! 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  -2.1688769106   0.0181105543  -2.7993596819
Cl  -3.6440646271   3.5549965388   0.9173869820
F    3.6252996808  -1.1047649832   0.1581611918
F    4.2845641006   0.4511240513  -1.1837298647
F    5.1841828012   0.7394427071   1.3637802649
F    3.1334555987   0.7598588869   2.1179039987
O    2.1904559796   0.5105390856  -0.4132621529
N   -0.8731751912  -2.3270811843   0.6212484724
N   -1.6468250484  -3.0147771754  -0.2182558680
N   -2.6590772204  -2.7797888379   1.7638645888
C    0.1807791260  -0.7416424367  -0.9169546181
C    0.3898618713  -1.7814713896   0.1868348480
C    1.5035624671  -0.2120525335  -1.4473804584
C   -0.7639833348   0.3552658655  -0.4876999828
C   -1.8586153299   0.7463737531  -1.2567291591
C   -0.5848550347   1.0186380136   0.7260433482
C    3.4586840673   0.2110227460  -0.1344931966
C   -2.7462835840   1.7282104694  -0.8410407673
C   -1.4496974674   2.0038294504   1.1677957685
C   -1.4883385597  -2.1894969836   1.7969247641
C   -2.5329062571   2.3464568535   0.3769476277
C    3.9105876256   1.0617583264   1.0517140967
C   -2.7037310513  -3.2689323006   0.5101107793
H   -0.2573751752  -1.2752326029  -1.7623650185
H    1.0118887509  -2.5952026609  -0.1864687753
H    0.8835108856  -1.3704783116   1.0655562907
H    2.1016802930  -1.0411367612  -1.8298522883
H    1.3292475907   0.4776238124  -2.2736366725
H    0.2542337383   0.7676481438   1.3604602435
H   -3.5914364938   1.9979584325  -1.4586117542
H   -1.2784795305   2.4897032178   2.1180004214
H   -1.0517660758  -1.6643802894   2.6320399108
H    3.8431086078   2.1292939831   0.8408957792
H   -3.5407443236  -3.8288794856   0.1226042177
*