! 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 "WATER"
end
*xyz 0 1
Cl  -5.1283352324  -0.5011769389   0.7576246970
O    0.6818073326  -0.0883990994   0.2232322784
O    5.4038706652  -0.0707988351  -1.9309729509
O    5.0418546355   1.6842655742  -0.6024491124
C    2.9326285457  -0.7503422604  -0.1546300531
C    1.4918531571  -1.2066497726  -0.1057313376
C    3.1816472723   0.3050450231  -1.2382402342
C   -0.6522531923  -0.2510630042   0.3257359959
C   -1.3830357278   0.9020810655   0.6552430027
C   -1.3045901558  -1.4625998186   0.1292925903
C   -2.7591818440   0.8003425830   0.7828280623
C   -0.6864667296   2.2121232829   0.8607288978
C   -2.6855440658  -1.5466311133   0.2596613398
C    4.6192856528   0.7339973480  -1.2206029427
C   -3.4027232194  -0.4142715036   0.5867986874
H    3.5425208515  -1.6349829253  -0.3475680747
H    3.2296049480  -0.3663990678   0.8238933887
H    1.3815787984  -1.9919251075   0.6490867497
H    1.1917158424  -1.6254384210  -1.0725157985
H    2.5640991697   1.1841729750  -1.0599401640
H    2.9201503780  -0.1043474029  -2.2155368209
H   -0.7599753475  -2.3605892577  -0.1267708821
H   -3.3322075150   1.6824238046   1.0383977576
H   -0.1689025317   2.5390396713  -0.0428369212
H   -1.3987118142   2.9889944385   1.1334576204
H    0.0610680567   2.1540462617   1.6532367658
H   -3.1800884681  -2.4952949007   0.1041431665
H    6.3276145121   0.2147278691  -1.8565152851
*
