! 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  -5.2912535730   1.2574537679  -0.5202793921
F   -0.9042249606  -2.7729001138   0.5040461021
F   -0.2016327642  -1.1273731810   1.6989786209
F   -2.1587510568  -1.9466912126   2.0375174851
O    2.2289921602   1.2482074669   0.8396311683
N    2.4948306455  -0.7189984172  -1.1206088637
N    0.2292216141  -0.7133948575  -1.1508351137
N    4.6416521910  -1.0343760281  -1.5111695664
C    1.2807548945  -0.0798601831  -0.8611614857
C    1.3620381165   1.2968286247  -0.2542225432
C    2.4366997928   2.5146533401   1.4350784030
C   -1.0448248190  -0.1961413219  -0.9559686708
C    3.4946692827   2.3908783117   2.5099970710
C   -1.8502238677  -0.6559181690   0.0927769805
C   -1.5795986886   0.7177074524  -1.8604443195
C   -3.1549133332  -0.2032690080   0.2266710775
C    2.6421802312  -2.0516410249  -1.4495815494
C    3.7308370473   3.7209875267   3.2086721190
C    3.7447440993  -0.1619504862  -1.1763818756
C   -1.2822396017  -1.6275195011   1.0816192093
C   -2.8803148598   1.1704248563  -1.7309129999
C   -3.6613121858   0.7043276564  -0.6871814144
C    3.9667083866  -2.2211429439  -1.6752359178
H    0.3557279072   1.6200024366   0.0370931398
H    1.7041580738   2.0059382686  -1.0237519737
H    1.4973309943   2.8905475476   1.8642930415
H    2.7552177798   3.2434521385   0.6758692953
H    3.1870865801   1.6385377211   3.2410670403
H    4.4264164133   2.0365755128   2.0611870781
H   -0.9728842056   1.0678973429  -2.6852101606
H   -3.7810139270  -0.5483569051   1.0373094993
H    1.8095983487  -2.7322516243  -1.4772029613
H    4.5115696962   3.6328098496   3.9644911706
H    4.0441029985   4.4949144870   2.5051590207
H    2.8292016390   4.0767154959   3.7104953456
H    3.9318373055   0.8803962450  -0.9805691112
H   -3.2750141742   1.8813648377  -2.4439531679
H    4.4772969055  -3.1319453982  -1.9456229394
*