! 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  -4.4289669309   1.9474283807   0.8303121667
F   -1.8962554851  -1.1368118037  -2.4223703851
F    0.1656135015  -0.7009988366  -2.0099322618
F   -0.7526005064  -2.4552089619  -1.1732828564
O    1.1703404287   1.5108655082   0.1024400906
N    2.8117997325  -1.6602763114   0.6838470591
N    0.6299850456  -1.0857448606   0.9172179519
N    4.8121686595  -2.5829486448   0.5367264492
C    1.7827568567  -0.7200777411   0.5616262584
C    2.2180520381   0.6087851282  -0.0024058745
C    1.2394226787   2.5992505598  -0.7961125034
C   -0.5277284071  -0.3229547909   0.8556595712
C   -0.0212147987   3.4249025520  -0.6537301545
C   -1.3748232921  -0.3756539488  -0.2565834654
C   -0.9378318175   0.4034173489   1.9716815084
C   -2.5735128899   0.3273028301  -0.2637320725
C    2.6886957692  -2.9454500106   1.1720063758
C    0.0023491990   4.6346952350  -1.5753069676
C    4.1210530174  -1.5086205471   0.3155872161
C   -0.9699115160  -1.1654727904  -1.4597194880
C   -2.1267176594   1.1039855304   1.9679146335
C   -2.9375667714   1.0671468265   0.8441826966
C    3.9251406753  -3.4869255491   1.0739304775
H    2.5309323117   0.4489192176  -1.0439614499
H    3.1058494839   0.9560418542   0.5418950967
H    1.3396199274   2.2342743018  -1.8270025985
H    2.1240742661   3.2152522403  -0.5862301125
H   -0.8886700803   2.7980792986  -0.8765331915
H   -0.1272708550   3.7513950053   0.3838937191
H   -0.3037864195   0.4300408587   2.8474572450
H   -3.2242226910   0.3028064276  -1.1264413858
H    1.7573325434  -3.3395158796   1.5360246475
H    0.8371516668   5.2983547452  -1.3428104795
H    0.0965490681   4.3401993672  -2.6220714138
H   -0.9140404835   5.2170097732  -1.4806793387
H    4.5138226789  -0.5995603781  -0.1094856130
H   -2.4160651266   1.6771340548   2.8381527934
H    4.2338542367  -4.4788263052   1.3612030392
*