! 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  -4.6911124495   1.9071268941  -0.2032426923
F   -0.4815285841  -2.0337445133   1.5272627836
F   -2.5535397079  -2.5440882729   1.2818137704
F   -1.1455810838  -3.0127782594  -0.2688585711
O    2.5580269773   1.3971649127   0.6037148235
N    2.7108849770  -1.1977740646  -0.5981382050
N    0.5099278395  -0.7743257582  -0.9525952772
N    4.7821015429  -1.9473760722  -0.4994721893
C    1.5325178403  -0.5371499066  -0.2520260803
C    1.6185090421   0.4037898284   0.9229514437
C    2.3674033908   2.6191346243   1.3000576682
C   -0.7056167625  -0.1353374724  -0.7330068599
C    1.3450644904   3.5190192100   0.6272587537
C   -1.7272387051  -0.7483245947   0.0018259687
C   -0.9514251139   1.1050147111  -1.3158382466
C   -2.9532985229  -0.1176892843   0.1617160663
C    2.8888085416  -2.0050888807  -1.7033169708
C    1.1865432122   4.8364144024   1.3709694790
C    3.8976054212  -1.2043967404   0.0862005211
C   -1.4818446614  -2.0848402192   0.6321097384
C   -2.1715956591   1.7369131837  -1.1580904589
C   -3.1657462699   1.1213231753  -0.4162862112
C    4.1667712624  -2.4461747244  -1.6229631840
H    1.9052630837  -0.1487852164   1.8275156306
H    0.6242580531   0.8174725127   1.1116389220
H    3.3431209965   3.1119105812   1.3151677840
H    2.0899916792   2.4309458682   2.3457487001
H    1.6597215845   3.7076841341  -0.4030888172
H    0.3737290779   3.0183792196   0.5726693334
H   -0.1771289790   1.5780504846  -1.9048129267
H   -3.7434805015  -0.5799084093   0.7363592819
H    2.1071899535  -2.1797914644  -2.4209222221
H    2.1331761448   5.3762979685   1.4372325233
H    0.4737615315   5.4882071484   0.8645206080
H    0.8226891139   4.6827534414   2.3891013216
H    4.0495684730  -0.6550011302   1.0005309301
H   -2.3372855340   2.7043682002  -1.6122212844
H    4.6817763683  -3.0999936843  -2.3090742807
*