! 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  -0.3329113146   0.5594980564  -2.3399484442
Cl  -1.6109892068   5.0570639928   0.1726956151
O    0.0519376633  -1.0285598041   1.9646509342
N   -0.8130816199  -3.0771950220   0.0153910822
N   -0.4846957462  -3.6910155194   1.1562633077
N   -0.3700014399  -5.1234185839  -0.5530827981
C   -0.0294086150  -0.7890493944   0.5778914753
C    1.3405011707  -1.0869770005  -0.0603711890
C   -1.1538070802  -1.6722878531  -0.0090914442
C    2.4416218408  -0.1212724036   0.3599758871
C   -0.4404508627   0.6757579692   0.4163438871
C    3.8104404183  -0.5567201003  -0.1490326059
C   -0.5901267547   1.3376787445  -0.8054860207
C   -0.6798751505   1.4423283007   1.5574534333
C    4.9265119727   0.3773389785   0.2919347008
C   -0.9510454981   2.6750143465  -0.8890831105
C   -1.0370971020   2.7785525056   1.5053101987
C   -0.7356986627  -3.9423645150  -0.9951941621
C   -1.1701125507   3.3894238754   0.2731926682
C   -0.2248117986  -4.9149653728   0.7668623437
H    1.2693221511  -1.1126482725  -1.1479638401
H    1.6319721311  -2.0988160100   0.2398536595
H   -1.3727212465  -1.4240443825  -1.0437728682
H   -2.0673572099  -1.5191545908   0.5679666813
H    2.2262642055   0.8843680269  -0.0141611522
H    2.4682082357  -0.0447894402   1.4507617079
H    3.7914242921  -0.6133284315  -1.2418740534
H    4.0242520726  -1.5704897494   0.2035151008
H    0.1180541228  -1.9869210663   2.0990361209
H   -0.5807046220   0.9867920906   2.5302436779
H    5.0023631800   0.4193623848   1.3804636557
H    5.8949079872   0.0512029632  -0.0908318112
H    4.7600405670   1.3959695622  -0.0644747945
H   -1.0549451704   3.1484775396  -1.8552980620
H   -1.2052783070   3.3277535796   2.4212203606
H   -0.9559591364  -3.6744216003  -2.0167180707
H    0.0769504114  -5.6825226704   1.4623029380
*