! 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   0.0926417476  -0.8256058713  -2.5427496405
Cl   4.5361199176  -1.7053764381   0.2652801186
O   -2.0918171455  -0.8217097904  -0.5383478761
O   -1.7462792222   0.1106771203   1.4702951980
N   -0.3951094568   2.3561965781   0.1226851874
N    0.7794280660   2.5790297237  -0.4701938946
N    0.6760265214   3.6544997591   1.4891046094
C   -1.2522209046   0.0464606241   0.1672896817
C   -2.9983691173  -1.4571927607   0.3639151170
C   -2.3912213521  -1.1280953569   1.7197899767
C   -1.3566834955   1.4480906043  -0.4479730230
C    0.1922875701  -0.4522849851   0.1633265652
C   -4.4114312958  -0.9300303960   0.1859049730
C   -4.9402271288  -1.0763217300  -1.2313982889
C    0.8661220038  -0.8365978935  -0.9935095408
C    0.9168987325  -0.4619320581   1.3507797287
C    2.1963823671  -1.2264132396  -0.9721646832
C    2.2455440939  -0.8468578814   1.4040352283
C   -0.4416500698   2.9981428938   1.2922620201
C    2.8753887153  -1.2271559978   0.2333582925
C    1.3847821013   3.3652390704   0.3800845005
H   -2.9751950390  -2.5327392851   0.1661838180
H   -3.1277706202  -0.9837697090   2.5097816389
H   -1.6761086668  -1.8918064843   2.0445644550
H   -2.3627022251   1.8359733224  -0.2852452586
H   -1.1807258700   1.4105173601  -1.5197507206
H   -4.4586887334   0.1183245085   0.4977612760
H   -5.0551943379  -1.4838847793   0.8753277282
H   -4.3546749499  -0.4955322827  -1.9436651184
H   -4.9252675529  -2.1173224984  -1.5592756339
H   -5.9719290910  -0.7288164683  -1.2964408712
H    0.4399911433  -0.1548677517   2.2707238056
H    2.6936940562  -1.5200115107  -1.8860334853
H    2.7743800854  -0.8412695145   2.3468151046
H   -1.2954897196   2.9652816692   1.9497874117
H    2.3770464645   3.7457356780   0.1950715692
*