! 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   0.5062187048   0.0191219764   2.9116129200
Cl   3.6917912359   2.6710931131  -0.4320092292
O   -2.0956916997  -0.5761818964  -0.7226987874
O   -2.0584967438  -0.3015277319   1.4890455843
N    0.0627629902  -2.5796447700  -0.4051870269
N    1.3791202256  -2.5526067984  -0.1772009281
N    0.9649670561  -3.0216051593  -2.3322310711
C   -1.2702271464  -0.6859116073   0.4054099371
C   -3.1488081000   0.3536955576  -0.4435553959
C   -2.8803322146   0.7471820180   1.0101892098
C   -0.8819661266  -2.1562803778   0.5966242223
C   -0.0320945503   0.1956154942   0.2351269059
C   -3.1503698289   1.5238356472  -1.4064430916
C   -4.3162357680   2.4627853580  -1.1295118425
C    0.8090047026   0.5431821218   1.2894471082
C    0.3382152045   0.6208408271  -1.0373480644
C    1.9481889765   1.3100812619   1.0964170687
C    1.4761476484   1.3756165093  -1.2633608929
C   -0.1650516886  -2.8442741847  -1.6929007077
C    2.2700989980   1.7202804559  -0.1848389627
C    1.8713834669  -2.8253427372  -1.3559121065
H   -4.0965613065  -0.1880354639  -0.5273287109
H   -2.3638765051   1.7127325957   1.0791897936
H   -3.7797466919   0.7920752333   1.6212788611
H   -1.7755403242  -2.7772493982   0.5378493085
H   -0.4267275474  -2.3124017608   1.5716470216
H   -2.2058686795   2.0684222322  -1.3247025608
H   -3.2169690046   1.1505226293  -2.4306549174
H   -4.2663020282   2.8927763962  -0.1275449468
H   -4.3205477617   3.2923133417  -1.8358385656
H   -5.2736143491   1.9473769725  -1.2208187072
H   -0.2742113059   0.3568920447  -1.8872273721
H    2.5756349556   1.5756736397   1.9355458245
H    1.7305695285   1.6870036765  -2.2665240951
H   -1.1548948630  -2.9192525450  -2.1131876231
H    2.9352926281  -2.8955751778  -1.5189896442
*