! 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   1.9425861149   3.1611816547   3.0740287502
Cl   0.5703298713   4.8140693417   0.7716585314
F    5.0179221553  -2.9915324948   0.1698023533
F   -2.6628766962  -3.5272656184  -1.4826631899
F   -2.1156951452  -2.1540715589  -3.0823512211
O   -0.6756560257  -0.8910814743   1.3272172936
N   -0.1944412012  -1.5173623645  -0.7882799950
N   -4.3524966398   0.2474829280  -0.2713369436
N   -4.4383586626  -0.6775855924  -1.2146635585
C    2.0719773776  -0.9183602957  -0.0838678966
C    1.1500861283  -1.8671849916  -0.5388611120
C   -2.4029287787  -0.7396039445  -0.2563464594
C    1.6957794205   0.4956089279   0.1203338948
C   -3.2697089324  -1.2849885609  -1.2294010647
C   -1.0288945986  -1.0590903810   0.1729120157
C   -3.1627913609   0.2436148230   0.3400997115
C    3.3805258882  -1.3202773970   0.1693237436
C    1.5504154114  -3.1779575154  -0.7607320156
C    1.9518975314   1.1087516053   1.3406816948
C    1.0967067079   1.2373549793  -0.8942669760
C    3.7486704368  -2.6294627265  -0.0636182004
C    2.8592989236  -3.5719297565  -0.5372242571
C   -3.0910713531  -2.4268955398  -2.1573908955
C   -5.4628735520   1.1347302981  -0.0041148225
C    1.6135557764   2.4359093740   1.5467047179
C    0.7531713876   2.5612961749  -0.6893667920
C    1.0064542631   3.1661907954   0.5321500584
H   -0.5283822483  -1.6088395920  -1.7343397016
H   -2.9233317058   0.9327988620   1.1340903754
H    4.1167217812  -0.6062571349   0.5166235383
H    0.8237023765  -3.9031997418  -1.1036704944
H    2.4036896961   0.5464801976   2.1473398468
H    0.9074961917   0.7925691994  -1.8616454129
H   -4.0089641180  -2.6663903685  -2.6940127242
H    3.1723574742  -4.5918866085  -0.7156020652
H   -5.2015783326   2.1596222449  -0.2596431632
H   -6.3070672270   0.8208160996  -0.6095346118
H   -5.7394142337   1.0854465952   1.0465242160
H    0.2920493660   3.1300415565  -1.4852626910
*