658847
C    2.3263067622  -1.0362651901   0.0264964366
C    1.4094954020  -2.0020257017  -0.4115573261
C   -2.0085913595  -0.6477144804   0.1812277810
C    1.8894921738   0.3139836597   0.4395660826
C   -2.9676166200  -0.8657365745  -0.8316053891
C   -0.7050451350  -1.2486647865   0.5180836130
C   -2.5175619172   0.4218491584   0.8854342438
C    3.6730493924  -1.3762203918   0.1059654288
C    1.8493199133  -3.2676127060  -0.7707260531
C    1.0795482721   1.0928388910  -0.3802129837
C    2.2497072140   0.8062375509   1.6904821197
C    4.0801538301  -2.6408355565  -0.2682476347
C    3.1935543431  -3.5992957104  -0.7123873040
C   -3.0462626297  -1.9090470735  -1.8809310259
C   -4.5176904227   1.8826160080   0.6545411394
C    0.6016668350   2.3153097626   0.0625778060
C    1.7954761643   2.0380665651   2.1246509320
C    0.9572990535   2.7924566591   1.3187122352
H   -0.3379540249  -1.6256840586  -1.4597925558
H   -2.1243211923   0.9482843706   1.7403172162
H    4.4046669602  -0.6484303570   0.4336880010
H    1.1284135524  -4.0069164853  -1.0943630590
H    0.8097156538   0.7530772781  -1.3706494805
H    2.8682770952   0.2123996354   2.3503908933
H   -3.9922886814  -1.8785894639  -2.4212652865
H    3.5374253238  -4.5851199543  -0.9952509690
H   -5.4088614443   1.8498928761   0.0360508634
H   -4.8067650584   1.8157140296   1.7007791945
H   -4.0014807662   2.8257822271   0.4839203538
H    2.0754154434   2.4053991041   3.1024676205
*