! 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  -1.4451394387   0.6872414585  -2.9202680949
Cl  -4.9086127482   2.7924952059   0.5647537870
F    3.8882174192   1.4041038263   0.4383593273
F    3.7668123753  -0.1308540111   1.9508808880
F    4.8614540048  -0.4166056103  -1.3704186131
F    4.7403183100  -1.9838621084   0.1466049404
O    2.5619328921  -0.3568223216   0.0839375878
N   -0.9156604378  -2.1571512485   0.1478961897
N   -0.6364738757  -2.3508249243   1.4365740453
N   -2.7629762664  -2.8992061505   1.0083408067
C    0.2909403388  -0.0810668498  -0.5040280582
C    0.0424053671  -1.5793757308  -0.7612218183
C    1.3243518483   0.1688561321   0.5873204254
C   -1.0029744703   0.6455934172  -0.2368961379
C   -1.8568563810   1.0295105471  -1.2702319395
C   -1.4228516569   0.9360925535   1.0596211633
C    3.7080327791   0.0688649610   0.6095793693
C   -3.0560820280   1.6852761998  -1.0413922519
C   -2.6134018972   1.5921076992   1.3232414877
C   -2.1871847488  -2.4780452413  -0.0920099808
C   -3.4212558435   1.9649419859   0.2638970140
C    4.8863993525  -0.6537514868  -0.0402501672
C   -1.7717150378  -2.7982503534   1.9119741755
H    0.7248315931   0.3168350433  -1.4252075079
H   -0.3470392381  -1.7243858759  -1.7672050847
H    0.9720370530  -2.1435946138  -0.6995029796
H    1.4053847610   1.2412445816   0.7768714570
H    1.0765301673  -0.3366496062   1.5218130918
H   -0.8122360833   0.6498024848   1.9049287253
H   -3.6895101261   1.9737050375  -1.8685245554
H   -2.8991404157   1.8056230977   2.3437839635
H   -2.6365218337  -2.4026976387  -1.0694288115
H    5.8436330296  -0.3298524121   0.3706328334
H   -1.8881219160  -3.0665959617   2.9500525039
*