! 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   0.1415641725  -0.9745564192  -2.6558850246
Cl   4.5384973858  -0.7437781546   0.3396386370
O   -2.0457500377  -1.5361622923  -0.7789161792
O   -1.9943249387  -0.6400014032   1.2836263049
N   -1.4747643936   1.9604680550   0.1508168236
N   -2.1217888252   2.3687845829   1.2438194713
N   -0.2688222129   3.5848441560   0.9338734193
C   -1.4882707204  -0.5043841027  -0.0075703654
C   -1.9372873740   0.8380645832  -0.6222954622
C    0.0284277318  -0.5981576083   0.0547248997
C   -2.9583969659  -2.2729756452   0.0254175865
C   -3.2255205133  -1.3346946188   1.1826024738
C    0.8231518676  -0.7960111144  -1.0734419469
C    0.6834047672  -0.4278308013   1.2717399728
C    2.2072314499  -0.8458700658  -0.9945159761
C    2.0629315455  -0.4677768034   1.3780518693
C   -0.3686275256   2.6900884678  -0.0180624787
C    2.8149809520  -0.6825657096   0.2370738367
C   -1.3643905866   3.3414941400   1.6796552064
H   -3.0259234995   0.8780602040  -0.6720409533
H   -1.5629766671   0.9418954375  -1.6394440813
H   -2.5027884144  -3.2093537300   0.3582043100
H   -3.8498683764  -2.5017598470  -0.5574790336
H   -4.0547109648  -0.6494756102   0.9783455918
H   -3.4177719114  -1.8441473749   2.1257809817
H    0.1090075343  -0.2571988247   2.1708217641
H    2.7978009805  -1.0082992881  -1.8854440123
H    2.5364537569  -0.3313651566   2.3402716728
H    0.3133079279   2.5433090316  -0.8411393392
H   -1.6165731752   3.9062334206   2.5636901988
*