! 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  -0.5873336187  -0.7463789984  -1.6020369248
Cl   4.7165243117  -0.4769890128  -1.4713557499
O   -1.5631095890  -0.3649457913   1.0717987333
O   -0.3207555693   0.3919365427   2.7443117500
N   -1.2829491396   2.2289762042  -0.2649204420
N   -0.3397641033   2.6776385358  -1.0982510223
N   -2.2641746179   2.3319485044  -2.2003632147
C   -0.5376973244   0.5187655710   1.3620685290
C   -1.3149275235  -1.5302483254   1.8507330091
C   -0.6190657960  -0.9551468784   3.0946715456
C   -2.6167626887  -2.2461214692   2.1319950470
C   -1.0123948712   1.9530831632   1.1207264396
C    0.7534356105   0.2089925729   0.5993912682
C   -3.3383506267  -2.7601839893   0.8894056901
C    0.8185693665  -0.3261687241  -0.6855943810
C    1.9622602614   0.5347944327   1.2113609708
C   -2.5680238379  -3.8247494861   0.1217230642
C    2.0331103419  -0.5461185319  -1.3221666430
C    3.1852305144   0.3370853364   0.5963148044
C   -2.4144591549   2.0159330587  -0.9386428053
C    3.2065893531  -0.2106756305  -0.6740140167
C   -0.9746740804   2.7173857834  -2.2398149836
H   -0.6254297758  -2.1920334969   1.3127440079
H   -1.2690825766  -0.9481527406   3.9721780070
H    0.2907759657  -1.5067153937   3.3402079487
H   -3.2726753313  -1.5743353607   2.6938225009
H   -2.3940981140  -3.0864060120   2.7967333319
H   -0.2601806123   2.6582421057   1.4703479302
H   -1.9250769140   2.1229086505   1.6921403664
H   -3.5724084670  -1.9253030731   0.2247393422
H   -4.2994564149  -3.1721738771   1.2056042087
H    1.9555477572   0.9607848829   2.2048385234
H   -2.2891912764  -4.6580302983   0.7697461884
H   -3.1707924024  -4.2301376459  -0.6917543085
H   -1.6536499871  -3.4306397552  -0.3235373151
H    2.0548810838  -0.9700620350  -2.3163362549
H    4.1005543769   0.6052002590   1.1045638058
H   -3.3163693928   1.6542923105  -0.4715578991
H   -0.4886670381   3.0561068972  -3.1412374859
*