! 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   0.1984290052   0.9533470051  -1.8023107894
Cl   4.2295682187  -2.3452131238  -0.7603020760
O   -1.9963327872   0.2481505630  -0.0640701991
O   -1.7764421052  -1.0545330899   1.7130073147
N   -0.2551639101   2.2268102928   1.2293153243
N    1.0750610737   2.3334390280   1.2181633901
N    0.1448883182   4.0267443748   0.0890540780
C   -1.1155848737  -0.0806380707   0.9537124983
C   -2.6341164042  -0.9583102516  -0.4630139164
C   -2.5830746428  -1.8091645003   0.8192864259
C   -0.9206282565   1.1276000065   1.8733680929
C    0.2177691699  -0.6331315870   0.4407976553
C   -4.0285813623  -0.6581611887  -0.9710964449
C   -4.7235664325  -1.9102230707  -1.4847836608
C    0.8570944540  -0.2334658061  -0.7310816577
C    0.8767757345  -1.5726757785   1.2315981495
C    2.0862140746  -0.7603889991  -1.1059335469
C    2.1038386816  -2.1075960050   0.8859314684
C   -0.7957986080   3.2405831897   0.5483201366
C    2.6989721973  -1.6933159875  -0.2923074113
C    1.2692768782   3.4236371312   0.5232523425
H   -2.0516536089  -1.4383552579  -1.2602118538
H   -3.5661576738  -1.9407689629   1.2767967631
H   -2.1523837247  -2.7967690877   0.6381967236
H   -0.3362948263   0.8385308768   2.7457091229
H   -1.8979435095   1.4667071667   2.2173362439
H   -3.9633388261   0.0776508714  -1.7763576173
H   -4.6154037476  -0.2041934420  -0.1674129901
H   -4.8466305132  -2.6632759107  -0.7038927228
H   -5.7185563170  -1.6722686442  -1.8605857960
H   -4.1660978809  -2.3703652756  -2.3024379789
H    0.4165428729  -1.9032967586   2.1524961766
H    2.5569509319  -0.4375471227  -2.0237850807
H    2.5829162617  -2.8338064585   1.5269724323
H   -1.8595265313   3.3659151682   0.4255682737
H    2.2585770774   3.8055629293   0.3276303794
*