! 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  -1.8725822389  -3.4339702533  -0.6610643787
F    1.0323587284   2.2311700960  -1.6679751213
F    2.1426391092   0.5188113991  -2.3247400629
F    0.4885845339   0.2830459242  -0.9636146163
F   -2.3639796864   2.7421543705  -0.5434300106
F   -3.0328398215   1.4550354846  -2.1340093662
F   -4.3078797492   1.8314743184  -0.4451620734
O    2.3702536288  -1.8059287733  -0.4789779390
N    1.5421721000  -1.7027135188   1.6296142685
N   -1.3494633441  -0.4139874179   1.8289806485
C   -0.6456215776  -2.7076036985   2.0830991906
C    0.7922550924  -2.9381144472   1.6123310332
C   -1.3273161488  -1.6323349452   1.2960669600
C    2.7427433371   0.1759138469   0.7817487013
C    2.1934596350  -1.2044455420   0.5708602882
C    2.4683764260   1.2293411642  -0.0968523047
C   -1.8893850975  -1.8564777836   0.0392124501
C   -2.4469644673   0.4428870451  -0.0985733780
C   -2.4605661562  -0.8178237287  -0.6697795477
C    3.5909514302   0.3974062311   1.8600327860
C    3.0523435994   2.4718693346   0.1116313504
C   -1.8812385245   0.5932359568   1.1573904739
C    1.5364351975   1.0596016907  -1.2620136647
C    4.1749567341   1.6392541722   2.0612275266
C    3.9080551320   2.6757617037   1.1841309873
C   -3.0364523143   1.6178652080  -0.8084818611
H   -1.1837092809  -3.6537009637   2.0192248159
H   -0.6378486648  -2.4121493994   3.1324506745
H    1.2595847205  -3.6788853290   2.2630822053
H    0.8130270658  -3.3410892152   0.6021641777
H    1.4208303606  -1.1075046194   2.4344470299
H   -2.8936110866  -0.9980516446  -1.6445051315
H    3.8154510389  -0.4107657285   2.5436755693
H    2.8434025247   3.2978139294  -0.5536330965
H   -1.8528598011   1.5572464228   1.6498151833
H    4.8364762275   1.7909285275   2.9029986372
H    4.3559846108   3.6484543610   1.3322800212
*