! 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   1.9518654254  -0.2384285091   2.0458801388
Cl   2.8786561454   4.5518128961  -0.0874870597
O   -1.4872295017  -0.3739761084  -0.8682519576
O   -0.7455174431  -0.9875710722   1.1603672699
N   -0.2277285312  -2.9170508036  -0.8332277656
N   -0.9305589476  -3.2280895044  -1.9253917152
N   -1.2343950765  -4.7720107133  -0.3308703423
C   -0.3320981096  -0.5743886008  -0.1071564209
C   -2.6417781052  -0.6915588313  -0.0923009633
C   -2.1004582893  -0.6105478503   1.3232126465
C    0.5154231056  -1.6891843781  -0.7375435923
C    0.4820627851   0.7164352422  -0.0608219024
C   -3.7986990400   0.2271233440  -0.4362118920
C   -3.5815925992   1.7097312561  -0.1748858391
C    1.5080524171   0.9400902908   0.8561825448
C    0.2438477043   1.7146839775  -1.0015089712
C    2.2456231495   2.1153527032   0.8570405255
C    0.9663482902   2.8950752749  -1.0261837739
C   -0.4227822473  -3.8424538732   0.1112693022
C    1.9629296683   3.0867468864  -0.0860699011
C   -1.5146902098  -4.3465910684  -1.5798753435
H   -2.9470341904  -1.7219983869  -0.3133045093
H   -2.1772933861   0.3946468422   1.7517320546
H   -2.5806364224  -1.3138904707   2.0029032569
H    1.4152220547  -1.8673546822  -0.1503472729
H    0.8278957579  -1.3990615377  -1.7395275514
H   -4.0522445907   0.0719689334  -1.4878620510
H   -4.6649719896  -0.1264526943   0.1299627259
H   -3.4675956787   1.9348366150   0.8860147978
H   -2.7025227984   2.0945862254  -0.6924960579
H   -4.4410411749   2.2802293404  -0.5293039161
H   -0.5278246800   1.5737113968  -1.7443298332
H    3.0309588462   2.2645313255   1.5848706138
H    0.7492322412   3.6482507704  -1.7706481894
H    0.0463333111  -3.8028251753   1.0820592735
H   -2.1630422308  -4.8814255278  -2.2568282754
*