! 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   1.4672130290   1.7723245137   1.9634252006
Cl   4.6479217817  -0.2718957144  -1.7898012197
O   -1.6625665320  -0.9367327862   0.1615496294
O   -0.8784872480  -0.0822282555   2.0723571530
N   -1.3926682356   1.7379001709  -1.0407823298
N   -0.4007876547   2.5013911439  -1.5041821013
N   -1.6321199780   1.7057271594  -3.1956268905
C   -0.8580901885   0.0810531460   0.6910702825
C   -1.9116270575  -1.9255040714   1.1656069050
C   -0.9923294307  -1.4758884262   2.2974322027
C   -3.3888038194  -1.9286762582   1.5276211356
C   -1.5026525103   1.4342770231   0.3620804995
C    0.5538559861  -0.0257807234   0.1143005250
C   -3.7967587559  -3.0784673955   2.4454189259
C    1.6312969386   0.7086451988   0.6062812002
C    0.7924210191  -0.8385072829  -0.9891465937
C   -3.7378984578  -4.4511388334   1.7895835676
C    2.8910352967   0.6363513752   0.0326198383
C    2.0393304169  -0.9299754719  -1.5844965689
C   -2.1145050095   1.2630024816  -2.0598630605
C    3.0815994850  -0.1852714923  -1.0644793571
C   -0.5848373113   2.4556589440  -2.7978282476
H   -1.6047919011  -2.8979891079   0.7722202140
H   -1.4056141618  -1.6326042651   3.2936578896
H   -0.0144164705  -1.9675895683   2.2491570422
H   -3.9761095137  -1.9797874864   0.6055985237
H   -3.6384293452  -0.9747548730   2.0033991956
H   -1.0278253564   2.2416239628   0.9139076635
H   -2.5546767966   1.4049953184   0.6460857614
H   -4.8175592675  -2.8940976816   2.7881781859
H   -3.1802968677  -3.0769778446   3.3499247528
H   -0.0170897021  -1.4194795122  -1.4067060429
H   -2.7281648364  -4.7250267100   1.4794618105
H   -4.0808953174  -5.2257613256   2.4769702735
H   -4.3755931153  -4.4940149143   0.9042761823
H    3.7086176007   1.2174806346   0.4360637219
H    2.1860448370  -1.5716940927  -2.4421811110
H   -2.9702432798   0.6199457462  -1.9276969534
H    0.0561450399   2.9893764020  -3.4823056315
*