! 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   0.7642747469   2.1576971430   1.0650291320
Cl   5.0118457207  -0.1898193320  -1.0997156116
O   -1.2665318889  -1.7875705699   0.2565548189
O   -1.3064073933   0.1600424331   1.3315629166
N   -1.4806912366   1.5291297086  -1.2619625614
N   -0.5013857992   1.9399422114  -2.0710231290
N   -1.5859747697   3.6937671086  -1.1990669699
C   -0.9074292595  -0.4376406414   0.1449741819
C   -1.4036448559  -2.1237772884   1.6404171568
C   -1.0720788211  -0.8040839809   2.3410451859
C   -2.8063876768  -2.6315269986   1.9160541477
C   -1.7271928606   0.1342769992  -1.0165826663
C    0.5990479511  -0.3228494338  -0.1063585056
C   -3.1797879987  -3.8718281055   1.1142655538
C    1.3905111392   0.7689825891   0.2457472782
C    1.2259419509  -1.3647055656  -0.7874909575
C   -4.5735768664  -4.3801943624   1.4494299424
C    2.7468159879   0.8109178723  -0.0505102434
C    2.5719050005  -1.3438818395  -1.1046759783
C   -2.1159149739   2.5851629650  -0.7459810848
C    3.3253413785  -0.2470816155  -0.7256817629
C   -0.5998258191   3.2423004190  -1.9996396336
H   -0.6699252090  -2.8960956003   1.8923195969
H   -1.7206969474  -0.5864199496   3.1893297402
H   -0.0323570193  -0.7760464373   2.6855533214
H   -3.5278823782  -1.8288524500   1.7263001183
H   -2.8704826609  -2.8584604650   2.9851590458
H   -2.7858870309   0.0057911435  -0.7894334741
H   -1.5094185431  -0.4179814316  -1.9296696399
H   -2.4472957702  -4.6620256379   1.3073243023
H   -3.1217989165  -3.6533817959   0.0452203747
H    0.6470677718  -2.2282742635  -1.0840787775
H   -5.3337221525  -3.6233941127   1.2446734637
H   -4.8265575376  -5.2639183376   0.8617913047
H   -4.6576342261  -4.6525994756   2.5034760630
H    3.3389570180   1.6669993929   0.2418889183
H    3.0193734859  -2.1724038836  -1.6357125547
H   -2.9484792998   2.4958101313  -0.0660008533
H    0.0590922173   3.8927792386  -2.5537812930
*