! 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   0.8833885386   0.3034561556  -2.7427208331
Cl   3.7225039087  -2.6666410379   0.6804715188
O   -1.0069819856   1.9557539422   0.8712621228
N   -2.3605703023  -0.5781580165   0.1651643014
N   -2.4152470767  -2.5777881940   1.0915954543
C   -0.7554324745   1.2446156630  -0.3123616723
C   -2.0001989672   0.4658268131  -0.7611894524
C    0.3964319559   0.3025944527  -0.0678880697
C    1.1739001457  -0.1993076076  -1.1069769877
C    0.6795255581  -0.1560060577   1.2159929893
C   -2.9777833720  -0.4272121670   1.3761045185
C   -2.0352480704  -1.8854867958   0.0515720149
C   -1.5770543173   3.2405637424   0.6888729748
C    2.1995680394  -1.1074968399  -0.8948912705
C    1.6934301243  -1.0660186000   1.4601262218
C    2.4477663482  -1.5335275307   0.3976966247
C   -3.0066026802  -1.6746664001   1.9284486173
C   -0.5962010952   4.2127402127   0.1139907347
C   -0.8177394262   4.9252555348  -0.9827802945
H   -0.4977694511   1.9311401443  -1.1289418323
H   -2.8445745840   1.1452414891  -0.8863841392
H   -1.8213217875   0.0130900453  -1.7362040813
H    0.0975071564   0.2013779752   2.0536675073
H   -3.3492381519   0.5216083197   1.7240714547
H   -1.5282538382  -2.2725278007  -0.8198275868
H   -2.4836085208   3.2024472375   0.0718330859
H   -1.8859108711   3.5633008513   1.6858607769
H    2.7908840647  -1.4714427559  -1.7233694304
H    1.8870767532  -1.4036067547   2.4688307278
H   -3.4263755950  -1.9667287563   2.8787891426
H    0.3380700898   4.3278300168   0.6564050101
H   -0.0928290647   5.6402643565  -1.3505107284
H   -1.7395331735   4.8344719649  -1.5474306895
*