! 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  -0.7679510806  -0.4544240883   2.4811003868
Cl  -5.2988471937  -0.8966403418  -0.3599384546
O    0.8884154424  -2.1882529087  -0.4263446196
N    1.4687060814  -0.9606096223  -0.3010883287
N    4.7501772904   1.3818442911   0.8713323965
C    1.1002033431   1.3885448117  -0.0172743075
C    0.6219239127  -0.0258813438  -0.1778941557
C   -0.8446996702  -0.2461858598  -0.2067761744
C    2.5842202503   1.5546014253  -0.1445000088
C   -1.5801883139  -0.4463794874   0.9533523259
C   -1.5198933829  -0.2560074529  -1.4219118966
C    3.1719297278   1.9797756043  -1.3271837363
C    3.4311130342   1.2684883544   0.9214622882
C   -2.9512886827  -0.6434942559   0.9250152388
C   -2.8883898677  -0.4542936884  -1.4832882751
C   -3.5899896013  -0.6466767898  -0.3040431888
C    4.5512055960   2.1051788485  -1.3930544928
C    5.2961102467   1.7924036699  -0.2684899273
C    1.8828233117  -3.1778100724  -0.5918835021
H    0.5870851606   2.0089561443  -0.7574212656
H    0.7551939653   1.7561316818   0.9549493988
H   -0.9649429635  -0.1075714541  -2.3391927359
H    2.5588535132   2.2169216992  -2.1884958222
H    3.0137553689   0.9329714711   1.8663206678
H   -3.5063944118  -0.7956855826   1.8401437262
H   -3.3955295129  -0.4618282729  -2.4378918988
H    5.0398639675   2.4396340997  -2.2980890371
H    6.3767080395   1.8795036175  -0.2849830460
H    2.5284241217  -3.2620532852   0.2860850952
H    2.5023450279  -2.9922109160  -1.4727872466
H    1.3532776737  -4.1193240932  -0.7289805827
*