! 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  -4.6331501239   1.6981297822   0.9268264986
F   -0.7012525234  -2.5556183406  -0.8011868117
F   -1.9582613887  -1.4547211402  -2.1492614342
F    0.0861522752  -0.8643085487  -1.8678079866
O    1.0654999487   1.7689186338   0.0268362097
N    2.8925246563  -1.2811399136   0.7131323421
N    0.6949036597  -0.8220943669   1.0082460777
N    4.0122189211  -3.0972777800   1.2668185102
C    1.8019510010  -0.4116727208   0.5770253833
C    2.1324784073   0.8922987760  -0.1004103748
C    1.2668016705   3.0150476448  -0.6189905476
C   -0.5262000047  -0.1724146249   0.9464040902
C    0.9302612559   2.9863810554  -2.0992473775
C   -1.4169708244  -0.4239773642  -0.1025670308
C   -0.9502602487   0.6258422676   2.0067848835
C   -2.6796593077   0.1565779629  -0.1085561005
C    4.1830269037  -1.1050652383   0.2534816607
C   -0.5379348918   2.7014049561  -2.3723681919
C    2.8582168425  -2.5097238988   1.3137497855
C   -1.0020857463  -1.3222705023  -1.2255043361
C   -2.2043665338   1.2017666178   2.0050831160
C   -3.0612635431   0.9709999967   0.9394606576
C    4.8483664573  -2.2320712881   0.6053770940
H    2.3900380162   0.6716850490  -1.1465458253
H    3.0404057614   1.3043314368   0.3627408481
H    2.2981755833   3.3590793225  -0.4679650395
H    0.6147267937   3.7262978447  -0.1060218012
H    1.2002913423   3.9629437272  -2.5109845900
H    1.5619241594   2.2604747011  -2.6201949814
H   -0.2813337390   0.8001903668   2.8387359770
H   -3.3669288067  -0.0214338914  -0.9237265528
H    4.5132875633  -0.2279926811  -0.2749063750
H   -0.7407643113   2.6607800086  -3.4432743490
H   -0.8512125680   1.7519044397  -1.9404409466
H   -1.1760613355   3.4780201310  -1.9457407031
H    1.9596090393  -2.8992120890   1.7628146002
H   -2.5090307863   1.8287304572   2.8321816929
H    5.8832745004  -2.4704445849   0.4174149918
*