! 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  -5.0306523956   1.2998428607   0.8048384996
F   -1.9581468127  -1.1460991480  -2.5424734320
F    0.0301047367  -0.6085435743  -1.9343244669
F   -0.8259125871  -2.4743040454  -1.2924790751
O    2.4907992574   1.3934779815  -0.3389269086
N    2.6533306274  -1.1050007976   0.9063290169
N    0.3878547140  -1.0212412976   0.8998076699
N    3.9629240621  -2.8785323032   0.9213752334
C    1.4683448556  -0.3715841400   0.8437035918
C    1.6061193571   1.1225880933   0.7079844897
C    2.7873987257   2.7708174181  -0.4946417670
C   -0.8606260168  -0.4163330314   0.8523936024
C    1.6910276917   3.5574743008  -1.1929055695
C   -1.6555366340  -0.5101257535  -0.2962716857
C   -1.3828691279   0.2134988206   1.9793397326
C   -2.9367116620   0.0224300473  -0.3096778340
C    3.9334438625  -0.6469340598   1.1497169987
C    1.3630036803   3.0286889558  -2.5805336620
C    2.7437347320  -2.4661560167   0.7814479767
C   -1.1058573294  -1.1858328195  -1.5151846959
C   -2.6602467251   0.7437697382   1.9705841333
C   -3.4301929849   0.6437537705   0.8242433652
C    4.7149985530  -1.7532745341   1.1613185628
H    1.9629143186   1.5330062645   1.6648993709
H    0.6127733853   1.5504120268   0.5395823713
H    3.7033608469   2.8101435949  -1.0885972019
H    3.0148922253   3.2218676117   0.4803343058
H    0.7868287029   3.5912554557  -0.5777495707
H    2.0388649533   4.5919200359  -1.2622077460
H   -0.7842333129   0.2762050138   2.8787047823
H   -3.5537648075  -0.0413413570  -1.1948595404
H    4.1751404565   0.3890655876   1.3045452945
H    0.6144469426   3.6516599831  -3.0712780180
H    2.2488437436   3.0174857169  -3.2194003212
H    0.9689124970   2.0126838784  -2.5463295688
H    1.8801997867  -3.0772672559   0.5758403572
H   -3.0460069769   1.2314384424   2.8554744237
H    5.7796920054  -1.8050177375   1.3253319171
*