! 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   1.6472396021   2.1793323501   1.2587084897
Cl   5.5133870749  -1.1472376854  -0.2787803146
O   -1.1269665526  -0.8448367083  -0.6345205118
O   -0.7997284571   0.5316687326   1.1158216703
N   -2.0247738570   1.7561711929  -1.1897639862
N   -2.5624029784   2.6218988199  -0.3255101952
N   -4.1559741887   1.7036293541  -1.6124379289
C   -0.3690317871   0.2398377220  -0.1877040026
C   -1.7536482569  -1.4657123380   0.4868965248
C   -1.9122132100  -0.2879649436   1.4289113328
C   -3.0506912579  -2.1164928669   0.0566674622
C   -0.6309634670   1.4051429353  -1.1538483882
C    1.1200231301  -0.0898935250  -0.1768930369
C   -3.8401614013  -2.6994456313   1.2267850265
C    2.0771228679   0.7168545480   0.4372410756
C    1.5752506095  -1.2276192863  -0.8355990082
C   -3.1248231824  -3.8227779755   1.9638584395
C    3.4267940346   0.4002395885   0.4111248855
C    2.9165218995  -1.5692446549  -0.8758705807
C   -2.9861748255   1.2091110973  -1.9355887387
C    3.8331312755  -0.7479454311  -0.2451707182
C   -3.8343800998   2.5542504336  -0.6185630487
H   -1.0694258766  -2.2078253749   0.9164793254
H   -2.8560017762   0.2454094169   1.2574398645
H   -1.8602193168  -0.5663804361   2.4815055605
H   -2.8369875056  -2.9074268981  -0.6674566767
H   -3.6633168075  -1.3704960001  -0.4580886784
H   -0.3167896413   1.1188628978  -2.1576711133
H   -0.0621709477   2.2875001450  -0.8709367675
H   -4.7893417343  -3.0742357719   0.8386650479
H   -4.1029017916  -1.9052146743   1.9320757350
H    0.8669248591  -1.8727870904  -1.3346931112
H   -2.2193482748  -3.4797673260   2.4661723917
H   -3.7696327958  -4.2569434265   2.7281812270
H   -2.8386784659  -4.6240507816   1.2801433379
H    4.1467511612   1.0436232587   0.8965154992
H    3.2340868987  -2.4628475738  -1.3937784704
H   -2.7892590137   0.4842004422  -2.7085339695
H   -4.5643298283   3.1571528264  -0.1020878951
*
