! 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   1.4986977965   1.7915968530   1.9463680946
Cl   4.5079342402  -0.5017810911  -1.8080486820
O   -1.8041542235  -0.7629098274   0.2403245706
O   -0.9484144585   0.0979776869   2.1002293187
N   -1.4052661620   1.8788169247  -1.0451486845
N   -0.3709731109   2.5771115334  -1.5197818642
N   -1.6537065494   1.8396894720  -3.1990013322
C   -0.9414198223   0.2289569287   0.7158912812
C   -1.8289061257  -1.8422755232   1.1800616576
C   -1.0016583595  -1.2941100883   2.3517659788
C   -3.2729006558  -2.1625075887   1.5271119962
C   -1.5304257620   1.5988668203   0.3610002182
C    0.4557183982   0.0400695467   0.1229378125
C   -3.4339799814  -3.4005857823   2.4060321112
C    1.5836694744   0.7036578692   0.6006507503
C    0.6274674066  -0.7889980831  -0.9807543160
C   -3.0516151320  -4.7069631717   1.7232485122
C    2.8310749381   0.5416867745   0.0184292172
C    1.8602142638  -0.9691692880  -1.5850628817
C   -2.1576335985   1.4373179206  -2.0578331258
C    2.9557319145  -0.2980728537  -1.0745835354
C   -0.5622437546   2.5305788486  -2.8125465881
H   -1.3358774161  -2.7120819874   0.7356409599
H   -1.4662248777  -1.4489269626   3.3257845090
H    0.0023143298  -1.7299575622   2.3786443872
H   -3.8354177400  -2.3065366320   0.5994428328
H   -3.7120415002  -1.2953364351   2.0304875727
H   -1.0215404949   2.3911928750   0.9047577372
H   -2.5833642751   1.6174354203   0.6429427248
H   -4.4787818081  -3.4582354764   2.7199088202
H   -2.8566175744  -3.2862682300   3.3288327946
H   -0.2241285485  -1.3128185918  -1.3908661407
H   -3.2385875037  -5.5577698928   2.3798565189
H   -3.6331539663  -4.8624990554   0.8124289366
H   -1.9961118154  -4.7425562881   1.4492585093
H    3.6897806240   1.0680097080   0.4115393801
H    1.9552572871  -1.6237109865  -2.4401853130
H   -3.0500224969   0.8481213717  -1.9171515398
H    0.1080833188   3.0177938325  -3.5036569969
*