! 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  -0.6835290661   0.4453914449  -2.3113176351
Cl  -5.3441815834  -0.9040988756  -0.0303607636
O    0.8638505180  -2.2352231619   0.2672018382
N    1.4216757461  -1.0013718072   0.4089122202
N    4.6184509652   1.7769955695   1.6564650819
C    1.0431150096   1.3530263451   0.5776627793
C    0.5697827943  -0.0623796610   0.3993501297
C   -0.8918583158  -0.2822383326   0.2809192125
C    2.5311346114   1.5103033596   0.5038683566
C   -1.5674332241  -0.0594744579  -0.9121277379
C   -1.6285815624  -0.7162635847   1.3779947262
C    3.2036053928   1.4979962054  -0.7122982673
C    3.2968824344   1.6534028995   1.6534524422
C   -2.9364999759  -0.2417102564  -1.0243126236
C   -2.9965090422  -0.9100086096   1.2965063334
C   -3.6367596147  -0.6680318296   0.0914151242
C    4.5814829649   1.6277754346  -0.7242653503
C    5.2440684336   1.7611861729   0.4872001015
C    1.8728142463  -3.2261503048   0.3000998265
H    0.5580423759   1.9835061070  -0.1728440090
H    0.6691375751   1.7138223887   1.5415176738
H   -1.1250963280  -0.9024962653   2.3176033832
H    2.6558019757   1.3881853877  -1.6407449603
H    2.8107687688   1.6686847738   2.6243965961
H   -3.4413214916  -0.0619590709  -1.9632965645
H   -3.5511782658  -1.2465973732   2.1611349723
H    5.1366630893   1.6251343435  -1.6524842098
H    6.3233609223   1.8627138080   0.5112638855
H    2.5811853194  -3.1147675013  -0.5246334227
H    1.3619157017  -4.1824281353   0.1980695594
H    2.4211970428  -3.2184946660   1.2452025604
*