! 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  -0.5796169933  -1.0709144604  -2.7315126225
Cl  -4.2392004658   1.1736814630   0.4768038854
O    0.5231620432  -3.1543063934   0.6074449904
N    1.5446104649  -2.4109735381   0.0990802680
N    1.6902153885   3.2161012298   0.3016071335
C    2.2362223051  -0.3313606770  -0.8257368379
C    1.1878284070  -1.2471270978  -0.2587451985
C   -0.1809772762  -0.7029119534  -0.0851787676
C    2.3420931809   0.9283455972  -0.0108529701
C   -1.0512067515  -0.5391891889  -1.1546127573
C   -0.6046738543  -0.2832106199   1.1723524209
C    3.0607511532   0.9692506277   1.1773949908
C    1.6750003601   2.0867776994  -0.3931912403
C   -2.3027988577   0.0359508923  -0.9985785065
C   -1.8478170458   0.2935446821   1.3596114734
C   -2.6849710082   0.4494361738   0.2658297656
C    3.0878302702   2.1440171150   1.9108183001
C    2.3847780875   3.2390248640   1.4319263783
C    1.0063550717  -4.4139498342   1.0323637838
H    3.1906523464  -0.8587679509  -0.8512700969
H    1.9814821613  -0.0793983540  -1.8583252106
H    0.0561375291  -0.3982542004   2.0214991162
H    3.5947058945   0.0925436071   1.5250242020
H    1.1000244082   2.0984470863  -1.3147531203
H   -2.9632989837   0.1557072975  -1.8460076756
H   -2.1550846184   0.6180471036   2.3439723110
H    3.6422301207   2.2133678806   2.8368357139
H    2.3849339436   4.1733554795   1.9820836688
H    1.4208273538  -4.9932568156   0.2037500800
H    0.1477847490  -4.9467494610   1.4381347871
H    1.7625786503  -4.3177940700   1.8151088596
*