! 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   0.0918638863  -0.1725351851  -2.1664001913
Cl   5.1786721343   0.3215840550  -0.7164988834
O   -1.4295920064  -0.8229275637   0.1800730099
O   -0.6730477580  -0.5608198756   2.2621540862
N   -1.3000802370   2.0724551735  -0.1744291408
N   -0.2960040769   2.8339055687  -0.6171332877
N   -1.9528771776   2.7678146017  -2.1210748042
C   -0.6227027031  -0.0137664227   0.9783680654
C   -1.6693305395  -2.0676515802   0.8374348599
C   -0.7889829273  -1.9620336302   2.0810640567
C   -3.1523975724  -2.2175853449   1.1340980280
C   -1.2335640842   1.3895049745   1.0886292483
C    0.8227625275   0.0351967983   0.4759320936
C   -3.5265248422  -3.6191816160   1.5992827994
C    1.2145966138  -0.0198296228  -0.8603972372
C    1.8301217029   0.2007878572   1.4251037219
C   -5.0096652418  -3.7445875135   1.9137526203
C    2.5511109551   0.0634203518  -1.2292573797
C    3.1676609836   0.2902991686   1.0840509130
C   -2.2781223348   2.0375698099  -1.0837337135
C    3.5168334880   0.2163281833  -0.2524447451
C   -0.7295699980   3.2259156415  -1.7874883925
H   -1.3338958719  -2.8797766307   0.1847068098
H   -1.2372907189  -2.3898587313   2.9774906138
H    0.1918759926  -2.4254770092   1.9299084536
H   -3.7153941323  -1.9790204319   0.2271027262
H   -3.4489957480  -1.4822423216   1.8903013312
H   -0.6522190149   2.0002179494   1.7784715428
H   -2.2447300737   1.2979374052   1.4867319726
H   -2.9476037423  -3.8921681557   2.4868485836
H   -3.2539140142  -4.3430290124   0.8256078242
H    1.5665184525   0.2595224875   2.4721677043
H   -5.6224946730  -3.5278448823   1.0365508324
H   -5.2625567741  -4.7511801781   2.2494346613
H   -5.3083808996  -3.0509140116   2.7023188836
H    2.8280018817   0.0133918876  -2.2731731306
H    3.9186079971   0.4164924245   1.8515351764
H   -3.1928895332   1.4839863208  -0.9422116327
H   -0.1456862449   3.8764104389  -2.4205689389
*