! 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   3.2262916142  -2.2738325227  -0.5259956157
Cl   2.4442492863   0.0250415313  -2.0615038512
Cl   5.0216476582  -0.0468106944  -0.7821812176
Cl  -4.0807087457   2.0303833708   0.3670189705
Cl  -4.8974069703  -0.3045993121  -1.1052101563
Cl  -4.3594827421  -0.5008681060   1.7122404350
O    4.4263297381   1.5666122399   2.4870954094
O   -1.3589489756  -1.4817520036  -2.3523500202
N    1.3154483458   0.1983344352   0.8172531067
N   -1.5398153263   0.2560020088   1.0093490290
N    3.4181475462  -0.3563310861   1.7978126811
N   -2.0194886888   0.4664078084  -1.3752571886
C   -0.7545356867  -0.8283737359   1.5689395448
C    0.5655386232  -1.0433328759   0.8428349353
C   -0.7603080510   1.4820203861   0.9861297033
C    0.5835122871   1.3339022834   0.2824775894
C    2.7277151040   0.1882244150   0.6586862641
C   -2.3820806644  -0.0800265851  -0.0957794657
C    3.3130116119  -0.5032613541  -0.6186055894
C   -3.8633319598   0.2773668824   0.2091088868
C    4.1905320430   0.3820087345   2.6166685496
C   -1.5179221546  -0.2780728262  -2.3803456757
H   -1.3337161924  -1.7522268152   1.5578718208
H   -0.5513700206  -0.5957767365   2.6186871004
H   -1.3161685656   2.2978329649   0.5252949131
H   -0.5908402882   1.7823387583   2.0244943083
H    0.3700001242  -1.4433290326  -0.1621529879
H    1.1230475529  -1.8081599193   1.3866035391
H    1.1651441016   2.2417030037   0.4591946972
H    0.4227023004   1.2662672737  -0.7977665218
H    3.0435048415   1.2292656608   0.5663250015
H   -2.3871035847  -1.1654534239  -0.2130479936
H    3.2889255024  -1.3264048427   2.0419023776
H   -2.0846828770   1.4617607662  -1.5305913415
H    4.6009963403  -0.2192710872   3.4393710303
H   -1.2683727662   0.3352601702  -3.2571193364
*