! 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  -1.2054395459   1.7165560914  -0.9953731211
Cl  -5.8204003811  -0.7594882362   0.4121580852
O    0.0271803885  -0.6341733873   0.2139070861
O    2.8208866838  -0.7494617800  -1.9383774899
N    2.5177130201   0.0134601544   0.1893429871
C    0.6768042513  -1.0600364846  -0.9839441392
C   -1.3290270879  -0.6647137499   0.2247397398
C    2.1202374606  -0.5687577547  -0.9579935180
C    0.6449881494  -2.5706409237  -1.1372182250
C   -3.4658631600   0.4108679420  -0.2904666418
C   -2.0690957322   0.3846060498  -0.3123290305
C   -1.9946023518  -1.7242143256   0.8189935586
C    3.7806514847   0.4982601706   0.5475829423
C   -4.0906337134  -0.6807699579   0.3143958263
C   -3.3751987202  -1.7312199089   0.8679771023
C   -4.2087878498   1.5658707987  -0.8842705755
C    3.9031964194   1.0114963463   1.8412237106
C    4.8964886228   0.4918929008  -0.2899324014
C    5.1140471738   1.5059471105   2.2921024989
C    6.1050465933   0.9913958855   0.1779846101
C    6.2273880826   1.4990211795   1.4620743092
H    0.2034977189  -0.5967121357  -1.8563275607
H    1.1385143925  -3.0672657849  -0.3009014425
H    1.1468627304  -2.8625230634  -2.0582427981
H   -0.3809394087  -2.9332172372  -1.2023157462
H    1.8075980434   0.1043898185   0.9020154362
H   -1.4292578725  -2.5369275406   1.2555860359
H   -3.8927022924  -2.5577065083   1.3346506704
H   -3.9805593848   2.4917812879  -0.3541799757
H   -5.2847322695   1.4242721626  -0.8468649852
H   -3.9328604837   1.7140417317  -1.9287197500
H    3.0424424986   1.0202531681   2.5001714325
H    4.8374285667   0.1059282290  -1.2942645666
H    5.1854301964   1.8968528895   3.2988284147
H    6.9630763819   0.9795602378  -0.4819475978
H    7.1757210404   1.8841281971   1.8126734837
*