! 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  -0.7652906653   1.7198099259  -2.4911468524
Cl  -4.9552826679  -0.5684122601  -0.0180357906
O    0.7688919515   0.6144044211  -0.3510991873
O    5.4328393640  -1.2328372692   2.3880659244
O    3.9332101544  -2.0555429934   0.9615417207
C    3.0789818173   0.5657394958   0.1531614469
C    1.6989770263   0.1568453033   0.6250296055
C    4.1611513225   0.3341297704   1.1957913941
C   -0.5234176265   0.3092898416  -0.2068051276
C    4.4699477418  -1.1076362334   1.4807430959
C   -1.4015936325   0.7840791524  -1.1882394372
C   -1.0575357220  -0.4399031703   0.8377382026
C   -2.7567840217   0.5214622497  -1.1376279641
C   -2.4165303195  -0.7127165314   0.8986402167
C   -3.2574045087  -0.2322730161  -0.0867704665
H    3.0662071232   1.6330407041  -0.0765381418
H    3.3260544161   0.0435884887  -0.7733103999
H    1.4737039030   0.6133032144   1.5962069164
H    1.6266889714  -0.9280666982   0.7330710801
H    3.9031289315   0.8232854175   2.1404604019
H    5.0891375996   0.8116188914   0.8697544152
H   -0.4249921305  -0.8267778673   1.6241143929
H   -3.4103773338   0.9006005193  -1.9108986732
H   -2.8022868701  -1.3010316150   1.7194204523
H    5.6115432554  -2.1712799428   2.5532893126
*