! 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  -0.3735981855   1.0302072016  -2.4742804229
Cl   3.6851965820   2.5384737122   0.6268099852
O   -2.4049924445  -0.0718696697  -0.6397585215
O   -1.7980890541  -1.1746606283   1.1875814274
N    0.1599532302  -2.6600425396  -0.4877500609
N    1.3345455772  -2.4076285839  -1.0723429870
N    1.6253171214  -3.6668001371   0.7622731409
C   -1.3361514419  -0.7608790218  -0.0660558611
C   -3.1364182493   0.5681766012   0.4065161836
C   -2.6089470935  -0.1177456952   1.6779096248
C   -1.0486838053  -2.0023126692  -0.9155811835
C   -0.0885727775   0.1102383585   0.0845036255
C   -2.9455271871   2.0737815010   0.4042768071
C   -3.8243996002   2.7458113773   1.4492570670
C    0.4048924922   0.9235700998  -0.9325145256
C    0.6458649555   0.0550187822   1.2652610792
C    1.5589218397   1.6756000673  -0.7743823094
C    1.8038274833   0.7901021041   1.4511893532
C    0.3526297515  -3.3957989788   0.6085668326
C    2.2472117145   1.6022257350   0.4235397323
C    2.1742392399  -3.0334043621  -0.2918138755
H   -4.1931203004   0.3368409094   0.2459825968
H   -2.0230053893   0.5715150117   2.2964128411
H   -3.3972631342  -0.5456834307   2.2948110954
H   -0.9285689285  -1.7310984564  -1.9614618102
H   -1.8866117768  -2.6953688425  -0.8411233710
H   -1.8953037128   2.3154002840   0.5905187480
H   -3.1900818313   2.4643005325  -0.5856412329
H   -3.6759497335   3.8252695405   1.4433747305
H   -4.8823004577   2.5573803318   1.2598658478
H   -3.6028128318   2.3965418451   2.4596463669
H    0.3112077556  -0.5797390313   2.0737516687
H    1.9155430522   2.3036855052  -1.5787859513
H    2.3454358892   0.7240497338   2.3840669495
H   -0.4516340939  -3.7263470107   1.2459019363
H    3.2333766137  -3.0413805889  -0.4956437310
*
