! 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   5.3654166683   0.1364706143   0.5079947410
Cl   3.6081513718   1.8611531483  -0.9898542622
Cl   3.3835562139   1.7053017220   1.8744220545
Cl  -4.0050472411   1.1979144729  -1.3994291536
Cl  -5.1373163300  -1.0148762947   0.0601778943
Cl  -4.1641298066   1.2905568444   1.4752937402
O    2.3531489358  -3.1698327030   0.0677871214
O   -1.8990654744  -3.2009192720   0.4200556331
N    1.3584988553   0.1185743431   0.3286407292
N   -1.4704678235   0.5714398444   0.3653994244
N    3.0432632720  -1.2010908145  -0.8336033967
N   -2.3109057067  -1.3622413566  -0.8594532086
C   -0.6810212709   0.5145723061   1.5820788252
C    0.5511519290  -0.3621126524   1.4392100130
C   -0.6490030150   0.9520694372  -0.7684984975
C    0.6151101198   0.1129773271  -0.9177631257
C    2.7018735424  -0.3860317499   0.3001790237
C   -2.4838937513  -0.4241847900   0.2148848174
C    3.7178028294   0.7779172119   0.4111713785
C   -3.8858167832   0.2372564877   0.0874412177
C    2.8025599900  -2.5255243231  -0.8582421656
C   -2.0254426413  -2.6645350733  -0.6621078827
H   -1.2973276073   0.1616872382   2.4090006360
H   -0.3633445116   1.5305397652   1.8362294036
H   -1.2159782137   0.9154469512  -1.6975552145
H   -0.3579559175   1.9984269799  -0.6352596260
H    0.2557412313  -1.4147315365   1.3090924172
H    1.1299310176  -0.3018783983   2.3622629910
H    1.2080030756   0.5516777288  -1.7203873780
H    0.3518340808  -0.9066501907  -1.2335974878
H    2.8745198049  -0.9907522006   1.1947383076
H   -2.5425971015  -1.0120357434   1.1336041525
H    3.3308993250  -0.7685918451  -1.6989339303
H   -2.3831310253  -1.0484890658  -1.8159424720
H    3.0686881479  -2.9738737307  -1.8254186466
H   -1.9136325846  -3.2059236704  -1.6115218484
*