! 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
F   -3.5113998385  -0.8197372749  -2.4223492855
F   -2.1530196918   0.8379194278  -2.4423326660
F   -1.5547829605  -1.0382502394  -1.5701153844
O    4.5221742210  -0.0499469501  -0.0093994177
O   -0.2076323444   1.2498892433  -0.2503310026
N   -0.1441118122  -0.3764253323   1.3517754702
C    4.2653157993   0.8459098681  -1.0983999647
C   -2.2534093039   0.5300078583   0.6991709331
C    1.2177150516  -0.6903783699   1.4484330252
C    3.5157791676  -0.5293629976   0.7499417481
C   -3.1138947661   0.2539685840  -0.3674146095
C    2.1873605652  -0.1358276090   0.6117080260
C   -0.7632691929   0.5054467765   0.5393013269
C    5.5893950498   1.5051885720  -1.4193146414
C    3.7000840562   0.1034223161  -2.2956638095
C    1.5755230416  -1.6227725658   2.4187806334
C    3.8791746080  -1.4612842276   1.7222007051
C   -2.7838083434   0.9100625322   1.9251552961
C   -4.4859394274   0.3710202790  -0.1923690961
C    2.9045860925  -1.9949530280   2.5454001292
C   -2.5816335335  -0.1880683124  -1.6993848513
C   -4.1557514177   1.0339367901   2.0913400674
C   -5.0052621169   0.7668541658   1.0316373453
H    3.5635842239   1.6210443114  -0.7735926598
H    1.8966076836   0.5849419322  -0.1325639469
H   -0.7478905401  -0.9249687451   1.9476489319
H    6.3312157663   0.7722794468  -1.7421724914
H    5.4576304587   2.2238791173  -2.2277989017
H    5.9867241160   2.0445970800  -0.5589554717
H    3.5184938572   0.8050555332  -3.1104032000
H    2.7537025998  -0.3937284551  -2.0811543765
H    4.4035549364  -0.6504215811  -2.6536889699
H    0.8232160224  -2.0569607849   3.0654560512
H    4.9155576600  -1.7567198365   1.8246683930
H   -2.1229516191   1.1295711079   2.7538433967
H   -5.1671133421   0.1506916194  -1.0023282196
H    3.1834672054  -2.7189956905   3.2995079418
H   -4.5560211892   1.3389556488   3.0484324677
H   -6.0757657449   0.8565446434   1.1537698778
*