! 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  -2.6243107185   0.4142110792  -2.7332074604
Cl  -2.5653405542   5.0364672349  -0.0664914633
F    2.8376444153  -2.0848244831   0.4816209866
F    3.5080956308  -0.6014344839  -0.9350031791
F    2.7556199207  -0.1247012944   2.4590470136
F    3.5656581799   1.3020589871   1.0167236813
O    1.5407232873  -0.3107141089   0.0796111507
N   -0.6553567203  -2.8205626938   0.7308862504
N   -1.1162405916  -3.6567056997  -0.2030198361
N    0.3846745908  -4.6908715574   1.1064364928
C   -0.7449143860  -0.7018399425  -0.5275079777
C   -1.0636528943  -1.4365947689   0.7786626377
C    0.7069338081  -0.8394137381  -0.9591520083
C   -1.1935737651   0.7371391265  -0.4340202999
C   -2.0453811397   1.3196851891  -1.3720867157
C   -0.7713182562   1.5518304469   0.6172985496
C    2.7900255621  -0.7539026150   0.2050291889
C   -2.4731542455   2.6356038797  -1.2727036995
C   -1.1758679628   2.8692151533   0.7419502131
C    0.2406410590  -3.4463169927   1.4925914928
C   -2.0318457240   3.3991814797  -0.2079790249
C    3.4986861941  -0.0095944429   1.3353202688
C   -0.4645301798  -4.7587930729   0.0655595502
H   -1.3130479057  -1.1958497032  -1.3170540583
H   -0.5654062242  -0.9904884523   1.6371448648
H   -2.1354072540  -1.3865645176   0.9684494276
H    0.9357537523  -1.8883604288  -1.1572281177
H    0.8749217111  -0.2823492851  -1.8822539658
H   -0.1057201295   1.1578108980   1.3726632248
H   -3.1397243851   3.0522438256  -2.0146193032
H   -0.8261145749   3.4675097533   1.5713132332
H    0.7409390066  -2.9699308207   2.3206596440
H    4.5022883867  -0.3956250636   1.5169504132
H   -0.6138934651  -5.6557092727  -0.5147678757
*