! 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   0.7657770409  -1.3995802001   2.5096745657
Cl   4.4466789270  -1.3741033329  -1.3423593398
O   -1.9698990212   0.2146030454  -0.7040352701
O   -1.8172562874  -1.1613605585   1.0753447631
N   -0.4260546909   2.2231668216   0.7151972821
N    0.8640866889   2.4269184683   1.0000539573
N    0.2242018031   3.7291603580  -0.7111432310
C   -1.1892488329  -0.0949191580   0.4159571968
C   -2.9848975437  -0.7750283238  -0.8663492888
C   -3.1285745129  -1.2971005932   0.5501348433
C   -1.1650672116   1.1472303376   1.3263988268
C    0.2203272434  -0.4853832227  -0.0088731965
C   -4.2330067746  -0.1486310865  -1.4472330042
C   -5.3489085167  -1.1707707925  -1.6094208748
C    1.1554712017  -1.0418430714   0.8607636268
C    0.6439274364  -0.2074577234  -1.3044323601
C    2.4520218687  -1.3245099112   0.4601637870
C    1.9333583101  -0.4752656441  -1.7318594808
C   -0.7856810790   2.9950706952  -0.3122303994
C    2.8288057455  -1.0342761689  -0.8391787750
C    1.2032847325   3.3356486159   0.1253263027
H   -2.6208928293  -1.5699917540  -1.5298861969
H   -3.8497423006  -0.7057900683   1.1277655219
H   -3.4171897250  -2.3458962494   0.6020569472
H   -0.6963000908   0.9233572972   2.2808632204
H   -2.1863973601   1.4744428201   1.5228903273
H   -3.9961457916   0.2923415251  -2.4178371184
H   -4.5627010315   0.6663849186  -0.7972302297
H   -5.0428695998  -1.9993581567  -2.2497929921
H   -5.6617697968  -1.5896461934  -0.6515355603
H   -6.2268911344  -0.7125000311  -2.0631930459
H   -0.0456484421   0.2343672453  -2.0086288854
H    3.1556120993  -1.7599128569   1.1558256276
H    2.2271047059  -0.2453240147  -2.7462192772
H   -1.7834758326   3.0081305538  -0.7190930956
H    2.2025973684   3.7401557961   0.0927646277
*