! 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  -0.2944686839   0.9154614200  -2.3229964846
Cl   4.1330379560   1.2890017270   0.6180562502
N   -1.1923068857  -2.3145912258  -0.1787141826
N   -1.2124942167  -2.9284165201   1.0040779095
N    0.4669549029  -3.7101585600  -0.2523339971
C   -1.7721426118   0.0155693845   0.3715358846
C   -2.7163641608   1.1672785036   0.0130250919
C   -2.0914446673  -1.2243619989  -0.4711330881
C   -0.2997498932   0.3627937367   0.3593758271
C   -2.5349293317   2.3991461598   0.8898517421
C    0.4372834859   0.7622944568  -0.7547949309
C    0.4071389764   0.2586987906   1.5572064865
C   -3.5427527858   3.4899805692   0.5603162646
C    1.7930524308   1.0494900800  -0.6879141839
C    1.7587242756   0.5371037254   1.6617570850
C   -0.1811229931  -2.7802110714  -0.9132268722
C    2.4433585608   0.9342572492   0.5273064422
C   -0.2044797304  -3.7594410551   0.9134502230
H   -2.0001203899  -0.2582291569   1.4058621647
H   -2.6125425660   1.4446148377  -1.0376407161
H   -3.7407220440   0.7983636116   0.1276924072
H   -2.0282222977  -1.0244124644  -1.5386607710
H   -3.1109656194  -1.5490000278  -0.2629164957
H   -2.6321034356   2.1145343954   1.9422502575
H   -1.5223992194   2.7957951528   0.7741882385
H   -0.1245836129  -0.0549432145   2.4464245103
H   -4.5685972338   3.1368752504   0.6843909606
H   -3.4360507585   3.8309919026  -0.4715596396
H   -3.4151262439   4.3594431191   1.2065972960
H    2.3305974937   1.3566959763  -1.5743924330
H    2.2636669303   0.4413200910   2.6129297866
H    0.0339729996  -2.4250628582  -1.9091785996
H    0.0541790424  -4.4302581830   1.7182282892
*