! 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  -2.5510945554  -2.6547973093   0.0700589075
Cl  -4.3091265665   2.4344424599  -0.5448883411
O   -0.0891886316  -1.3514452296   0.9385280209
O    2.2059694435  -1.1657687076  -1.7368043463
N    2.3609781388  -0.3043555206   0.3684357197
C    0.6553005072  -1.9634262093  -0.1150893954
C   -1.0621720582  -0.4795311843   0.5637735935
C    1.8133028625  -1.0840180202  -0.5873735593
C    1.1818201406  -3.2892145315   0.3982802794
C   -3.3448570932  -0.0932164168  -0.2394939521
C   -2.3004424158  -0.9454376736   0.1258708759
C   -0.8580387554   0.8876779853   0.6571561272
C    3.4314916405   0.5937446246   0.2786961521
C   -3.0877595397   1.2739953028  -0.1298062408
C   -1.8719118671   1.7635713482   0.3181374521
C   -4.6471134213  -0.6558397880  -0.7133068340
C    4.1906438710   0.8059633895  -0.8720036988
C    3.7329315570   1.3166384836   1.4355042481
C    5.2257716105   1.7318621923  -0.8457447830
C    4.7679246384   2.2342005203   1.4458234202
C    5.5237107480   2.4505298640   0.3012755036
H    0.0209024959  -2.1310596038  -0.9901647052
H    0.3526805871  -3.9416955303   0.6703419043
H    1.8195329706  -3.1566690122   1.2730157404
H    1.7635739170  -3.7889984043  -0.3751296506
H    1.9428911261  -0.3689926085   1.2857829941
H    0.0870583991   1.2767617994   1.0103241719
H   -1.7085962101   2.8288983747   0.3993921651
H   -4.5015823355  -1.2862331407  -1.5913391413
H   -5.3561176584   0.1217049667  -0.9811916182
H   -5.1108669264  -1.2744142736   0.0559872773
H    3.9913584756   0.2658949709  -1.7826392792
H    3.1498816231   1.1586592967   2.3358160242
H    5.8069462553   1.8863911759  -1.7457895505
H    4.9808954709   2.7817876366   2.3545175126
H    6.3333382765   3.1680382911   0.3054907925
*