! 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   0.5130740828   0.4186833726  -2.4145908799
Cl  -2.7834899927   3.5480068899   0.3328858272
O    1.2248076631  -1.5574399181   1.6929714726
N   -0.8521364391  -2.5512667282  -0.0371517226
N   -1.8546947113  -2.0651035553  -0.7722496737
N   -2.6491382850  -3.0919200504   1.0508227200
C    1.1191359851  -1.1058685918   0.3606891360
C    2.5264594637  -0.8126513478  -0.1857088331
C    0.5207940790  -2.2989890023  -0.4001488083
C    3.1726753167   0.4569257942   0.3572738334
C    0.1613413464   0.0921711115   0.2951678941
C    4.5949738910   0.6383540712  -0.1584258082
C   -0.1608974989   0.8047501778  -0.8613704300
C   -0.4957254272   0.4909416386   1.4578955984
C    5.2522995287   1.9086221601   0.3575479347
C   -1.0563013981   1.8636362389  -0.8585427747
C   -1.3975461268   1.5409364371   1.4939089268
C   -1.3386038102  -3.1525148343   1.0511828010
C   -1.6683372675   2.2272126169   0.3265599363
C   -2.9104985970  -2.4151742154  -0.0848962324
H    2.5139863813  -0.7658590082  -1.2736060383
H    3.1478138039  -1.6772384545   0.0690134338
H    1.1146672365  -3.1885679186  -0.1874354381
H    0.5459349008  -2.1372089610  -1.4740532216
H    2.5754801691   1.3293056296   0.0763137986
H    3.1966484709   0.4481336238   1.4536323849
H    4.5800891434   0.6535268819  -1.2525297350
H    5.1990186912  -0.2287771658   0.1250258668
H    1.7776675599  -0.9512661848   2.1987463343
H   -0.3145017912  -0.0419495270   2.3792768345
H    5.3238096895   1.9068188285   1.4472123628
H    6.2635198891   2.0224581382  -0.0362699180
H    4.6859390461   2.7959286316   0.0671743013
H   -1.2757133654   2.3917349251  -1.7760471894
H   -1.8787967547   1.8074443069   2.4246988358
H   -0.7150629393  -3.6195052430   1.7968635078
H   -3.9096112385  -2.1782834247  -0.4174866087
*