! 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  -0.0764299288  -1.2872507773   2.1010154246
Cl   1.3414626538  -5.3101855944  -1.0911820619
O   -0.7990231326   0.8755739720   0.2780402862
O    0.3607605587   1.2512171304  -1.6080564425
N    1.3965099489   2.6401397114   0.6261371214
N    0.7863898925   3.0936777030   1.7231003540
N    1.2466712640   4.7837717869   0.3282736242
C    0.4136961647   0.6202176236  -0.3610299530
C   -1.6250354537   1.6868756560  -0.5504639741
C   -1.0010476596   1.4840582644  -1.9191510401
C   -3.0713375320   1.2582969954  -0.4481786883
C    1.5958941600   1.2333288590   0.4030864001
C    0.6250995607  -0.8837458133  -0.5135780180
C   -3.6657346659   1.4211156981   0.9452986702
C    0.4266106792  -1.7936240459   0.5240614495
C    1.0743902321  -1.3920102995  -1.7283839016
C   -5.1389236708   1.0462103604   0.9888835993
C    0.6425537602  -3.1532293164   0.3544531459
C    1.2989608765  -2.7442225625  -1.9251131936
C    1.6574865737   3.6571232563  -0.2005280783
C    1.0745324568  -3.6166370789  -0.8756207890
C    0.7220336781   4.3811803076   1.5036208195
H   -1.5318188133   2.7368099044  -0.2412721551
H   -1.4409098794   0.6275238800  -2.4448358123
H   -1.0699346988   2.3607785129  -2.5618704775
H   -3.1658694384   0.2182833881  -0.7773212663
H   -3.6429828557   1.8631107627  -1.1602714594
H    2.5115821835   1.0896197062  -0.1707015532
H    1.7331051988   0.7535244602   1.3695678475
H   -3.5420664896   2.4570886481   1.2754396059
H   -3.1100602338   0.8037642199   1.6551629806
H    1.2546344359  -0.7174089360  -2.5535078029
H   -5.5510369250   1.1651863081   1.9919086400
H   -5.7298613979   1.6706494462   0.3155601033
H   -5.2944149133   0.0067076342   0.6928218894
H    0.4761371140  -3.8374131500   1.1749798006
H    1.6439987581  -3.1033774865  -2.8845934417
H    2.1514393649   3.5320089115  -1.1509747638
H    0.2842219226   5.0590594464   2.2200951952
*