! 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  -2.1532464068   0.4527704146  -2.7160615083
Cl  -1.8539904913   5.1086548451  -0.1132162662
F    3.3560933684  -1.2316234723  -0.9639910307
F    2.6316364671   0.7889263872  -1.1922082041
F    3.6646658652  -0.8090100662   1.7528763889
F    2.9487193745   1.2393273562   1.4944368952
O    1.5040240574  -0.6214251250   0.1191475046
N   -0.8944623457  -2.9302068442   1.0372785202
N   -1.7505924985  -3.6851634016   0.3488487573
N   -0.1266138730  -4.9486038065   1.2296671875
C   -0.8360793829  -0.8397498824  -0.2515195990
C   -1.0545837428  -1.4982673609   1.1141844919
C    0.5466020202  -1.1183703713  -0.8225130133
C   -1.1071517017   0.6439320432  -0.2104500132
C   -1.6966055361   1.3143736351  -1.2817437686
C   -0.7343383600   1.4223398386   0.8832345919
C    2.7043826023  -0.2378845105  -0.3075306902
C   -1.9345193204   2.6799351309  -1.2662914789
C   -0.9561306165   2.7879042249   0.9303594034
C    0.0717550671  -3.6930572259   1.5519524088
C   -1.5605430021   3.4059362840  -0.1496791073
C    3.5655712623   0.2109650176   0.8715959948
C   -1.2510162238  -4.8860984030   0.4919468776
H   -1.5417054316  -1.3098224395  -0.9400192631
H   -0.3565964010  -1.1439312764   1.8696001144
H   -2.0605861743  -1.2798782535   1.4712480354
H    0.7012458509  -2.1896480581  -0.9703928975
H    0.6468573988  -0.6357635007  -1.7968832008
H   -0.2620398007   0.9634618825   1.7398850822
H   -2.4017476558   3.1642648641  -2.1123157674
H   -0.6540782834   3.3559980795   1.7989952446
H    0.8786359230  -3.2970202351   2.1488206416
H    4.5635705349   0.5195940096   0.5565565081
H   -1.7197781544  -5.7525728361   0.0520632901
*