! 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  -0.8208211043   1.4195113986   2.9896685268
F    5.7116992740  -0.2931733637   0.1630594529
O   -0.3455016087   0.8914001984  -1.3132858260
N   -0.5869653035  -2.0011706932  -1.3439971214
N    0.4961504397  -2.6651997478  -1.7476235791
N   -1.1238916603  -2.7936945295  -3.2882065776
C    0.1502235554   0.0610096294  -0.2835173587
C   -0.5127406903   1.3431927468   0.0138303830
C   -0.6069537458  -1.2423084845  -0.1188406460
C    1.6366734302  -0.0225870211  -0.1793984510
C   -1.9064581491   1.4252909159   0.5193330906
C    2.2258207352  -0.2396217499   1.0615566619
C    2.4435593950   0.0972130890  -1.3035723707
C   -2.1576388936   1.4833157556   1.8861082514
C   -2.9921103566   1.4551320503  -0.3493317790
C    3.6026924074  -0.3329339994   1.1880614223
C    3.8235386179   0.0056219759  -1.1952690097
C   -1.5413816125  -2.0780494957  -2.2731410371
C   -3.4445510980   1.5719628547   2.3888744513
C   -4.2874298284   1.5441747158   0.1375971986
C    4.3771375330  -0.2075560653   0.0510806388
C   -4.5130264924   1.6029743809   1.5047825799
C    0.1270830761  -3.1255476306  -2.9153152536
H    0.1352908157   2.1721766961   0.2966137521
H   -1.6508381222  -1.0676255970   0.1384941692
H   -0.1708433471  -1.8432373483   0.6777967545
H    1.6117152937  -0.3296393171   1.9491901484
H    2.0051293712   0.2626402384  -2.2784471815
H   -2.8220867337   1.4130553097  -1.4171164569
H    4.0628287481  -0.4945912846   2.1538179281
H    4.4556337421   0.0967013865  -2.0687687358
H   -2.5097201011  -1.6160345231  -2.1614053622
H   -3.6134467657   1.6107404726   3.4564464598
H   -5.1199770646   1.5680677181  -0.5526100773
H   -5.5212663445   1.6709928502   1.8908151420
H    0.7840595776  -3.7294578150  -3.5216583518
*