! 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  -4.7455376350   1.8236856116  -0.3616156826
F   -1.0342452011  -2.9732625747  -0.1421952108
F   -0.4097375368  -1.8664815215   1.5932150292
F   -2.4618486548  -2.4645029423   1.3779178133
O    2.4070725782   1.6576908314   0.4253911228
N    2.7548181277  -1.0589476363  -0.5921308953
N    0.5381331304  -0.7267246017  -0.9588650130
N    4.1246664233  -2.4754955813  -1.5812647703
C    1.5575676257  -0.4127665646  -0.2848214881
C    1.6062525170   0.5872470217   0.8421821887
C    2.6780089865   2.5999226415   1.4496996937
C   -0.6940409585  -0.1123531408  -0.7682124911
C    1.4717199021   3.4209265171   1.8736270208
C   -1.6974665484  -0.7180082447  -0.0035912275
C   -0.9726119239   1.0917136219  -1.4097438103
C   -2.9430992315  -0.1187879359   0.1214904031
C    3.9977283969  -0.8717649388  -0.0181283268
C    0.7951997837   4.1475576340   0.7218161335
C    2.9046645521  -2.0451660388  -1.5312549129
C   -1.4062214069  -2.0065768685   0.7019417499
C   -2.2130368731   1.6912256691  -1.2881899268
C   -3.1911768214   1.0811551683  -0.5209901509
C    4.8179241522  -1.7512905188  -0.6410618675
H    2.0065342308   0.1005201347   1.7429935220
H    0.5856894257   0.8999722947   1.0815025068
H    3.4479115764   3.2577032805   1.0410500637
H    3.1111619056   2.0936500846   2.3228442698
H    0.7453884852   2.7980809341   2.4039151408
H    1.8296191210   4.1452088188   2.6105254518
H   -0.2100782083   1.5562979702  -2.0206152762
H   -3.7202417070  -0.5756099041   0.7178103843
H    4.1955544271  -0.1502008534   0.7538778714
H   -0.0144487293   4.7825383562   1.0829304103
H    1.4995592890   4.7867238201   0.1854251985
H    0.3625238857   3.4558608329  -0.0023991868
H    2.0780484593  -2.3939324267  -2.1281295399
H   -2.4084047610   2.6288693630  -1.7905367922
H    5.8717502443  -1.9026986823  -0.4687623990
*