! 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  -1.8241395072  -3.1193609240   1.5464739060
F    0.4815641971   2.1651082626  -0.5966225951
F    0.5232219346   0.4794991178   0.7363203089
F    1.3021745823   2.3759152172   1.3760766634
F   -4.4469891537   1.7931240061  -0.4007293718
F   -3.5514812341   1.8046240750   1.5553778792
F   -2.5524445569   2.7568158882  -0.0959381213
O    2.3586266046  -1.6638876195   1.3222476795
N    1.6832980890  -2.0060287248  -0.8176898409
N   -1.3248619827  -0.8496859402  -1.6475618780
C   -0.4904221244  -3.0800410077  -1.2428605417
C    0.8880289587  -3.1922767027  -0.5923771309
C   -1.2552672759  -1.8723144443  -0.7988461376
C    3.0472478222  -0.1073836490  -0.3334474799
C    2.3071682581  -1.3251786001   0.1479652420
C    2.5777391490   1.1977185545  -0.2043834839
C   -1.8722698219  -1.7875952227   0.4487258799
C   -2.5782057492   0.4140953661  -0.0694257112
C   -2.5405897223  -0.6387356964   0.8267202252
C    4.3137213162  -0.3199282387  -0.8714552307
C    3.3724123341   2.2656511460  -0.6132780326
C   -1.9573438195   0.2570302227  -1.2993667312
C    1.2212236839   1.5417654599   0.3313157773
C    5.1035520268   0.7447851139  -1.2705302861
C    4.6317576404   2.0424274604  -1.1398670663
C   -3.2826094750   1.6917345764   0.2528223212
H   -0.3769477235  -3.0318620338  -2.3259640976
H   -1.0423420617  -3.9950360648  -1.0210547103
H    0.8045246372  -3.3488652777   0.4800134886
H    1.3931158223  -4.0676200780  -1.0039753717
H    1.7257772377  -1.6460275285  -1.7587868046
H   -3.0151772466  -0.5814262802   1.7966665199
H    4.6881441776  -1.3304160497  -0.9720717555
H    3.0131273449   3.2825916451  -0.5219406017
H   -1.9741754243   1.0458043603  -2.0415232286
H    6.0864357902   0.5600210809  -1.6818788369
H    5.2404106203   2.8808171537  -1.4487613741
*