! 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  -5.1013655631   1.4541929868   0.5435709545
F   -0.3185968934  -1.2485454960  -1.9450154447
F   -1.0327408095  -2.8573541731  -0.7089838242
F   -2.3345993324  -1.9579335197  -2.1598934678
O    2.2671624583   1.7828897008   0.3883000743
N    2.5487986527  -1.0476074153   0.7406001825
N    0.2897839350  -0.9050615634   0.9232911368
N    3.9017353327  -2.6034331955   1.5230599235
C    1.3505322078  -0.3809593042   0.4854915037
C    1.4547969334   0.8876231781  -0.3196173492
C    2.3766874289   3.0616882641  -0.2120112107
C   -0.9574837520  -0.3094013090   0.7824737360
C    3.1237944010   3.0738576385  -1.5356614213
C   -1.8367992666  -0.6951781951  -0.2361868682
C   -1.3865716807   0.6258152980   1.7208728289
C   -3.1103137405  -0.1476494132  -0.3095321936
C    3.8113777164  -0.7493808152   0.2640188922
C    3.2978161553   4.4957329278  -2.0486743148
C    2.6771593830  -2.1847642702   1.4946603717
C   -1.3863265326  -1.6919739824  -1.2591727113
C   -2.6552962957   1.1715534457   1.6521753313
C   -3.5103291035   0.7798632373   0.6356438752
C    4.6200581554  -1.7180943917   0.7549532344
H    0.4528000514   1.2992524885  -0.4845287475
H    1.8601595823   0.6368497260  -1.3081234440
H    2.9085274316   3.6765153582   0.5173619400
H    1.3790872376   3.5042366419  -0.3415610347
H    4.1030847699   2.6043855132  -1.4055366847
H    2.5874595630   2.4893969764  -2.2881245768
H   -0.7195364286   0.9182623275   2.5209281085
H   -3.7927762633  -0.4350067255  -1.0969037154
H    4.0278121547   0.0974169650  -0.3615670455
H    2.3351411066   4.9882129799  -2.1986674542
H    3.8768656360   5.1055538355  -1.3529176139
H    3.8202139381   4.5039030910  -3.0054001811
H    1.8339667455  -2.6398582431   1.9875850723
H   -2.9699210527   1.8962403707   2.3908854609
H    5.6820319578  -1.8274402490   0.6019147638
*