! 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  -4.5805839312   1.8991706842   0.9594016992
F   -2.4702460442  -2.1031494773  -1.4978708585
F   -0.4166777310  -1.5471937719  -1.7769434857
F   -0.9728871533  -2.8138301890  -0.1325174356
O    0.7764026981   1.2652104893  -1.2311996591
N    2.8384685847  -1.3093299771   0.3638099255
N    0.7124185962  -0.6975948009   0.8485286170
N    4.1176562832  -2.8000834277   1.3639679808
C    1.7120266370  -0.5170844052   0.1078016092
C    1.8733468929   0.4333635338  -1.0605468559
C    0.9174025956   2.5632297107  -0.6737692665
C   -0.5105890504  -0.0511682708   0.7926925896
C    1.6824858487   3.5097433208  -1.5825309596
C   -1.5713958647  -0.5458087623   0.0222230802
C   -0.7558946433   1.0190541077   1.6514668090
C   -2.8192833448   0.0603496437   0.0727259701
C    4.0276187830  -1.3447519052  -0.3384826929
C    1.8102031996   4.8905518325  -0.9570783269
C    2.9610551832  -2.2163348716   1.3810498833
C   -1.3609348656  -1.7474775855  -0.8441204205
C   -1.9965296644   1.6250135788   1.7024603701
C   -3.0219250117   1.1467516714   0.9036911149
C    4.7934298690  -2.2664339467   0.2942960496
H    2.0130874392  -0.1650373355  -1.9671367025
H    2.8046581067   0.9945773139  -0.9175747337
H    1.3981678758   2.5160370263   0.3117658745
H   -0.0962294199   2.9371337080  -0.5148856784
H    2.6807210361   3.1116001241  -1.7893492121
H    1.1667951710   3.5796426783  -2.5436972864
H    0.0420368119   1.3791374910   2.2871302321
H   -3.6377245008  -0.3089094974  -0.5291408569
H    4.2264465090  -0.7401747016  -1.2060993380
H    2.3586762210   4.8541281837  -0.0138243495
H    2.3437302858   5.5734475864  -1.6184687050
H    0.8323584690   5.3308514112  -0.7526123350
H    2.1681240742  -2.3883963896   2.0900716445
H   -2.1582543994   2.4625616652   2.3674843982
H    5.7942369452  -2.5771854395   0.0393067102
*