! 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  -4.6876794989   1.8747548912   0.1163665093
F   -1.2246932655  -3.0225540316  -0.6913948243
F   -0.5788367221  -2.3936820289   1.2618576875
F   -2.6556167342  -2.7992012528   0.8919485127
O    1.7771606009   1.6918284711   0.6178594846
N    2.7183803451  -1.1268573271  -0.4557688768
N    0.5161087652  -0.7286604497  -0.8697082340
N    4.8867378664  -1.5305299614  -0.5336176813
C    1.5154404169  -0.5063627842  -0.1250330526
C    1.5187071268   0.3953582543   1.0839248449
C    1.4320146177   2.6966463856   1.5542064203
C   -0.7047461247  -0.1105814550  -0.6010256113
C    1.5196773139   4.0513795371   0.8878035037
C   -1.7636660433  -0.8273662872  -0.0340790700
C   -0.9098651178   1.2195488962  -0.9579684418
C   -2.9895331175  -0.2143753230   0.1876782111
C    2.8957248425  -2.1329105000  -1.3836733714
C    2.9046573601   4.3920708493   0.3592467271
C    3.9623678448  -0.8053504182   0.0145718203
C   -1.5591156872  -2.2591823142   0.3544179044
C   -2.1304335315   1.8328075953  -0.7438482994
C   -3.1617186085   1.1117562337  -0.1658526235
C    4.2291843028  -2.3663548225  -1.4074185649
H    2.2482289043   0.0628999691   1.8304754539
H    0.5351205567   0.3263829225   1.5639043772
H    2.1012114379   2.6523338783   2.4241868162
H    0.4119260517   2.5277530357   1.9230981589
H    0.7833767294   4.1048786322   0.0806471075
H    1.2140624135   4.7934430804   1.6294973270
H   -0.1076360251   1.7775465843  -1.4189599836
H   -3.8086291434  -0.7575056400   0.6369229400
H    2.0743432208  -2.5852027387  -1.9099446260
H    2.9215123645   5.3965656695  -0.0650103659
H    3.6516437121   4.3592752045   1.1548404896
H    3.2230512891   3.7031985342  -0.4234506223
H    4.1328896730  -0.0276285900   0.7406031312
H   -2.2677470482   2.8679525401  -1.0244145953
H    4.7573707666  -3.0965288273  -1.9987556010
*