! 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  -0.9308709303  -0.3108329457   2.4843349655
F    5.7670415787  -0.0616044914  -1.2852438671
F    5.2248002280  -1.1150996337   0.5013598644
F    4.1001791524  -1.4091113578  -1.3117902011
F   -5.4317182777   1.8508152970   0.7954785878
F   -4.4577391664   2.3537425443  -1.0518558180
F   -5.9738170500   0.8301264982  -1.0206286995
O    2.3247416292  -1.7903925694   1.0112433875
N    0.8715703010  -1.1994981068  -0.6153629433
N   -2.8069002091  -1.7130506615  -0.7033909323
C   -0.8887769483  -2.6454319328   0.4021758058
C    0.1795900638  -2.4682191575  -0.6768938813
C   -1.9439183313  -1.5900676652   0.3016972249
C    2.4700736984   0.4159035732   0.1395206627
C    1.8880770646  -0.9657090901   0.2203834820
C    3.8104114501   0.6429726159  -0.1865889078
C   -2.0319513859  -0.4987318704   1.1664893187
C   -3.8940871495   0.3024443572  -0.0685980545
C   -3.0113833180   0.4593897518   0.9865167649
C    1.6612645822   1.4967995323   0.4662302362
C    4.3171569288   1.9357450541  -0.1697477142
C   -3.7490155111  -0.8051733768  -0.8895813641
C    4.7220931765  -0.4863921093  -0.5674619130
C    2.1743579634   2.7851890933   0.4935791772
C    3.5038095673   3.0040012934   0.1777130063
C   -4.9438784369   1.3315316900  -0.3350112400
H   -1.3543415114  -3.6199941090   0.2483695785
H   -0.4244275560  -2.6641663212   1.3858659908
H    0.9012142347  -3.2808614305  -0.5992132049
H   -0.2750998219  -2.5402860913  -1.6629068713
H    0.5756469793  -0.4656092951  -1.2392869434
H   -3.0757128897   1.3037612420   1.6599198595
H    0.6223772020   1.3351645786   0.7191615516
H    5.3480762955   2.1282028121  -0.4313498432
H   -4.4128387158  -0.9770892751  -1.7274228202
H    1.5327130227   3.6129931219   0.7620359817
H    3.9124945057   4.0047284600   0.1924086636
*