! 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  -1.2560131878   0.8480778861   2.0529338800
Cl  -5.3537971690  -0.5944765661  -1.0612087743
O    2.7698203632   2.4035356902  -0.1074499203
N    1.1865573964  -0.7147449424   0.8757708138
N    1.7159303729  -0.8457476381   2.0981935975
N    0.5422720512  -2.6719083628   1.5581805876
C    3.7466934051   0.3792486075  -0.9174390127
C    2.7969719627   1.0203236662   0.1257324643
C    5.1477150602   0.9568940732  -0.6964813154
C    3.2942125381   0.6730983551  -2.3469245711
C    3.8133920519  -1.1354053752  -0.7150901506
C    1.3886917511   0.4537789421   0.1112053771
C    0.3952025362   1.0112464640  -0.5796652234
C   -1.0141404391   0.5969597293  -0.6408756486
C    0.4884503811  -1.8201822846   0.5687276643
C   -1.8505919220   0.4919019703   0.4708551981
C   -1.5794745049   0.3403775431  -1.8907023372
C    1.3007700599  -2.0262337189   2.4691870405
C   -3.1824504410   0.1247175074   0.3521909783
C   -2.9032739781  -0.0306237442  -2.0382450645
C   -3.6949866093  -0.1379225793  -0.9062689740
H    3.2207062786   0.8060404534   1.1164096632
H    5.8639364822   0.4851355048  -1.3722018169
H    5.1870969891   2.0310568148  -0.8774256379
H    5.4970062159   0.7771985338   0.3230118652
H    3.9865098699   0.2167536118  -3.0576394483
H    3.2681509452   1.7416265651  -2.5644240674
H    2.3051575870   0.2623688840  -2.5582911115
H    4.5965443640  -1.5585392710  -1.3473479952
H    2.8863432327  -1.6391875619  -0.9925954470
H    4.0512051449  -1.4061662945   0.3162433700
H    0.6556642555   1.8546295028  -1.2081450444
H    2.3224597262   2.8302726646   0.6304419756
H   -0.0063258925  -1.9651537726  -0.3783678133
H   -0.9570964798   0.4255844173  -2.7725755220
H    1.5549072227  -2.4430333320   3.4311062399
H   -3.8093226170   0.0535838174   1.2303050793
H   -3.3077722745  -0.2308082429  -3.0207663994
*