! 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  -5.1479041432   1.3596530720   0.5744282045
F   -0.3086705570  -1.2097681356  -1.9477419503
F   -0.9483912560  -2.8225877257  -0.6769276808
F   -2.3015834877  -1.9917732948  -2.1216329245
O    2.2148529648   1.9225834196   0.3163738838
N    2.5794510743  -0.9167359453   0.6977062286
N    0.3238716442  -0.8103601622   0.9126352564
N    3.9608908827  -2.4674180183   1.4394489997
C    1.3668442660  -0.2724494480   0.4501173132
C    1.4312462659   0.9882419807  -0.3740622537
C    2.0811546086   3.2488124113  -0.1670334057
C   -0.9418846494  -0.2547998417   0.7774314091
C    2.5601470623   3.4576902481  -1.5932925849
C   -1.8204991297  -0.6826897397  -0.2249824262
C   -1.3907657257   0.6768840465   1.7100506699
C   -3.1128635014  -0.1801952436  -0.2877627180
C    3.8410101096  -0.5653058136   0.2582560359
C    4.0043096070   3.0443942288  -1.8286033604
C    2.7259181067  -2.0805602132   1.4063538114
C   -1.3502356941  -1.6789638252  -1.2395604365
C   -2.6786010973   1.1774484379   1.6520133632
C   -3.5328435466   0.7440412958   0.6519188551
C    4.6679947135  -1.5309620873   0.7240626362
H    0.4133550907   1.3597814643  -0.5363209034
H    1.8418491188   0.7432253779  -1.3626445303
H    2.6715221415   3.8631414014   0.5159646750
H    1.0360926283   3.5741947462  -0.0770571186
H    1.9027342408   2.9448110004  -2.3017862847
H    2.4428584325   4.5237798192  -1.8059390230
H   -0.7248341030   1.0007762640   2.4988338167
H   -3.7949003542  -0.5004752419  -1.0626013343
H    4.0451418023   0.3167987498  -0.3202287143
H    4.1505880708   1.9695392160  -1.7139860098
H    4.3223042758   3.2980623460  -2.8404377328
H    4.6829331705   3.5446464580  -1.1350056391
H    1.8866092774  -2.5799620785   1.8612968700
H   -3.0086076564   1.8987852319   2.3872561096
H    5.7352950769  -1.6036597293   0.5874271754
*