! 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  -0.9836443479  -1.0887181361  -2.0500794074
Cl  -5.4651071032  -0.0119851639   0.6528149269
O    3.3952418793   0.2448625440  -1.5713302376
N    1.2318733777  -0.8242233246   0.1234425342
N    0.4793278116  -1.1308455773   1.1915663555
N    1.3912600968  -2.9850991058   0.3199755688
C    3.6475064204   1.1854622556   0.6346608104
C    2.7392366824   1.0383343145  -0.6058716842
C    2.9311004364   2.0654535824   1.6586799156
C    4.9307819138   1.8948683327   0.1896252675
C    4.0261563381  -0.1457062354   1.2879243783
C    1.3507796261   0.5092139286  -0.3293777563
C    0.2725322430   1.2793007479  -0.4643596118
C   -1.1304464166   0.9167206307  -0.2223025464
C    1.7642298953  -1.9461877941  -0.3819686147
C   -1.7934164554  -0.1283802081  -0.8628822545
C   -1.8695557104   1.6857744745   0.6759913159
C    0.6098082283  -2.4271503877   1.2668558851
C   -3.1234005496  -0.4214171323  -0.6032307775
C   -3.1946698118   1.4129866853   0.9614372037
C   -3.8089651619   0.3513439189   0.3172258159
H    2.5916885909   2.0544932362  -0.9939228092
H    2.0300902186   1.5923360938   2.0526610373
H    3.5882626838   2.2692505234   2.5057124257
H    2.6397946591   3.0278234239   1.2312732985
H    5.5536593303   2.1237977765   1.0562190464
H    4.7141919025   2.8388917568  -0.3156307221
H    5.5272498201   1.2829477800  -0.4869836223
H    3.1827709810  -0.6355887971   1.7750908723
H    4.7709970135   0.0346332859   2.0660200416
H    4.4665111203  -0.8481941310   0.5793467806
H    0.4460391817   2.3162528285  -0.7296271338
H    2.9531768483   0.3739048736  -2.4173086188
H    2.3977677450  -1.9649851072  -1.2510098581
H   -1.3857890451   2.5147803423   1.1760229974
H    0.1240058985  -2.9972472344   2.0431921286
H   -3.6135949628  -1.2376288350  -1.1151976057
H   -3.7349411210   2.0193166175   1.6746448661
*