! 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  -3.2750714113  -2.4922565248   2.1010013604
F    3.2440198755   0.0863575918  -2.1877955429
F    5.2876327627   0.5655075279  -1.7468547926
F    4.3724529553  -1.1442230925  -0.8279351520
F   -4.2933456534   2.5779856362  -0.2553343150
F   -4.2044397119   1.8659686819  -2.2818501163
F   -5.6888596344   1.0899606116  -0.9291429942
O    2.5727680897  -1.6992402227   1.8146692444
N    1.4082044078  -1.1614514053  -0.0504095749
N   -1.3348823284  -0.6198586225  -0.7737946332
C   -0.5958789612  -2.4648297448   0.6257131302
C    0.6941003110  -2.4109899243  -0.1789768068
C   -1.6277008764  -1.4593515866   0.2098925588
C    2.8416395989   0.4868769762   0.9267629924
C    2.2757662739  -0.9064661654   0.9340869256
C    3.7071155168   0.9795565887  -0.0526120608
C   -2.8788417361  -1.3941966560   0.8316984566
C   -3.4674204314   0.4112589325  -0.5915527060
C   -3.8085667078  -0.4561189059   0.4364429876
C    2.4879750261   1.3049000453   1.9935205856
C    4.1726510845   2.2871656096   0.0297102494
C   -2.2147280851   0.2877459695  -1.1679852091
C    4.1522285098   0.1217503542  -1.2006919617
C    2.9485204100   2.6094420556   2.0680471487
C    3.7870433817   3.1024803108   1.0813298820
C   -4.4153093515   1.4844381107  -1.0199690959
H   -1.0177332864  -3.4699153231   0.5327286836
H   -0.3745208908  -2.3395733599   1.6896482096
H    1.3423646025  -3.2228034967   0.1475170414
H    0.4920071675  -2.5742995634  -1.2367929145
H    1.0980128918  -0.4059376130  -0.6404244773
H   -4.7744332230  -0.4106550973   0.9221751335
H    1.8332837188   0.9221793137   2.7660345548
H    4.8439387745   2.6828465853  -0.7198238996
H   -1.8970866095   0.9360257529  -1.9754175162
H    2.6546298348   3.2372669442   2.8985198402
H    4.1520118070   4.1193210543   1.1310051880
*