! 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  -5.9626109197  -1.3970654504   2.1001334899
F    2.9488851504  -2.5396990553   0.2259280609
F    2.6081340913  -1.0107273967   1.7204211827
F    1.1045680402  -2.4516155289   1.2921201277
O    4.3942729214  -0.2641757967  -0.1933530925
O   -1.8369383261  -0.5998611941  -1.9828597520
N    2.2679556337   2.5874563716   0.4633140207
N    2.1717273812   3.6284757680  -0.3683107917
N    0.2032509233   3.2487034578   0.6398875651
C    3.5425468937   0.7549820823  -0.6634877125
C    2.1429283816   0.2386807971  -1.0163535110
C    3.4385417928   1.7502238648   0.5231520855
C    4.2242362481   1.4490808129  -1.8448555404
C    1.4495360905  -0.7940939170  -0.3512579249
C    1.4470968636   0.9194077760  -2.0135196542
C    0.1267220060  -1.0723047378  -0.6810663890
C    0.1263976785   0.6609323561  -2.3306282721
C   -0.5373883408  -0.3330159290  -1.6454643528
C    2.0436883561  -1.6866086366   0.7143985789
C    1.0851112467   2.3652218791   1.0386976147
C    0.9218606527   3.9875030239  -0.2254195085
C   -2.7611021569  -0.7759569376  -0.9857569806
C   -3.7702070157  -1.6987280416  -1.2164285782
C   -2.7367222980  -0.0347112112   0.1888796742
C   -4.7641248713  -1.8851039315  -0.2693207436
C   -3.7245836188  -0.2295898933   1.1412194245
C   -4.7303532758  -1.1540280545   0.9072817323
H    3.3980925574   1.2114222563   1.4657675116
H    4.3225760788   2.3862646165   0.5525192691
H    5.2575294982   1.6624898574  -1.5685078900
H    4.2336923266   0.8128149012  -2.7318826012
H    3.7671392883   2.3996690068  -2.1104263399
H    1.9339384160   1.7074061659  -2.5658752622
H   -0.4065477126  -1.8724600598  -0.1883026338
H    4.6809767673  -0.7906798964  -0.9485516621
H   -0.3739063619   1.2341164565  -3.0996977739
H    0.9219631527   1.5783572930   1.7583919101
H    0.5134283812   4.8302822264  -0.7607251645
H   -3.7843630835  -2.2703268412  -2.1349478592
H   -1.9644669964   0.7011586430   0.3746774994
H   -5.5504093332  -2.6043753251  -0.4519940609
H   -3.7056200370   0.3469671479   2.0556156152
*