! 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  -5.2095806808   1.3219657603   0.6749055424
F   -2.5249680979  -2.4133044581  -1.6502499407
F   -0.5287628672  -1.6288531558  -1.7517061476
F   -1.0705345139  -2.9971387120  -0.1839787423
O    2.0449698970   1.9166780542  -0.4120361884
N    2.5578871172  -0.7579153609   0.4489213968
N    0.3270126406  -0.6995931050   0.8914779801
N    4.1242232207  -2.0145948913   1.3657630347
C    1.2892795539  -0.2189690993   0.2262156243
C    1.2094653078   0.8663613767  -0.8126001765
C    2.2042033876   2.8984114664  -1.4224596089
C   -0.9654252867  -0.1940837978   0.7818626118
C    3.2732844772   3.8830005996  -1.0048172831
C   -1.9176247671  -0.8046551940  -0.0420444690
C   -1.3526647378   0.8875103563   1.5677889592
C   -3.2227774334  -0.3328882196  -0.0764875571
C    3.7196594453  -0.5230870864  -0.2629943126
C    4.6515406775   3.2571559145  -0.8515245955
C    2.8761063773  -1.6689883454   1.4194825765
C   -1.5158658924  -1.9619954290  -0.9031247026
C   -2.6522140338   1.3596184399   1.5377343717
C   -3.5802305640   0.7438240136   0.7147865545
C    4.6604785972  -1.3054706039   0.3148700038
H    0.1711013161   1.1948715073  -0.9258693297
H    1.5152746106   0.4488182836  -1.7827372895
H    1.2526125927   3.4157414006  -1.5973641953
H    2.4888494637   2.4187501292  -2.3693914793
H    3.3049918747   4.6609443440  -1.7713519322
H    2.9749026407   4.3806538606  -0.0781979819
H   -0.6274621241   1.3589510745   2.2171449354
H   -3.9621580788  -0.7934321270  -0.7161619001
H    3.7823941393   0.1440702911  -1.1030466384
H    4.9622387346   2.7594125871  -1.7725200020
H    5.4002819682   4.0158669824  -0.6218564394
H    4.6801850990   2.5185288791  -0.0499638995
H    2.1500779612  -2.0282324360   2.1290607274
H   -2.9319583352   2.2025069105   2.1543251946
H    5.6968435211  -1.3997159137   0.0343189337
*