! 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  -3.1686425282  -2.1800771583   1.2957935081
Cl  -5.0086013264  -0.6851310356  -0.3674789315
F    3.6745621518  -3.0371335172  -0.6875937294
F    1.7732754795  -2.7128531644   0.3459457251
O    2.3609058202  -0.5195229384   2.6638272301
N    0.9553238033   1.1478356723   2.1117781007
N    3.2960345442   0.8135990146  -1.4844622282
N    3.5249967774  -0.4918752582  -1.3844975430
C   -0.8959649823  -0.2603366613  -0.0229549109
C   -2.3370484124   0.9212680719  -1.3341359626
C   -0.3662493888  -0.4998762438  -1.4637804305
C   -1.3455599960   0.3054212174  -2.3542757440
C   -2.3756925607  -0.2016642721  -0.3239173747
C   -0.6880992072   1.2001066985   0.3005577171
C   -1.5616208739   1.9260154922  -0.5156337263
C    0.1307335744   1.8523872044   1.2050925994
C   -1.6174948005   3.3027203914  -0.4637368449
C   -3.3771673190  -0.9234384731   0.1347769135
C    0.0658431462   3.2463166746   1.2725102620
C   -0.7913195448   3.9587788890   0.4485390854
C    1.9237661210   0.2492431419   1.8187173689
C    2.4760040155   0.2567100335   0.4579501831
C    3.0432379588  -0.8437469635  -0.2134618351
C    2.6678428925   1.3102117466  -0.4130002686
C    3.0596545248  -2.2624957081   0.2385728048
C    3.7531374183   1.5509237939  -2.6412200094
H   -0.5560693579  -0.9793482003   0.7173692590
H   -3.2786868599   1.2683951682  -1.7509940470
H   -0.4029209204  -1.5638936681  -1.6969456144
H    0.6655775957  -0.1765536327  -1.5752863195
H   -0.8509865558   1.0767832124  -2.9445724715
H   -1.8784883353  -0.3472893476  -3.0461693666
H   -2.2977684265   3.8631505379  -1.0924274092
H    0.6911678676   3.7697868592   1.9850148785
H   -0.8251073052   5.0377510985   0.5253374018
H    0.6972823612   1.1984796632   3.0890830734
H    2.4246465912   2.3576344417  -0.3350960576
H    3.5499099864  -2.4122021774   1.1988374748
H    4.6121434842   2.1696231636  -2.3884591323
H    2.9545513171   2.1835135137  -3.0208272625
H    4.0382015734   0.8410920253  -3.4111063413
*