! 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  -1.0900335403   0.8941384888  -2.8680053394
Cl  -5.0670358353   2.5809325023   0.2755302455
F    3.2260264878  -0.3253438089  -1.3546675384
F    3.5672367915   1.3922720401  -0.0904404195
F    4.7696333592  -1.8717846115   0.3443642011
F    5.1587871259  -0.0988091416   1.5600727512
O    2.5419153041  -0.4011210322   0.7744189296
N   -0.8063337449  -2.1121278857   0.3533270441
N   -0.4610402398  -2.3853203970   1.6133209125
N   -2.6257142617  -2.8459574867   1.2799471739
C    0.3509926445  -0.0143706559  -0.3084235116
C    0.1172810788  -1.5120697565  -0.5767986742
C    1.2711599988   0.2535994745   0.8826204262
C   -0.9738602835   0.6933220819  -0.1560660942
C   -1.7135365871   1.1088063859  -1.2636407628
C   -1.5610333381   0.8873504299   1.0928128273
C    3.4787187939   0.0422078714  -0.0662553144
C   -2.9653912734   1.6917159734  -1.1476051964
C   -2.8093683074   1.4661690400   1.2434692109
C   -2.1010411863  -2.3818186325   0.1716986002
C   -3.5039465016   1.8638378297   0.1154546265
C    4.8469534158  -0.5235953064   0.3163928119
C   -1.5817474994  -2.8242926228   2.1300134572
H    0.8382235752   0.3800192845  -1.2017086905
H   -0.2986711905  -1.6448278542  -1.5743636425
H    1.0526286593  -2.0687179672  -0.5474910171
H    1.4019870800   1.3281358034   1.0208634004
H    0.8674090963  -0.1511056063   1.8066433272
H   -1.0453013628   0.5778194152   1.9912397683
H   -3.5095136108   2.0018538553  -2.0288461495
H   -3.2299416425   1.5949830127   2.2309363084
H   -2.6063321837  -2.2349583967  -0.7704378465
H    5.6268850525  -0.2155272881  -0.3818098892
H   -1.6470878165  -3.1481932927   3.1572229122
*