! 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  -0.2322046833   0.8080722188  -2.5623583776
Cl   3.8292836335   2.4147935924   0.4853776359
O   -2.3921915199   0.0510511829  -0.6623608584
O   -1.8309530293  -0.9244816675   1.2831722527
N    0.1131726791  -2.5687171836  -0.4292216445
N    0.3046112320  -3.1374198771   0.7636385625
N    2.2463734695  -2.9823699501  -0.3534430468
C   -1.3676401329  -0.6398332748  -0.0091126732
C   -3.2700934974   0.5982057392   0.3165677265
C   -3.1573972489  -0.4358048770   1.4254377881
C   -1.1316079363  -1.9464532868  -0.7925494297
C   -0.0768138848   0.1715060198   0.0951696089
C   -2.8804980843   2.0115810065   0.7251981218
C   -3.9744218847   2.6825434454   1.5425084041
C    0.4938576723   0.8342771587  -0.9892101430
C    0.6183498549   0.2139456507   1.3007533129
C    1.6886198210   1.5298994499  -0.8792400986
C    1.8149584359   0.8952260192   1.4387276553
C    1.2795059545  -2.4676717682  -1.0701392799
C    2.3386778978   1.5539114607   0.3413142723
C    1.5913963215  -3.3694456353   0.7571323388
H   -4.2708085749   0.6061554880  -0.1215277590
H   -3.2746424986  -0.0199792307   2.4267948824
H   -3.8819031315  -1.2453811331   1.2997006107
H   -1.0963447319  -1.7450615783  -1.8611498227
H   -1.9564134785  -2.6355263130  -0.6135191684
H   -1.9459836206   2.0018916284   1.2935991398
H   -2.6916689354   2.5945182931  -0.1792452437
H   -4.1864352580   2.1433281605   2.4674705110
H   -3.6848993373   3.6959359048   1.8190643732
H   -4.9066325464   2.7485304274   0.9787092559
H    0.2184278356  -0.2958435350   2.1641137177
H    2.1041834762   2.0397587466  -1.7370902599
H    2.3253946192   0.9073125327   2.3913363622
H    1.3711619471  -2.0401248203  -2.0565360106
H    2.0811645562  -3.8487677407   1.5900445776
*
