! 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  -0.9926053100   1.0294349294  -3.1638411231
Cl  -4.4197513897  -0.4453490592   0.7064365941
O    1.0047189219   0.7444924301  -1.1527358389
O    4.8031343834  -0.7026512768   2.8066219741
O    2.5859990826  -0.5695354630   2.6517306139
C    2.6395337105  -0.8010557227  -0.1968974236
C    2.1596867552   0.6351324354  -0.3294136808
C    3.8948927288  -0.9081159920   0.6535133475
C   -0.2002667396   0.4460128073  -0.6538716806
C    3.6638805992  -0.7017391465   2.1241354776
C   -1.2849990886   0.5497987794  -1.5319369198
C   -0.4587849749   0.0578597489   0.6583109651
C   -2.5778502603   0.2805376976  -1.1248309144
C   -1.7521757299  -0.2143114431   1.0786525429
C   -2.8033096210  -0.1024310025   0.1880570579
H    2.8665669525  -1.1821588125  -1.1944370315
H    1.8592630202  -1.4461486706   0.2113633288
H    2.9197748287   1.2294055232  -0.8381731025
H    1.9840995091   1.1066950742   0.6413831786
H    4.6628014238  -0.2059327738   0.3156493611
H    4.3384080516  -1.9008967120   0.5333155175
H    0.3418348879  -0.0497503321   1.3772672362
H   -3.3956640680   0.3711290366  -1.8262674142
H   -1.9236445767  -0.5149398698   2.1028573380
H    4.6236498037  -0.5874254470   3.7522934588
*