! 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  -4.9790997516   1.6747050608   0.2863219416
F   -1.0970613976  -2.9423541602   0.6618247888
F   -2.6474524360  -2.7838632550  -0.8133727560
F   -0.6379892286  -2.2112540769  -1.3071812986
O    2.2573428317   1.3186918310  -1.5643208445
N    2.6490889581  -0.9003819844   0.2918924774
N    0.4719993540  -0.5174368498   0.8181776452
N    4.1872268382  -1.9494675868   1.4792589716
C    1.4007857796  -0.3581603897  -0.0259268006
C    1.2889705995   0.3286261143  -1.3710672126
C    2.0764199077   2.4717265135  -0.7594232012
C   -0.8033233496   0.0073748060   0.6317265821
C    3.1529029590   3.4780842219  -1.1019150520
C   -1.8423061894  -0.7764570957   0.1164492509
C   -1.0876484860   1.3049614203   1.0488545450
C   -3.1264269279  -0.2595846962   0.0101449060
C    3.7773306071  -0.9804627498  -0.5050247716
C    3.0140984781   4.7448413018  -0.2721993984
C    2.9685228456  -1.5083805993   1.4760399495
C   -1.5606956617  -2.1773469466  -0.3316833654
C   -2.3648273610   1.8246358045   0.9421527696
C   -3.3779167416   1.0366085603   0.4220900327
C    4.7000881649  -1.6289778701   0.2427880333
H    0.2764292511   0.7300839244  -1.4820330330
H    1.4249478837  -0.4200350612  -2.1557605584
H    2.1350384801   2.2172400274   0.3081604403
H    1.0811881556   2.9008549219  -0.9355145047
H    4.1346428496   3.0296170049  -0.9303355912
H    3.0950178862   3.7239558292  -2.1651832638
H   -0.2981410725   1.9145555272   1.4674796651
H   -3.9321419704  -0.8561830968  -0.3932306092
H    3.8330634998  -0.5895193239  -1.5041262834
H    2.0546495585   5.2348975304  -0.4456802643
H    3.0903388930   4.5349146619   0.7959141671
H    3.7970525562   5.4604232304  -0.5220097892
H    2.2658537031  -1.5866684233   2.2881419324
H   -2.5607662619   2.8378328519   1.2644916584
H    5.7100240423  -1.8808309323  -0.0369453198
*