! 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  -2.0836557249   4.9679379562   0.2509602786
N   -0.7203735581  -2.9479054444  -0.6161273767
N   -1.0266978120  -3.7825885934   0.3820526390
N    0.0795795501  -4.8695845378  -1.2392422948
N    0.5360163789  -1.6245942894   2.5036159108
C    0.0528122286  -0.6735741557   0.1176341079
C    1.3866163466  -0.7378168949  -0.6608345693
C   -1.0391033477  -1.5458188598  -0.5550644653
C    2.4757654825   0.1743148894  -0.1138858092
C   -0.4849072211   0.7502404493   0.1910510517
C    3.7699325127   0.0499661439  -0.9081116244
C    0.3046896581  -1.1968591252   1.4602668397
C   -0.7982743924   1.3731594826   1.3923831166
C   -0.6824306397   1.4543846463  -0.9951137035
C    4.8711688825   0.9502503437  -0.3699440435
C   -1.2913975963   2.6698656351   1.4188497764
C   -1.1754878462   2.7476993076  -0.9852777676
C   -0.0597235636  -3.6107344073  -1.5693481321
C   -1.4754249216   3.3482511001   0.2277687304
C   -0.5290191456  -4.9149671143  -0.0383963307
H    1.1806188058  -0.4864114550  -1.7045651787
H    1.7484471746  -1.7689380948  -0.6579206901
H   -1.1880606621  -1.1891390862  -1.5726088108
H   -1.9831854359  -1.4364496480  -0.0262107321
H    2.6728734296  -0.0652299967   0.9358862976
H    2.1395710434   1.2144411652  -0.1358041057
H    3.5752671016   0.2947833624  -1.9561793948
H    4.1070340094  -0.9903033837  -0.8946724951
H   -0.6624925529   0.8631949290   2.3368264367
H   -0.4458723036   1.0085494546  -1.9527835058
H    4.5758801732   2.0005272345  -0.4009355503
H    5.7879313761   0.8496908168  -0.9517744486
H    5.1112985872   0.7066243825   0.6665203772
H   -1.5244494176   3.1378306914   2.3652246223
H   -1.3182510284   3.2781325706  -1.9163684371
H    0.2798172133  -3.1458191478  -2.4816114583
H   -0.6147785041  -5.8181331422   0.5449945456
*