! 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  -0.7440757029  -0.5649189395   2.4710750967
Cl   1.6598429951  -4.2381243632  -0.5426850978
O   -1.7811235151   1.4475130166   0.5334816903
O   -0.5375085433   1.9654049806  -1.2643805069
N    1.7899097233   2.1950648314   0.4915339748
N    2.2312329603   2.9479363331  -0.5180565518
N    3.8585974187   1.5992278136   0.2217793888
C   -0.4895095561   1.3905857563   0.0104745243
C   -2.6977486035   1.6055006804  -0.5476537629
C   -1.8588666245   2.4107663853  -1.5271364100
C   -3.1870726199   0.2789252600  -1.1081233010
C    0.4186464284   2.2327900528   0.9247195786
C    0.0294166939  -0.0422358008  -0.1064040100
C   -3.8593419527  -0.6180798092  -0.0771319365
C   -0.0451350488  -0.9652417988   0.9354393961
C    0.6493111242  -0.4614976561  -1.2803323518
C   -4.2318019412  -1.9759801862  -0.6520523077
C    0.4477157948  -2.2557353632   0.8097831910
C    1.1551027789  -1.7408279108  -1.4317048268
C    2.7687251354   1.3903026357   0.9171211351
C    1.0437043112  -2.6324113719  -0.3800918713
C    3.4739115916   2.5601186588  -0.6419942875
H   -3.5417392751   2.1843774166  -0.1657035583
H   -2.1001772828   2.2102456076  -2.5719929422
H   -1.9461126267   3.4873233298  -1.3506917494
H   -2.3604874721  -0.2580982429  -1.5854675007
H   -3.8976867986   0.5092552370  -1.9083903143
H    0.3769990004   1.8693784818   1.9499394009
H    0.0759765773   3.2674152766   0.9255453117
H   -4.7556511691  -0.1216779263   0.3076644180
H   -3.1974550520  -0.7607040034   0.7795582883
H    0.7401890744   0.2264781669  -2.1083570886
H   -4.8966132456  -1.8816031321  -1.5131438323
H   -3.3444599756  -2.5210199540  -0.9811089986
H   -4.7396952789  -2.5959423670   0.0880974634
H    0.3680235294  -2.9520558433   1.6331402620
H    1.6284575877  -2.0308475596  -2.3593430954
H    2.6451250658   0.6920311626   1.7306619979
H    4.1331286547   2.9923293615  -1.3788625010
*