! 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
F    5.7273206614  -0.0187399422  -1.3917611121
F    4.7285702590  -1.3888986942  -0.0128408039
F   -4.0937917234   1.7854813656   2.8082983178
F   -2.4423232501   2.5691364673  -1.4813664165
F   -3.6690291636   3.4626344351   0.7434882257
O    1.9263602785  -2.1615069432  -1.1212849255
N    0.2837488005  -1.1947666072   0.1281198154
N    2.5803373970   2.2517856687  -0.7029226398
N    3.7362354262   1.6479258870  -0.9514239647
C   -2.0045867882  -1.8700905185   0.4266968942
C   -0.6626267395  -2.2248300106   0.2105691196
C    2.1220510983   0.1204593446  -0.6161732766
C   -2.4305173038  -0.4536729936   0.5069425234
C    3.4789238231   0.3601988572  -0.9144304078
C    1.4529057292  -1.1858997288  -0.5639659681
C    1.5851197101   1.3866729924  -0.4889328929
C   -2.9556835197  -2.8736587747   0.5815691900
C   -0.3115597910  -3.5716443369   0.1371182853
C   -2.2154800444   0.4153868124  -0.5632227898
C   -3.0721637534   0.0094938310   1.6524178832
C   -2.6066212172  -4.2115229214   0.4956658561
C    4.5525362123  -0.6483216701  -1.1437663376
C   -1.2824994901  -4.5521176717   0.2690260283
C    2.5094215740   3.6935933205  -0.6334035728
C   -3.4855963515   1.3237944882   1.7165564348
C   -2.6376542616   1.7240336054  -0.4690210726
C   -3.2725753471   2.1952729045   0.6657324226
H    0.0346565350  -0.3394857268   0.6004716975
H    0.5813153116   1.7267217057  -0.2868763738
H   -3.9890152815  -2.5963787769   0.7488288402
H    0.7173869544  -3.8621744575  -0.0019531422
H   -1.7437813994   0.0758782732  -1.4766222468
H   -3.2401145299  -0.6421675678   2.4999577550
H    4.3422866546  -1.3283973437  -1.9674778784
H   -3.3624352079  -4.9777087718   0.6041510632
H   -0.9909895855  -5.5923595030   0.2059247987
H    3.3296000539   4.1114595064  -1.2088068352
H    1.5692808403   4.0361843055  -1.0574967245
H    2.5836134196   4.0335369611   0.3980445330
*