! 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   1.0754013337  -0.4861364609  -2.3431084352
Cl   5.7339856143  -0.3293259941   0.2329497309
O   -0.9534298817  -0.6766322071  -0.2093645826
O   -0.7130112757   0.4394931848   1.6945223615
N   -2.0661580003   1.8763967064  -0.4362234567
N   -2.8030181425   2.4199968094   0.5353811368
N   -4.1102599495   1.7455860829  -1.1609714923
C   -0.2722690028   0.3865320403   0.3687408345
C   -1.0778039586  -1.6862884616   0.7854960701
C   -1.0030551417  -0.8899471693   2.0993127382
C   -2.3531183100  -2.4814340375   0.5831590689
C   -0.6444002679   1.6966727461  -0.3245359383
C    1.2437859252   0.1878046291   0.3056429102
C   -3.6318754844  -1.6585328390   0.4851706421
C    1.9135363860  -0.1999768119  -0.8545095676
C    2.0187599500   0.4254905414   1.4365869659
C   -4.8679510926  -2.5440124139   0.4385649029
C    3.2904737453  -0.3606050628  -0.8864563065
C    3.3947705947   0.2702078342   1.4351713986
C   -2.8584310563   1.4664967464  -1.4264044521
C    4.0188612172  -0.1269241938   0.2665921929
C   -4.0135013164   2.3190329413   0.0532610735
H   -0.2230252360  -2.3694831367   0.7205751417
H   -1.9422676451  -0.8838669036   2.6541780425
H   -0.2222706667  -1.2816371435   2.7560443071
H   -2.4223661114  -3.1827815598   1.4209220813
H   -2.2488327582  -3.0996727650  -0.3130861842
H   -0.2203487434   1.7313253367  -1.3262231525
H   -0.2239369922   2.5336608437   0.2303938609
H   -3.6012438302  -1.0365222644  -0.4099779650
H   -3.7134103589  -0.9681829410   1.3298723057
H    1.5415094018   0.7444194344   2.3522312067
H   -4.8378304406  -3.2226956496  -0.4160481617
H   -4.9569109171  -3.1548684898   1.3389213440
H   -5.7786267080  -1.9501769539   0.3526020100
H    3.7828885858  -0.6637235733  -1.7998121382
H    3.9633725948   0.4597757645   2.3344176558
H   -2.4835242097   0.9945152676  -2.3206424751
H   -4.8682734131   2.6874582254   0.5985203939
*
