! 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  -0.5518259584  -2.5270210243  -0.1197410371
Cl  -2.8353359182  -2.2256676385   1.6314191078
F    2.2725647259  -1.3690917169  -2.4993193558
F    3.5936703674  -2.6191018138  -1.2879293020
O    2.9073081045   1.5739039560  -1.9162401315
N    1.1447006390   2.5833582766  -0.9717147984
N    1.7509299477  -0.8000554719   1.6795416561
N    2.4051784893  -1.5545485813   0.8022728719
C   -1.2457901500   0.5163731746  -1.0448411367
C   -3.0665401489   0.7412980780   0.3062955180
C   -2.3928748672   0.8604200779  -2.0318387201
C   -3.6335825657   1.0050654114  -1.1137750871
C   -2.0199458918  -0.2919198842  -0.0308735029
C   -1.0228573891   1.7525935754  -0.2029704386
C   -2.1439977905   1.8929004387   0.6205398580
C   -0.0014602875   2.6828649575  -0.1546596994
C   -2.2832220489   2.9662560051   1.4745786869
C   -1.8320528735  -1.5137737235   0.4227183664
C   -0.1316371192   3.7676651188   0.7157280203
C   -1.2579075455   3.9100723296   1.5114615657
C    2.0360526174   1.5699238622  -1.0508427023
C    1.9718793436   0.4708478192  -0.0804118356
C    2.5538062869  -0.8020170356  -0.2626956091
C    1.4554440055   0.4115937918   1.2004748078
C    3.1964511942  -1.3383413302  -1.4939170281
C    1.3106844751  -1.3514034824   2.9418898361
H   -0.3728168730   0.0550090999  -1.4975891084
H   -3.8059696902   0.4963397238   1.0637119207
H   -2.5234108339   0.0458726598  -2.7443018273
H   -2.1716789577   1.7632020926  -2.6000629502
H   -4.1016995965   1.9866235388  -1.1773165005
H   -4.3909965831   0.2595966412  -1.3564176576
H   -3.1575414490   3.0765505110   2.1026761096
H    0.6655676396   4.4976627099   0.7733859103
H   -1.3303831350   4.7583918038   2.1789494876
H    1.3398044956   3.3714017291  -1.5750112497
H    0.9396298314   1.1381164596   1.8058911125
H    4.0533703056  -0.7638156847  -1.8362708967
H    1.8065763660  -2.3031050098   3.0976280792
H    0.2336402407  -1.5077025459   2.9367006330
H    1.5683940186  -0.6788878227   3.7553644197
*