! 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   0.7131510401   0.4041626190  -2.8412523476
Cl   3.7474517508  -2.6054406874   0.3762864141
O   -1.1103343486   1.9637422544   0.8611924138
N   -2.3898959198  -0.6103508847   0.2494706828
N   -3.0259295271  -1.6455562238   2.0873088238
C   -0.8434389612   1.2457883780  -0.3151924761
C   -2.1060113956   0.4603650396  -0.6745839834
C    0.3391441714   0.3149055739  -0.1512308794
C    1.0854614931  -0.1370276599  -1.2344644213
C    0.6785722893  -0.1791804110   1.1049774273
C   -2.0160168212  -1.9185176352   0.1086583583
C   -2.9837385847  -0.5002343515   1.4594575419
C   -0.2073876708   3.0146205913   1.1239298316
C    2.1343024877  -1.0319585465  -1.0907440560
C    1.7200559986  -1.0723523282   1.2833264481
C    2.4412685614  -1.4910730944   0.1779592422
C   -2.4217791024  -2.5413407574   1.2513535709
C   -0.4859281351   4.2726064243   0.3640951163
C   -1.5509559416   4.5250417157  -0.3850016825
H   -0.6569949576   1.9327991389  -1.1498472051
H   -2.9573603419   1.1410157753  -0.7100566643
H   -1.9985617545   0.0354127865  -1.6712273916
H    0.1180438603   0.1418831939   1.9727176603
H   -1.5133420222  -2.2825902609  -0.7722390282
H   -3.3771984869   0.4362905534   1.8232846873
H   -0.2673671426   3.2217483670   2.1966767755
H    0.8311236435   2.7089261793   0.9407327982
H    2.6981668469  -1.3609831157  -1.9524895103
H    1.9599363545  -1.4369209920   2.2724654773
H   -2.3140397602  -3.5831786097   1.5115142496
H    0.2817207529   5.0327890353   0.4756933099
H   -1.6587761163   5.4764027651  -0.8896561098
H   -2.3544500337   3.8129794802  -0.5274718138
*