! 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  -4.5899021603  -0.1219250803  -0.0192658391
O    1.2076720298  -0.3575267111   0.7069015615
O    2.2009907277   0.6138561580  -2.0350349181
O    3.3407345097   1.7973040224  -0.5271566350
C    3.4251060694  -1.1723552529   0.5276214698
C    1.9611114612  -1.5518774238   0.5737502921
C    3.8515521942  -0.5331923174  -0.7970563674
C   -0.1267764635  -0.3783124412   0.5382404395
C   -0.7798840310   0.8519307056   0.7216329952
C   -0.8550870057  -1.5160655729   0.2110725624
C   -2.1533694830   0.9053185201   0.5453925383
C   -0.0082855030   2.0739591640   1.1162805625
C   -2.2322197828  -1.4436648489   0.0364686796
C    3.1199665987   0.7488831917  -1.0844906007
C   -2.8713723434  -0.2321111434   0.1998703455
H    4.0113565067  -2.0828429882   0.6619907166
H    3.6689656791  -0.5186048643   1.3680635198
H    1.7614888064  -2.2160433649   1.4212739724
H    1.6898916556  -2.0901838928  -0.3411283932
H    3.7053906400  -1.2466158139  -1.6089648274
H    4.9171759373  -0.3022448338  -0.7501643387
H   -0.3758147726  -2.4772562346   0.0857340349
H   -2.6668851356   1.8486460136   0.6823210920
H    0.7664018098   2.3256608902   0.3909564713
H   -0.6692299803   2.9349733467   1.2056685586
H    0.4921067035   1.9402090607   2.0774532368
H   -2.7856047825  -2.3355270472  -0.2243846845
H    1.7444884328   1.4568060617  -2.1789011905
*