! 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  -6.5650507342   4.7763329614   0.3162430339
O    1.9014411024   0.9658931223   0.4778173642
O    1.1634774816  -3.0861289828   0.7911626921
N    2.3091277052  -1.2276263134   0.1743041783
N    3.2186956260  -3.3701505361  -0.1324114480
N    5.0587186124  -4.5726538831  -0.0260946544
C    1.3026699220  -0.2795556005   0.7370008228
C    3.3184085355  -0.4959879620  -0.6344146643
C    2.5948017374   0.8498307871  -0.7380672010
C   -0.0381159083  -0.3970877976  -0.0035449285
C    1.1646192369  -0.4129055883   2.2431854586
C    4.6362658675  -0.3062284761   0.1104209803
C    3.5464194508  -1.0645938961  -2.0274621508
C   -1.0357035152   0.6955852582   0.3663215350
C    2.1386070596  -2.5445387302   0.3145596532
C   -2.2813776190   0.6074460822  -0.5036295722
C   -3.3279189647   1.6661343537  -0.2661428387
C    3.1298484810  -4.3041470281  -1.1351309615
C    4.3919766655  -3.5964367685   0.5174663770
C   -3.2536795122   2.5930534777   0.7683503091
C   -4.4326224238   1.7290269598  -1.1169091513
C    4.2861458641  -5.0170417867  -1.0646778590
C   -4.2434630037   3.5507975776   0.9548768859
C   -5.4289375733   2.6748150293  -0.9485454693
C   -5.3250873249   3.5842703674   0.0939740032
H    3.2866522870   1.6860678054  -0.8362805560
H    1.9153748290   0.8707433196  -1.5997345279
H   -0.4768408316  -1.3733656494   0.2021587613
H    0.1441652957  -0.3682271323  -1.0825330012
H    2.1435974108  -0.4731762293   2.7197374361
H    0.5883945032  -1.2915052372   2.5222918749
H    0.6524639154   0.4604900320   2.6469316804
H    4.4807886417   0.1102673552   1.1061523815
H    5.2724467374   0.3843409760  -0.4451579113
H    5.1941385249  -1.2345821013   0.2118643834
H    2.6079743813  -1.3370641938  -2.5121297350
H    4.0217036462  -0.2984927834  -2.6431963078
H    4.2070099697  -1.9294069241  -2.0372002355
H   -1.3166339876   0.6005135281   1.4185984269
H   -0.5757791197   1.6798936501   0.2491037638
H   -2.7460376514  -0.3753319112  -0.3708933076
H   -1.9857898806   0.6479071437  -1.5568099838
H    2.2869190670  -4.3546256046  -1.8039395985
H    4.6834751097  -3.0380856116   1.3933454101
H   -2.4162868547   2.5889892105   1.4536555550
H   -4.5183941487   1.0224154533  -1.9343758693
H    4.6035428731  -5.8236647023  -1.7067421221
H   -4.1625743346   4.2611046045   1.7668860895
H   -6.2739965259   2.7019156840  -1.6234185988
*