! 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  -0.0307163028   1.5894769437   1.5298336030
Cl  -4.5264643654   0.1171889930  -1.0195769860
O    1.0363157716  -0.8575118875   0.5132941633
O    3.4120358828   1.2350727972   0.8940156877
O    2.5566201274   1.3700052128  -1.1597943736
C    3.2420069019  -1.7013938826   0.3389541835
C    1.7826368748  -1.9822474218   0.0649516154
C    3.8144717393  -0.5872410706  -0.5394097568
C   -0.2345323301  -0.7085842174   0.1314820637
C    3.1792568670   0.7590204227  -0.3261729171
C   -0.8863014149   0.4574323232   0.5478322544
C   -0.9516511674  -1.6190814399  -0.6387253270
C   -2.1989705194   0.7157145809   0.2037703866
C   -2.2688254171  -1.3683871258  -0.9958543758
C   -2.8834968046  -0.2039113548  -0.5764890335
H    3.7966516805  -2.6172969293   0.1278292581
H    3.3934154634  -1.4863080790   1.3988184096
H    1.4535711874  -2.8829828736   0.5923235692
H    1.6318288811  -2.1447709511  -1.0073715447
H    3.7048253377  -0.8521731532  -1.5913987224
H    4.8850899829  -0.4949714464  -0.3385777283
H   -0.4991282321  -2.5430942611  -0.9710000920
H   -2.6773306077   1.6254396734   0.5397458874
H   -2.8015453473  -2.0902494614  -1.5995277378
H    2.9672732446   2.0885563302   1.0033385666
*