! 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   0.4770559883   1.9793106679   1.2649998842
Cl   5.0860930414   0.1365810119  -0.6292625253
O   -1.2095611813  -1.9044322914  -0.2839919828
O   -1.5042757330  -0.1011208723   0.9872133591
N   -1.3285660483   1.5448611629  -1.4931556331
N   -2.0893749325   2.4471969864  -0.8676769974
N   -0.3822603045   3.4536939543  -1.9215999831
C   -0.9136388955  -0.5349299632  -0.1919420509
C   -1.5200513296  -2.4061940717   1.0210028870
C   -1.3443994711  -1.1690978427   1.9041624459
C   -2.9248364037  -2.9818381392   1.0210834183
C   -1.5835881050   0.1328145936  -1.3982720702
C    0.6046506856  -0.3299537598  -0.2179976779
C   -3.2541282662  -3.7325672084   2.3049853447
C    1.2811040583   0.7408116295   0.3652574986
C    1.3707511022  -1.2418116250  -0.9430584922
C   -4.6641716372  -4.3025784525   2.2904246028
C    2.6580238325   0.8844914220   0.2478467772
C    2.7408678040  -1.1175761227  -1.0832097697
C   -0.3142412238   2.1588688002  -2.1054166271
C    3.3754100740  -0.0476608188  -0.4770102991
C   -1.4820047803   3.5679352527  -1.1532765658
H   -0.7956687357  -3.1823977374   1.2850672821
H   -2.1011812069  -1.0731335702   2.6818410830
H   -0.3578145467  -1.1421246851   2.3787491916
H   -3.0243530058  -3.6653396578   0.1728279323
H   -3.6489727420  -2.1750700264   0.8637797731
H   -2.6601842019  -0.0203872702  -1.3428302781
H   -1.2239716359  -0.3404886193  -2.3106859569
H   -3.1426434116  -3.0703411578   3.1686835703
H   -2.5324718613  -4.5420964634   2.4475551061
H    0.8864579378  -2.0824188875  -1.4193730272
H   -4.8014335712  -4.9997860228   1.4620121670
H   -4.8858897244  -4.8400294926   3.2127806459
H   -5.4096167500  -3.5128727691   2.1818118692
H    3.1568764730   1.7212124293   0.7165711759
H    3.2976723287  -1.8464500312  -1.6548053986
H    0.4246702607   1.6322911966  -2.6892332408
H   -1.8557793299   4.5162715994  -0.8003001246
*