! 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  -0.1350892884  -1.2047688594   2.1065589215
Cl   1.1835637183  -5.3297775963  -0.9964135506
O   -0.7566778002   0.9543502893   0.2429566329
O    0.4274600064   1.2524365287  -1.6369764611
N    1.4399219086   2.6267883306   0.6580127392
N    1.9002431462   3.5658364904  -0.1709495927
N    0.7015050067   4.4941941327   1.4764160177
C    0.4520218965   0.6413164242  -0.3837935065
C   -1.6023801493   1.6650529729  -0.6587934326
C   -0.9325564981   1.4111509558  -1.9979932858
C   -3.0282763221   1.1734740313  -0.5538479072
C    1.6319142346   1.2250153182   0.4038394893
C    0.6121878555  -0.8720521017  -0.5065368327
C   -3.6473698105   1.3928271729   0.8211565706
C    0.3713388118  -1.7555993619   0.5449206678
C    1.0542777162  -1.4177958761  -1.7076331083
C   -5.1013000437   0.9519050154   0.8798774874
C    0.5446941842  -3.1243925050   0.4026660482
C    1.2326992300  -2.7801837482  -1.8784911213
C    0.7192467838   3.1929061863   1.6294275431
C    0.9709514240  -3.6248908966  -0.8149062435
C    1.4382881950   4.6672342468   0.3608513641
H   -1.5640657619   2.7351013649  -0.4153772946
H   -1.3243920907   0.5101365254  -2.4863778888
H   -1.0168951318   2.2472363319  -2.6907237319
H   -3.0677293884   0.1117107811  -0.8189933910
H   -3.6170203523   1.7051448521  -1.3090470067
H    2.5581593344   1.0948034528  -0.1539603757
H    1.7485973089   0.7101899606   1.3558121311
H   -3.5763735370   2.4520548733   1.0872389250
H   -3.0703022967   0.8480914554   1.5722453781
H    1.2664873479  -0.7638826674  -2.5419974795
H   -5.5266038042   1.1173251970   1.8708352695
H   -5.7155406374   1.5019958151   0.1639045899
H   -5.2057833564  -0.1111244249   0.6531014475
H    0.3488683363  -3.7875301707   1.2338907897
H    1.5721035940  -3.1692885240  -2.8282960507
H    0.2456047727   2.6283826447   2.4166001462
H    1.6432426778   5.6362172157  -0.0674718279
*