! 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   2.3052576325  -1.8825003243   0.0516015874
Cl   3.6733305947   0.9511219714   0.2286768538
O   -2.6807607681  -1.6622769837  -0.3665442241
N   -2.2002854969   0.5583289887  -0.2855985249
C   -0.8133668111   0.5751620793  -0.1705702258
C   -4.5089078257  -0.1085394994  -0.3926181687
C   -3.0516178683  -0.5026816179  -0.3609046841
C   -0.0193244101  -0.5690012367  -0.1251377287
C   -0.1974132343   1.8273117332  -0.0991566683
C   -5.0078347371   0.3046188731   0.9912860993
C    1.3568922912  -0.4452481823  -0.0041084021
C    1.1722756610   1.9361701098   0.0197231962
C    1.9656083036   0.7992781411   0.0707351303
H   -4.6636527989   0.7082474491  -1.1017225344
H   -5.0779853352  -0.9646239842  -0.7534689554
H   -2.6307041314   1.4710597069  -0.3065537685
H   -0.4530261391  -1.5533503821  -0.1814678989
H   -0.7945983909   2.7300632107  -0.1349377582
H   -4.8640881281  -0.4935991040   1.7199235721
H   -6.0731826912   0.5298864297   0.9528808531
H   -4.4978082781   1.1943669231   1.3621460740
H    1.6281082730   2.9153904982   0.0752290146
*