! 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  -0.9808932484   0.8593055585  -2.7785606236
Cl  -3.5262399337   3.3152256134   1.2274986470
F    4.1515192630  -1.2021172600   0.5708261380
F    3.3234683489  -0.3148703244  -1.2118765560
F    3.1835296902   2.1274897985   0.0478736325
F    5.1767274198   1.2320147588   0.0086598820
O    2.1106739245  -0.3049290187   0.6673775131
N   -1.5839802187  -2.6538252106  -0.0929474741
N   -1.2037535833  -3.2365768393   1.0457935093
N   -3.4214469812  -2.9349472375   1.0253571375
C    0.2156899294  -1.0266009213  -0.6647658702
C   -0.6289193116  -2.2380754676  -1.0897461340
C    1.2971991309  -1.4363920013   0.3272661899
C   -0.6737986031   0.0938250676  -0.1854317447
C   -1.2851549090   0.9771338430  -1.0740428996
C   -0.9888909250   0.2500861029   1.1626011172
C    3.3315883485  -0.2081152331   0.1404621487
C   -2.1583834591   1.9704515580  -0.6578015109
C   -1.8579559824   1.2290346649   1.6122919000
C   -2.9053564255  -2.4731476568  -0.0893033832
C   -2.4371199682   2.0853190863   0.6922022868
C    3.9423147253   1.1298365774   0.5518223768
C   -2.3383602971  -3.3865397617   1.6835010115
H    0.7261911914  -0.7110437266  -1.5769990419
H   -1.1908285080  -1.9942354363  -1.9899854058
H    0.0151882091  -3.0828430631  -1.3362392378
H    0.8921404733  -1.8129538000   1.2641919494
H    1.8885173249  -2.2467388484  -0.1042078050
H   -0.5533175974  -0.4089691020   1.9012094636
H   -2.6123377586   2.6382738242  -1.3767208071
H   -2.0756581834   1.3151844322   2.6677179941
H   -3.4388374286  -2.0202849162  -0.9106332657
H    4.0110980403   1.2341240560   1.6351517643
H   -2.3836238854  -3.8449322363   2.6593698198
*