! 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  -1.7079859004  -0.1828663158  -2.7431633338
Cl  -4.8181750954   3.1182210652   0.0743465100
F    4.2521137444   1.4343502147  -0.0706499610
F    3.4095170522   0.2234701499   1.5046308424
F    4.2078741056  -2.0636237845   0.2031152187
F    5.8178664136  -0.6642901234   0.6752555353
O    2.6265059292  -0.0099298506  -0.5752273533
N   -0.8004851633  -1.9462548302   0.9676163720
N   -1.0421826638  -2.8600806243   0.0280910040
N   -2.6741184842  -2.8616252051   1.5600022471
C    0.2472888686  -0.1349025340  -0.3110880163
C    0.3545615496  -1.0861249352   0.8852386754
C    1.4506548757   0.7961098113  -0.3991066119
C   -1.0191646139   0.6829260350  -0.2532091468
C   -1.9592324624   0.7108262069  -1.2808270229
C   -1.2963707165   1.4553304952   0.8737923540
C    3.7018598278   0.2194911203   0.1792073910
C   -3.1279569217   1.4539967058  -1.1918479806
C   -2.4500213441   2.2088220732   0.9927734654
C   -1.7819834669  -1.9518003533   1.8710594036
C   -3.3626830294   2.1955124514  -0.0485409026
C    4.7407552215  -0.8622689189  -0.1149698399
C   -2.1728903576  -3.3856676607   0.4253286698
H    0.2392140052  -0.7502067524  -1.2121075065
H    1.2398178660  -1.7137611655   0.7944771259
H    0.4304774805  -0.5474585675   1.8294831906
H    1.3580513595   1.4481984889  -1.2683905166
H    1.5248439754   1.4317486472   0.4859305787
H   -0.5936048875   1.4749491884   1.6978215384
H   -3.8418664029   1.4497743245  -2.0036706379
H   -2.6301914524   2.7922178693   1.8847729618
H   -1.7997805515  -1.2933290873   2.7256989400
H    5.0486821738  -0.8642324452  -1.1611411691
H   -2.6537553939  -4.1811300784  -0.1227573326
*