! 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  -7.4921293885  -1.2610546592  -1.5527505885
F    2.3853101715  -3.0908474221  -0.3349512204
F    3.3820647670  -1.3763285161  -1.1026728437
F    3.3779456950  -1.7842588522   1.0254880007
O    3.6086943930   0.8350705429   0.3632497089
O   -2.0944231010  -2.0875325459   0.5607721615
N    3.2447796837   3.4967755883   0.8940712191
N    4.1264564511   3.2722141608   1.8708033337
N    4.7733116512   5.0118881790   0.6222405963
C    2.3977158660   1.3739133869  -0.0892102782
C    1.2295243516   0.3873930867   0.0494286056
C    2.0858678003   2.6561282794   0.7317830121
C    2.5832544050   1.7357646585  -1.5604065478
C    1.3388910987  -1.0165136420   0.0689045090
C   -0.0591637419   0.9148266746   0.1314557797
C    0.1984708153  -1.8004230674   0.2224528499
C   -1.1957534633   0.1413652494   0.2809855917
C   -1.0572725277  -1.2326372290   0.3411971400
C    2.6293995615  -1.7933239339  -0.0831504092
C    3.6435909664   4.5361865818   0.1572179767
C    5.0234842448   4.2023509898   1.6693053076
C   -3.3324909041  -1.8325140077   0.0423986850
C   -3.5150580047  -1.3556433415  -1.2492836496
C   -4.4249264652  -2.1372994533   0.8406416081
C   -4.7993158938  -1.1744689901  -1.7372918792
C   -5.7091034081  -1.9691605064   0.3480990929
C   -5.8880554287  -1.4824625974  -0.9367493975
H    1.3159650626   3.2589036416   0.2558222554
H    1.7302174854   2.3981519915   1.7301259712
H    3.4218116945   2.4218313682  -1.6946741443
H    2.7815079310   0.8535583817  -2.1663670204
H    1.6875325011   2.2141717988  -1.9566417492
H   -0.2102786495   1.9835505889   0.0873216504
H    0.2618875203  -2.8784169811   0.2556366900
H    3.6202097607   0.8136896032   1.3268179772
H   -2.1614982866   0.6230998780   0.3594493153
H    3.0840227412   4.9095581053  -0.6863829763
H    5.8899785452   4.3036230490   2.3041958159
H   -2.6711987486  -1.1298979464  -1.8886286839
H   -4.2756602183  -2.5142326912   1.8441913039
H   -4.9404467732  -0.8026821831  -2.7429113533
H   -6.5586819477  -2.2123132115   0.9715305171
*