! 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  -0.4646944166  -0.2945180676  -2.1278004166
Cl   4.1049566985  -1.6713540672   0.2718753991
O   -1.0418722700   2.4832235939   1.1442392256
N   -2.4080381040  -0.8759983424   0.7704060905
N   -3.2821475963  -2.4621345303  -0.4853906445
C   -1.1677206964   1.2469148829   0.4891837888
C   -2.1796997190   0.4409279381   1.3130082824
C    0.1557168501   0.5219908188   0.3902271506
C    0.5483635409  -0.2062071424  -0.7261576760
C    1.0246814024   0.5402996320   1.4775945409
C   -1.6716372102  -2.0054123476   1.0028647431
C   -3.3553885423  -1.2065234478  -0.1359889704
C   -0.7038901397   3.5642517855   0.2908723494
C    1.7582167842  -0.8819459545  -0.7780777924
C    2.2361118725  -0.1276163092   1.4611600462
C    2.5927792950  -0.8338524450   0.3237425817
C   -2.2300907199  -2.9724964548   0.2204788130
C    0.6762734011   3.4674884545  -0.2782480476
C    0.9303630577   3.4053474527  -1.5784129991
H   -1.5862548440   1.3933366720  -0.5135713845
H   -1.8367580144   0.3465457985   2.3444214087
H   -3.1297197240   0.9754115004   1.3312260171
H    0.7547984762   1.0989285477   2.3645951048
H   -0.8461327292  -2.0267720635   1.6946549476
H   -4.0774202829  -0.4872767913  -0.4926601356
H   -1.4384423797   3.6544355606  -0.5197001406
H   -0.7923926230   4.4598065301   0.9106187935
H    2.0404499043  -1.4344220860  -1.6634853496
H    2.8907484607  -0.0932837099   2.3209910641
H   -1.9326241291  -4.0063658856   0.1353451900
H    1.4959721951   3.4597143801   0.4339664850
H    1.9440813367   3.3545722016  -1.9553296087
H    0.1373713315   3.4005882375  -2.3175876280
*