! 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  -4.7596344984  -0.5692494899  -0.0638526502
O    1.8062626538  -1.2459974171  -1.1473636576
N    2.8890098929  -0.4085496737  -0.7955317580
N   -0.3202066234   2.6319959220   1.0847562987
C    2.4815920105   0.1645962751   0.4908139811
C    1.8439542584  -1.0443070760   1.1905127687
C    1.1495052535  -1.7448088324   0.0220928185
C    1.4569713150   1.2605127698   0.2266692745
C    3.6500291351   0.7587700148   1.2675990108
C   -0.3321651638  -1.4580036677  -0.0548365009
C    4.1025306481  -1.2055412174  -0.7812680879
C    1.3568755301   1.9059584927  -0.9982815386
C    0.5957207911   1.6864576728   1.2338414755
C   -1.1639609308  -1.9669883758   0.9391465019
C   -0.8992365403  -0.6931284043  -1.0662293968
C    0.3995949510   2.8933824169  -1.1693491289
C   -2.5233017285  -1.7014231084   0.9459834242
C   -2.2589149996  -0.4168646689  -1.0741470547
C   -0.4230701422   3.2139320315  -0.1033818710
C   -3.0604654165  -0.9187902612  -0.0644094353
H    2.6224901195  -1.6776844079   1.6184040461
H    1.1625599716  -0.7882575449   1.9983555266
H    1.2953577502  -2.8292458126   0.0820649824
H    3.2805317505   1.2215541665   2.1826413017
H    4.1569777810   1.5336622675   0.6908572011
H    4.3814536003   0.0047250736   1.5580661471
H    4.9572649443  -0.5480240507  -0.6334929968
H    4.2217114363  -1.6682217897  -1.7598876222
H    4.1363443276  -1.9960144462  -0.0223661907
H    2.0084651921   1.6283358932  -1.8153961662
H    0.6452657925   1.2411503640   2.2224198713
H   -0.7501611899  -2.5791114544   1.7323890027
H   -0.2864234439  -0.2941886425  -1.8609493828
H    0.2890618353   3.4044268752  -2.1163070259
H   -3.1522248869  -2.1004116502   1.7303601375
H   -2.6819606649   0.1875907928  -1.8651635361
H   -1.1886746430   3.9748116632  -0.2069455937
*