! 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   0.4312721439  -2.1061844408  -1.5474812030
Cl   2.3390578156   1.8622320288   1.5032121608
Cl   5.7006358883  -1.0847720671  -1.4724714801
O    0.2734099976   0.1327839146   0.3331357213
O   -3.8870128345  -0.1036974545  -1.1158532542
N   -2.4906624954  -0.5488361351   0.5974451875
N   -2.9829935598   1.6832608814  -0.0592837192
N   -2.1675825847   3.7307727851  -0.0304491889
C   -2.7256798550  -1.9828356119   0.4182810621
C   -1.6538069436  -0.1585617666   1.7177613296
C   -4.0806591056  -2.4639822137   0.9259085318
C   -0.1907365515  -0.5021843328   1.5234861150
C   -3.1355400330   0.2748349102  -0.2406984241
C   -4.3564700206  -2.1459540432   2.3872474888
C    1.5269726308  -0.1683270360  -0.0506789303
C   -4.0592301975   2.5389639733  -0.1402179412
C   -1.8655807218   2.4676353312  -0.0127308972
C    1.7682261390  -1.1988848623  -0.9548629053
C    2.6185684480   0.5654147019   0.4050945545
C   -3.5342041591   3.7895045320  -0.0999755670
C    3.0445577112  -1.4901603999  -1.4045468044
C    3.9073184804   0.2966777100  -0.0223124722
C    4.1016520479  -0.7361724206  -0.9240053563
H   -2.6124888606  -2.2399588916  -0.6342780661
H   -1.9336345346  -2.5096800729   0.9494675382
H   -1.9859351848  -0.6853717523   2.6142352164
H   -1.7744706231   0.8999171130   1.9348457949
H   -4.1022911009  -3.5464429375   0.7779560111
H   -4.8768869624  -2.0566014275   0.3020528544
H    0.3644819942  -0.1525794228   2.3984955063
H   -0.0447749197  -1.5836012647   1.4537312159
H   -4.4006452355  -1.0712917830   2.5725080275
H   -5.3184227133  -2.5585705129   2.6936314553
H   -3.5969135528  -2.5707538190   3.0466980280
H   -5.0750964802   2.1868570856  -0.1951832274
H   -0.8692425363   2.0600742310   0.0103372288
H   -4.0658587897   4.7278535781  -0.1165880960
H    3.2066814333  -2.2896599776  -2.1138725995
H    4.7391616310   0.8832152139   0.3414173142
*