! 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  -0.3431015097   0.8013352971  -2.5464127116
Cl   3.6985575690   2.5934800167   0.4261061736
O   -2.4070878913  -0.0414584221  -0.5961030569
O   -1.8168429036  -1.0096034877   1.3113803770
N    0.1502600664  -2.6187515245  -0.3972967611
N    0.3700981507  -3.1703485594   0.7962265215
N    2.2405462501  -3.1917999611  -0.4347585402
C   -1.3561250626  -0.7099356163   0.0302817504
C   -3.1557683143   0.6615350232   0.3926979100
C   -2.6281350735   0.0808639118   1.7142380476
C   -1.1110834220  -2.0175971314  -0.7340930497
C   -0.0891200464   0.1459875866   0.0980088990
C   -2.9886184132   2.1653357990   0.2748545895
C   -3.8846614310   2.9047706342   1.2578801235
C    0.4188628581   0.8506711666  -0.9911977201
C    0.6390681809   0.2000211800   1.2830307849
C    1.5786936924   1.6055723966  -0.9002560396
C    1.7983318556   0.9464883794   1.4044939539
C    1.2750832990  -2.6267533433  -1.1157951815
C    2.2547085048   1.6520384283   0.3059239693
C    1.6334321237  -3.5021693978   0.7269789188
H   -4.2082544417   0.4015547877   0.2430701362
H   -2.0445828080   0.8186932757   2.2776662778
H   -3.4164229618  -0.2983353441   2.3635627429
H   -1.1097062537  -1.8248783593  -1.8046355420
H   -1.9181332811  -2.7182353724  -0.5213819387
H   -1.9428546854   2.4373288174   0.4460446766
H   -3.2320295808   2.4728832442  -0.7447324989
H   -4.9376987809   2.6682264839   1.0942508124
H   -3.6497988322   2.6599012839   2.2958867801
H   -3.7707157469   3.9834607444   1.1500590441
H    0.2957309266  -0.3556654875   2.1441250066
H    1.9475257609   2.1451379264  -1.7615270379
H    2.3332391768   0.9691828935   2.3435569443
H    1.3356451070  -2.2257542539  -2.1153956882
H    2.1380077939  -3.9929224542   1.5444935895
*