! 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  -1.2543575305   0.0956816518  -2.9564377118
Cl  -2.3302623757   3.7180583690   0.8223892330
F    3.8579761432   0.1854190548  -1.1984086740
F    2.0765586231   1.2959425721  -0.7021364883
F    2.5814709929   0.8649059575   2.0026421898
F    4.1442640654   1.9106372849   0.8909269884
O    2.2284333386  -0.8454055956  -0.0762618293
N   -1.4312692521  -2.9218514520   0.7313179306
N   -2.3873154528  -3.1690156665  -0.1630212494
N   -3.2426638798  -3.1273266299   1.9049394727
C    0.0322763234  -1.6085085449  -0.7432726444
C   -0.0643920320  -2.6999429779   0.3217526082
C    1.4801269318  -1.3978670588  -1.1686081879
C   -0.6036677249  -0.3013683251  -0.3446721184
C   -1.1891508520   0.5470163277  -1.2820925419
C   -0.5653119243   0.1542036926   0.9702313910
C    2.8826810377   0.3034158341  -0.2574367250
C   -1.7247895905   1.7789564630  -0.9416093452
C   -1.0919091170   1.3776915203   1.3464282030
C   -1.9522056672  -2.8972410564   1.9588140193
C   -1.6693357043   2.1821276795   0.3805257840
C    3.5389605596   0.7142158001   1.0604707356
C   -3.4551736761  -3.2856781682   0.5851656438
H   -0.4730875412  -1.9968467704  -1.6301904077
H    0.3373439852  -3.6275710329  -0.0887730151
H    0.5118472865  -2.4735665384   1.2175995961
H    1.9419672398  -2.3501608305  -1.4351328636
H    1.5161993191  -0.7602798322  -2.0529818989
H   -0.1103500894  -0.4526450997   1.7405577534
H   -2.1737274812   2.4098655394  -1.6960249112
H   -1.0442696632   1.6945291529   2.3788946454
H   -1.3628318575  -2.7149475181   2.8439709307
H    4.2712043857  -0.0200012007   1.3988739248
H   -4.4262383002  -3.4904592769   0.1613876442
*