! 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   2.1115697363  -0.2605339468   2.4073034621
Cl  -7.1565419199   0.5257347590  -1.9426649806
O    3.9641198742  -0.3068450055   0.1831186205
O    3.3218702757  -0.2985391629  -1.9425536813
O   -2.3015054713  -1.6073516223   0.5438398856
N    2.7035758958   2.3448385901   0.4900526907
N    1.4439855935   2.6612979685   0.7983789763
N    2.8261822396   3.2318255531   2.4629496833
C    2.9725927553   0.1676552446  -0.6712808793
C    4.4835934021  -1.5266888420  -0.3492761500
C    3.0388511788   1.6968189479  -0.7485318421
C    3.8493264265  -1.5976470203  -1.7447487816
C    1.5754688774  -0.3249252175  -0.2876473382
C    4.1617487692  -2.7197665125   0.5214483287
C    1.1226168060  -0.5296251503   1.0135276516
C    0.6563156873  -0.5415452375  -1.3137283387
C   -0.1771121164  -0.9396371299   1.2756629290
C   -0.6415745363  -0.9557735024  -1.0810356979
C   -1.0544778620  -1.1536153729   0.2284009731
C    3.5155761694   2.6847272608   1.4936696723
C    1.5653321555   3.1852191367   1.9896642824
C   -3.3967097951  -1.0715500044  -0.0713418534
C   -4.4684504908  -1.9220284156  -0.3018374087
C   -3.4817561610   0.2735300933  -0.4076524510
C   -5.6314968440  -1.4298046024  -0.8713171054
C   -4.6410682427   0.7631675619  -0.9881530602
C   -5.7084332607  -0.0902287949  -1.2175949097
H    5.5685245902  -1.4104213200  -0.4213787874
H    2.3552390032   2.0575409295  -1.5155785386
H    4.0495587556   1.9910884937  -1.0312908830
H    4.5701411497  -1.8064575616  -2.5344019295
H    3.0584490479  -2.3558617459  -1.7894267091
H    4.5948088145  -3.6191948838   0.0805189052
H    3.0864066530  -2.8789228262   0.6137530189
H    4.5822335450  -2.6093657575   1.5206408731
H    0.9650441584  -0.3910099829  -2.3391937159
H   -0.5091536087  -1.0897119224   2.2946085107
H   -1.3104421632  -1.1248585744  -1.9147315807
H    4.5815808927   2.5265949989   1.4665156706
H    0.7130577758   3.5606669722   2.5340108209
H   -4.3982111326  -2.9679856790  -0.0326122164
H   -2.6601186774   0.9524544072  -0.2190618495
H   -6.4650669630  -2.0955652902  -1.0488912377
H   -4.7046843793   1.8101543142  -1.2507901040
*