! 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   2.8607283269  -1.2339396326  -0.4726252813
O    0.0366655635  -1.7837524474  -0.9413384516
O   -1.5657246100   2.2652324595   0.2125940621
N   -0.8517433221   0.0782341914   0.0667879815
N    0.6209501168   1.8529178714   0.4193056145
C   -2.2361863237  -0.5223946549   0.1886345280
C   -2.1412790655  -1.9565636466   0.7338238651
C   -3.0810324790   0.2401170098   1.2210231768
C   -2.9238179711  -0.5013680760  -1.1716053404
C    0.2086923312  -0.7167658963  -0.3923460698
C   -0.6749818865   1.4422049275   0.2260495855
C    1.7276869951   1.0810028011   0.2570526245
C    1.5372196183  -0.1883768994  -0.1475980470
C    3.0531054052   1.7116072094   0.4938178299
H   -1.5208718827  -2.0027101439   1.6313851827
H   -3.1435850109  -2.2726827067   1.0226772977
H   -1.7716122678  -2.6821651687   0.0187152983
H   -3.4458928614   1.2003859597   0.8755942691
H   -2.5453847520   0.3848931848   2.1611389923
H   -3.9545517174  -0.3716275251   1.4456898334
H   -2.3746746842  -1.0845886217  -1.9102503617
H   -3.9242989998  -0.9295740328  -1.0887311490
H   -3.0311909463   0.5169698822  -1.5471475393
H    0.7359527301   2.8439521055   0.5816223898
H    2.9529352729   2.7302895675   0.8630555683
H    3.6350326622   1.7402634100  -0.4277067748
H    3.6254013435   1.1412928823   1.2246952435
*