! 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  -5.9382823333  -4.5248916494  -0.4036077188
F    0.4038456926  -2.2621331526   1.0866390101
F    2.2522354868  -1.6350299961   0.2440017889
F    1.5973737338  -0.8625105255   2.1618965581
O    3.2364984776   0.7712796538   0.7684371378
O   -3.0648366505   0.5724208930  -0.6168953062
N    4.0773792041   3.3257268681   0.2194473419
N    4.5187446805   3.2723110875   1.4781198597
N    6.1560583750   3.9362970043   0.1063608159
C    2.5702045330   1.4101258709  -0.2835367105
C    1.0741053599   1.0678143292  -0.3364928152
C    2.7270740223   2.9468341178  -0.1124962931
C    3.2347123959   0.9537814327  -1.5791876195
C    0.4630565289  -0.0692383721   0.2221008446
C    0.2420429350   1.9422159517  -1.0381301642
C   -0.9185721723  -0.2406299197   0.1326426667
C   -1.1214570797   1.7624223144  -1.1563689180
C   -1.7093273645   0.6704217964  -0.5450566888
C    1.1972826151  -1.1893906527   0.9279114286
C    5.0640502123   3.7236488046  -0.5873049953
C    5.7663785265   3.6476136191   1.3632209598
C   -3.6811541879  -0.6482379801  -0.5586687121
C   -3.2988634124  -1.6998054536  -1.3812468509
C   -4.7542202423  -0.7843736892   0.3075884962
C   -3.9930622235  -2.8974692391  -1.3284701657
C   -5.4580068238  -1.9780495278   0.3516129056
C   -5.0684000240  -3.0284745242  -0.4629822688
H    2.4566706208   3.4813638347  -1.0199714868
H    2.0804006168   3.3108380903   0.6871253020
H    4.3008903747   1.1878413774  -1.5805275255
H    3.1348438191  -0.1224429476  -1.7142002119
H    2.7788036350   1.4396056375  -2.4418655958
H    0.6610702011   2.8069719317  -1.5327457004
H   -1.3883043923  -1.0940609351   0.5993350632
H    3.0546739085   1.2227967758   1.6009430517
H   -1.7210824320   2.4720068683  -1.7115517002
H    4.9394636077   3.8491881923  -1.6516734848
H    6.4208460481   3.7189695308   2.2180555184
H   -2.4697156668  -1.5967731244  -2.0696583350
H   -5.0474728770   0.0406908598   0.9434754540
H   -3.6967743313  -3.7168355195  -1.9688583817
H   -6.2974818137  -2.0825715383   1.0251967758
*