! 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   2.5830879208  -0.6102934365  -1.6545752504
Cl   0.7272257825  -5.4626932335  -0.4868873547
O   -1.1134224512   0.8273158504   0.5047678873
O    0.2540073618   1.1947923990  -1.2398917001
N    1.0109897823   2.5008716629   1.1774392222
N    0.2782824758   2.9476726351   2.2018398178
N    0.8428881744   4.6424476803   0.8425244608
C    0.1539051653   0.5383731590  -0.0085213623
C   -1.8357479356   1.6495482352  -0.4114358848
C   -1.0649821086   1.4251220427  -1.6985875172
C   -3.2958258800   1.2595946064  -0.4969331844
C    1.2194872122   1.0961288514   0.9457679305
C    0.3164184038  -0.9721482851  -0.1588067394
C   -4.1597685172   1.6856013886   0.6853627953
C    1.3661388833  -1.5578825748  -0.8654701863
C   -0.5957361155  -1.8299485294   0.4490749201
C   -3.8315786451   1.0076459222   2.0079010861
C    1.4988218702  -2.9342225780  -0.9735692405
C   -0.4865220124  -3.2072864380   0.3600868743
C    1.3254291492   3.5183348424   0.3734518305
C    0.5654772984  -3.7479147343  -0.3566208653
C    0.2095312124   4.2290552328   1.9571410395
H   -1.7519226098   2.6985255126  -0.0964721585
H   -1.4500509562   0.5602904702  -2.2533873030
H   -1.0637093018   2.2912194487  -2.3584041038
H   -3.3691371912   0.1793325819  -0.6581698273
H   -3.6942007735   1.7317676765  -1.4005180793
H    2.2205389455   0.9483569582   0.5451207857
H    1.1691948047   0.5802303974   1.9025136264
H   -5.2018396028   1.4783141200   0.4300580434
H   -4.0926252621   2.7712942326   0.8033995531
H   -1.4222546039  -1.4170301566   1.0088080942
H   -4.5656562286   1.2758861295   2.7692030745
H   -3.8434586643  -0.0797738654   1.9103948186
H   -2.8515360638   1.2941066049   2.3873192071
H    2.3200916873  -3.3605542086  -1.5323927832
H   -1.2156302791  -3.8419322101   0.8435805297
H    1.9212789803   3.4036000208  -0.5174328418
H   -0.3137762516   4.9004632127   2.6197059374
*
