! 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  -5.3339606416   1.2295744565  -0.4450330437
F   -2.0867807127  -1.7900391807   2.1818081241
F   -0.8201419177  -2.6265796636   0.6648589435
F   -0.1544894298  -0.9311346129   1.8097479412
O    2.3807345672   1.9797304979   0.1614539891
N    2.4950731390  -0.4786545761  -1.2577693698
N    0.2422936046  -0.5848044483  -1.0570422715
N    4.5946102755  -0.7820656131  -1.8601698560
C    1.2726930400   0.1429346976  -0.9962005218
C    1.3085749475   1.6209038905  -0.6531514324
C    2.3086384912   1.4772065139   1.4845527978
C   -1.0440225991  -0.0999230651  -0.8731119216
C    3.5246151539   1.9510769292   2.2508868380
C   -1.8258992767  -0.5485540298   0.1992471852
C   -1.6239752817   0.7519571573  -1.8110503964
C   -3.1417744228  -0.1301774355   0.3333451665
C    2.6875453445  -1.8439941516  -1.3439750023
C    3.5124373455   1.4429468551   3.6843481785
C    3.6920073982   0.1051229656  -1.5853128562
C   -1.2248378739  -1.4750493312   1.2113587194
C   -2.9380613882   1.1639381918  -1.6863316575
C   -3.6889355174   0.7211940395  -0.6111229919
C    3.9828285730  -2.0030412157  -1.7036954375
H    0.3477275738   1.8894942174  -0.1978085958
H    1.3938487004   2.1983045611  -1.5779748872
H    2.2815423860   0.3794788199   1.4861742982
H    1.3874488909   1.8267343218   1.9701219247
H    4.4278795943   1.6023110256   1.7432005569
H    3.5563789929   3.0437176599   2.2446165856
H   -1.0425910304   1.0811685083  -2.6624532720
H   -3.7470880886  -0.4621040900   1.1649484598
H    1.9026516744  -2.5481233958  -1.1317735342
H    3.4921610212   0.3521922611   3.7240911244
H    4.4021776462   1.7714943352   4.2216816969
H    2.6441435177   1.8101854879   4.2344069499
H    3.8372503547   1.1711836996  -1.6191131510
H   -3.3670136340   1.8243095421  -2.4274945987
H    4.5146838435  -2.9281157561  -1.8610518542
*