! 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   0.5728865588  -0.0239797177   2.9601915078
Cl   3.7842319354   2.7944489231  -0.2207537517
O   -1.9685915794  -0.4788779047  -0.7389525713
O   -1.9833719771  -0.2116553517   1.4787828828
N    0.0057661213  -2.5668529191  -0.4657573653
N    1.3356822056  -2.5878123053  -0.3490230977
N    0.7168219527  -3.2602024837  -2.3929016572
C   -1.1803529729  -0.6053631524   0.4125935906
C   -3.0928903732   0.3588110162  -0.4585891864
C   -2.8279519471   0.8064393306   0.9764789348
C   -0.8311154927  -2.0857601074   0.6023628865
C    0.0719716868   0.2624106264   0.2845714875
C   -3.2075357851   1.4899322849  -1.4597483574
C   -4.4487798892   2.3347135211  -1.2086397136
C    0.8990755417   0.5651713577   1.3645933868
C    0.4527086143   0.7504030379  -0.9612169464
C    2.0365710091   1.3450146947   1.2198840615
C    1.5873405937   1.5236525947  -1.1377930001
C   -0.3497480411  -2.9639984124  -1.6910858010
C    2.3689166705   1.8206501741  -0.0361810664
C    1.7193835684  -3.0112360489  -1.5253083399
H   -3.9958147151  -0.2613583947  -0.5040467232
H   -2.3328673871   1.7856176364   1.0123207578
H   -3.7238872964   0.8495184989   1.5937577439
H   -1.7536790515  -2.6668956377   0.6275959145
H   -0.3049777635  -2.2494227231   1.5405010278
H   -2.3127588759   2.1173725138  -1.4106131851
H   -3.2485798646   1.0728998034  -2.4689320882
H   -4.4221045345   2.8252527184  -0.2334757890
H   -4.5411410658   3.1191394966  -1.9599951847
H   -5.3581562001   1.7320290690  -1.2506795278
H   -0.1505002969   0.5231480911  -1.8281693127
H    2.6533346798   1.5737638785   2.0779127164
H    1.8495398553   1.8864821684  -2.1218604780
H   -1.3763188444  -3.0286163426  -2.0161245619
H    2.7620172317  -3.1514179443  -1.7674711189
*