! 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   0.1351140021  -1.7652150946  -1.8627076436
Cl   4.8254038009   0.2623134991  -0.3498299484
O   -1.7000688313  -1.2526510409   0.3855549105
O   -1.5202609785   0.5913845449   1.6029742738
N   -1.3717428901   2.1584092619  -0.8499360182
N   -0.4045803593   2.4565798435  -1.7201556737
N   -0.9298711718   4.2500237979  -0.4881917807
C   -1.1764740377   0.0321905036   0.3694665608
C   -1.6033307380  -1.7430129007   1.7187609772
C   -1.4735022866  -0.4582883475   2.5580885565
C   -2.8283065554  -2.5726501700   2.0424256333
C   -1.8877947948   0.8200204333  -0.7335537187
C    0.3412516382   0.0401729629   0.1828490542
C   -3.0537843341  -3.7630670990   1.1143760092
C    0.9962779799  -0.7156215807  -0.7872031438
C    1.1241479494   0.8781321557   0.9705213901
C   -1.9071758441  -4.7644018411   1.0926303834
C    2.3713767512  -0.6554817844  -0.9566615507
C    2.4983348452   0.9592015822   0.8246211703
C   -1.6712608784   3.2347720479  -0.1173742519
C    3.1112835478   0.1843873458  -0.1430919091
C   -0.1733815534   3.7188160997  -1.4694926206
H   -0.6957985400  -2.3484322010   1.8212679849
H   -2.2991484722  -0.3202315960   3.2583103837
H   -0.5373119680  -0.4396604385   3.1229606245
H   -3.7091424115  -1.9227589324   2.0290839960
H   -2.7216181033  -2.9274363285   3.0724258891
H   -2.9538289100   0.8628073647  -0.5088635742
H   -1.7654252183   0.3286124459  -1.6961547664
H   -3.2483221853  -3.4077706397   0.0993169433
H   -3.9681922292  -4.2694938678   1.4344597049
H    0.6531571465   1.4950025594   1.7230072601
H   -1.6534217678  -5.1049200740   2.0991991167
H   -2.1706479927  -5.6463764182   0.5072410000
H   -1.0033443540  -4.3445618880   0.6472158489
H    2.8542166950  -1.2546035740  -1.7163328555
H    3.0739238680   1.6198564885   1.4577291927
H   -2.4267968601   3.2333989563   0.6521083216
H    0.5654952119   4.2816500143  -2.0185645024
*