! 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  -0.1754636535  -0.5142796375  -2.1098185754
Cl   4.0576835162  -2.2334055108   0.6575816098
O   -0.5595977416   2.5710939325   0.9488541446
N   -2.3245132638  -0.5930376549   0.5754401382
N   -3.3249306221  -2.0815459123  -0.7047078084
C   -0.7927551012   1.3331917802   0.3246239850
C   -1.9494975562   0.6950455294   1.1031067937
C    0.4370092367   0.4519754097   0.3581292005
C    0.7831953890  -0.4166749045  -0.6713384649
C    1.2484483081   0.4565844532   1.4901218011
C   -1.7641452713  -1.8041848769   0.8775577982
C   -3.2496752574  -0.8183632979  -0.3847051551
C    0.2313765923   3.4649358835   0.1988909209
C    1.8936677870  -1.2445995067  -0.5941778690
C    2.3598476171  -0.3595422473   1.5997898014
C    2.6726211763  -1.2056979492   0.5479366686
C   -2.3976354200  -2.7087039961   0.0778220596
C   -0.5114154402   4.1922549984  -0.8770191744
C   -1.8255551958   4.2031924250  -1.0567278558
H   -1.1130142726   1.4802229899  -0.7132367623
H   -1.6771198247   0.5837776381   2.1537263321
H   -2.8184355465   1.3525221355   1.0607438749
H    1.0083415962   1.1190321359   2.3119391296
H   -0.9933560637  -1.9168153865   1.6218897966
H   -3.8443757715  -0.0197764914  -0.8028103867
H    0.6401000951   4.1924714705   0.9069490279
H    1.1022253503   2.9597416641  -0.2396473960
H    2.1415238192  -1.9071124097  -1.4119582817
H    2.9700975448  -0.3341005359   2.4919128311
H   -2.2376500333  -3.7748979095   0.0303959933
H    0.1252918997   4.7666659762  -1.5437294384
H   -2.2691381452   4.7710643409  -1.8642045510
H   -2.5121391056   3.6597122921  -0.4189243822
*