! 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  -0.3244597326   0.5691801432  -2.1951258753
F    5.1159401716  -0.6801653234   0.0489193753
O   -0.5564942751  -0.1748807300   2.2981637853
N   -1.8729688039  -3.4903691964   0.1974533270
N   -3.3109954529  -1.8947873816  -0.7858547494
C   -0.4285487480  -0.0896509880   0.8934879499
C    1.0625262757  -0.2990775794   0.6268592008
C   -0.7915104694   1.3172608627   0.3963021880
C   -1.3252797462  -1.1717833981   0.3133867515
C    1.5655408363  -1.2015847313  -0.3006604765
C    1.9646135986   0.4786794859   1.3524880006
C   -0.7358399476   1.7013722015  -0.9454206776
C   -1.1349463954   2.3048500280   1.3166123497
C   -1.0804018753  -2.5094020219   0.6048018929
C   -2.5004841988  -0.9246304885  -0.3771519385
C    2.9328573494  -1.3399441389  -0.5011770446
C    3.3309070888   0.3571193782   1.1655798430
C   -1.0144789013   2.9974473699  -1.3510762511
C   -1.4153328514   3.6055940002   0.9265924771
C    3.7928858669  -0.5569017422   0.2377305461
C   -1.3549298914   3.9560867312  -0.4111726725
C   -2.9452673668  -3.1303215315  -0.4922799067
H    0.9053459988  -1.8147961654  -0.8971364025
H    1.6124414004   1.2039511713   2.0738309390
H   -1.1748910045   2.0673813872   2.3695983367
H   -1.4920533332  -0.1357356582   2.5332734745
H   -0.2184951951  -2.8058166867   1.1914507252
H   -2.8245019456   0.0851441671  -0.5982783503
H    3.3123743781  -2.0471778542  -1.2261018139
H    4.0216771710   0.9660292234   1.7330146303
H   -0.9631330555   3.2557924308  -2.3997733227
H   -1.6762596304   4.3408188146   1.6752945656
H   -1.5689588126   4.9667469343  -0.7303954879
H   -3.5903042956  -3.9272141057  -0.8407424300
*