! 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   0.0730775892  -0.5861004111  -1.9890659646
Cl   5.1696054253   0.5382542115  -0.9901832003
O   -1.2219060653  -1.0414038781   0.5306631454
O   -0.3839192029  -0.3851540131   2.4993993857
N   -1.4205784972   1.7688547181  -0.2479728783
N   -0.5354292525   2.5465265286  -0.8760799779
N   -2.2662627007   2.0857648300  -2.2189624910
C   -0.4624225395  -0.0459584436   1.1463056247
C   -1.4087675122  -2.1345831684   1.4295290617
C   -0.4348664171  -1.8008797505   2.5524597563
C   -2.8557094937  -2.2248599033   1.8843065197
C   -1.2014336769   1.2996927282   1.0926250714
C    0.9386537241   0.0551207924   0.5390398807
C   -3.8493351622  -2.3898586773   0.7423572092
C    1.2539802040  -0.1554660344  -0.8021045417
C    1.9801128051   0.4383622737   1.3822157732
C   -5.2856319470  -2.4901013226   1.2325030986
C    2.5524090191  -0.0121953746  -1.2739230605
C    3.2806271615   0.5918241317   0.9372886172
C   -2.4445457624   1.4986132710  -1.0623849630
C    3.5553009621   0.3589731277  -0.3983362734
C   -1.0822553005   2.7088035574  -2.0530191847
H   -1.1218608144  -3.0558454499   0.9140810997
H   -0.7819143714  -2.1008874611   3.5407616405
H    0.5539285862  -2.2403414243   2.3810900236
H   -3.1113479846  -1.3407808987   2.4795600000
H   -2.9345893506  -3.0825276257   2.5604116765
H   -0.6382091704   2.0598513427   1.6323092621
H   -2.1693697221   1.1855897563   1.5814998199
H   -3.5959080321  -3.2856506745   0.1666706872
H   -3.7607255183  -1.5484279893   0.0508978759
H    1.7744588003   0.6220093333   2.4276745883
H   -5.4244924893  -3.3456090052   1.8963113382
H   -5.5813125602  -1.5954875003   1.7842844637
H   -5.9817232387  -2.6049937396   0.4007494004
H    2.7709474947  -0.1850732089  -2.3185823491
H    4.0607579073   0.8882804572   1.6245583656
H   -3.2842679226   0.8887187440  -0.7692696182
H   -0.6136781309   3.3053814627  -2.8203555132
*