! 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  -0.6299347526  -0.6424587102  -2.3870256740
Cl  -5.3530261241  -0.8030926048   0.1388674300
O    0.8738345257  -2.0400543649   0.1268118214
N    1.4241352757  -0.8006541987   0.2403403589
N    4.4678923778   1.9178740953   1.8692097266
C    1.0204872980   1.5492000272   0.4286060159
C    0.5604857557   0.1250118678   0.3005286158
C   -0.9022878207  -0.1088350853   0.2474484414
C    2.5088395981   1.6976606013   0.5024263025
C   -1.5442538059  -0.4724637006  -0.9318798456
C   -1.6748043527   0.0446990086   1.3928596528
C    3.3029682161   1.6846698872  -0.6371582278
C    3.1525872926   1.8188764360   1.7272879767
C   -2.9118282416  -0.6849654367  -0.9801869430
C   -3.0431333013  -0.1681315439   1.3760991084
C   -3.6467129476  -0.5332703127   0.1845348723
C    4.6770828575   1.7902852912  -0.5039273921
C    5.2118452411   1.8992884516   0.7710341192
C    1.8910981481  -3.0035840557  -0.0580412336
H    0.6182362357   2.1126160441  -0.4193812993
H    0.5507284114   1.9870923559   1.3150806120
H   -1.1980882609   0.3262000630   2.3230613395
H    2.8527283594   1.5942937473  -1.6185112197
H    2.5675242909   1.8368042479   2.6421408781
H   -3.3923995455  -0.9657972564  -1.9069927625
H   -3.6232191585  -0.0533132349   2.2809061125
H    5.3262956573   1.7854514534  -1.3688548448
H    6.2844575120   1.9784208430   0.9091565505
H    1.3862849149  -3.9649158658  -0.1318030864
H    2.5847493143  -3.0326459197   0.7854994847
H    2.4546319256  -2.8305898899  -0.9780990367
*