! 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  -0.2132722616   1.1323924583  -2.5289244674
Cl   3.8301184000   2.5986809294   0.6121068033
O   -2.2983017274   0.1054031552  -0.7182344920
O   -1.7061681282  -0.9812026250   1.1583269465
N    0.1320774890  -2.6045170725  -0.4646115918
N   -0.0114559710  -3.4499309635   0.5575500165
N    2.1332960137  -3.3485774897  -0.0791334007
C   -1.2562737453  -0.5939023279  -0.1075248963
C   -3.2455767128   0.4828866936   0.2763633842
C   -3.0778777308  -0.6423474421   1.2843881179
C   -0.9722917949  -1.8346908175  -0.9737817457
C    0.0039247660   0.2523056668   0.0560842765
C   -2.9768386982   1.8752292828   0.8281007158
C   -4.1257096422   2.3768154433   1.6898503205
C    0.5351846512   1.0320121505  -0.9694249449
C    0.7107410629   0.2144654329   1.2551332880
C    1.7053081941   1.7597585816  -0.8061216718
C    1.8833062190   0.9249831447   1.4437008995
C    1.4161826181  -2.5490295091  -0.8291770393
C    2.3696670934   1.6988138738   0.4052921208
C    1.2106907801  -3.8731619021   0.7514435598
H   -4.2317004648   0.4571487799  -0.1942726290
H   -3.2703498958  -0.3470936424   2.3166350800
H   -3.7163540141  -1.4994804310   1.0467208417
H   -0.7386179664  -1.5408674255  -1.9960785318
H   -1.8583566732  -2.4693477786  -1.0059097784
H   -2.0481367953   1.8823489552   1.4066330881
H   -2.8264122327   2.5563938886  -0.0131224944
H   -5.0583051969   2.4222157555   1.1242461374
H   -4.2982778647   1.7388317253   2.5584547043
H   -3.9202578947   3.3796609578   2.0644120860
H    0.3426370430  -0.3880175071   2.0728825602
H    2.0895603291   2.3625508667  -1.6173471593
H    2.4050079722   0.8690015207   2.3888275114
H    1.7714960377  -1.9312632942  -1.6395693968
H    1.4470392003  -4.5947935367   1.5181258124
*