! 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  -0.7912073492   2.0313426948  -2.2036603308
Cl  -4.9613068213  -0.6724234798  -0.1535721335
O    0.7320617882   0.6802079200  -0.2062891944
O    5.7269767644  -1.3589111139   1.8728653896
O    3.9176239926  -2.0844445450   0.7951283471
C    3.0340205187   0.6284505660   0.3089809813
C    1.6676801705   0.0987476604   0.6951052780
C    4.1354017905   0.2652719954   1.2948791625
C   -0.5527831407   0.3260155687  -0.1302802671
C    4.5542283400  -1.1770176999   1.2728365983
C   -1.4254465742   0.9108043727  -1.0553657226
C   -1.0829904433  -0.5722174986   0.7910023258
C   -2.7737930962   0.6116917022  -1.0689308846
C   -2.4357266129  -0.8815066103   0.7866520641
C   -3.2722281691  -0.2906872819  -0.1411570373
H    2.9801429736   1.7183335568   0.2653298572
H    3.2970874987   0.2846895182  -0.6938814068
H    1.4245286099   0.3849266439   1.7251179367
H    1.6295733980  -0.9907103246   0.6258006486
H    3.8303004092   0.5028495634   2.3204719902
H    5.0140474609   0.8848997249   1.1058650846
H   -0.4515981379  -1.0475392381   1.5289366662
H   -3.4239737590   1.0781451897  -1.7962991920
H   -2.8216249059  -1.5841735264   1.5121933291
H    5.9545245547  -2.3011194629   1.8738201925
*