! 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    0.4345230481   2.2857640609  -0.9479078466
F    2.1268335439   3.0813423004  -2.0790636076
F   -3.7027703747   1.3508583068  -1.6827533211
F   -1.2797384535   2.1357039926   2.2237989783
F   -2.8008448556   3.0542914225   0.2001958869
O    0.4572914437  -0.8885672935  -1.4035921416
N    0.9259270134  -1.8868598291   0.5717932426
N    4.1691631922   0.8310821285   0.4489045483
N    3.6200709039   1.7251255495  -0.3666710901
C   -1.4715581500  -2.3702054563   0.4493321089
C   -0.1448142409  -2.8048228554   0.5530719743
C    2.2848680329  -0.0728993051  -0.1734409585
C   -1.8239874332  -0.9360059955   0.3952975118
C    2.4829839874   1.1925171980  -0.7587691272
C    1.1493054086  -0.9729834500  -0.3995968057
C    3.4103177772  -0.2585949039   0.6033284401
C   -2.4827104578  -3.3284042863   0.4146200034
C    0.1399894070  -4.1607088418   0.6608116929
C   -1.3701050354  -0.0575702778   1.3758313856
C   -2.6240555304  -0.4627176552  -0.6397604136
C   -2.1969834128  -4.6805283888   0.5199749763
C    1.5489766409   1.9302833153  -1.6528663892
C   -0.8810147316  -5.0974597218   0.6566770962
C    5.4642303581   1.0686259482   1.0501975760
C   -2.9455064764   0.8758858282  -0.6911693336
C   -1.7032427120   1.2765328562   1.2942458677
C   -2.4884116092   1.7609896694   0.2656908920
H    1.5654681487  -1.9434244218   1.3508795749
H    3.7257768711  -1.0835493469   1.2221473159
H   -3.5125952585  -3.0047058450   0.3324462232
H    1.1713006398  -4.4799343147   0.7394022682
H   -0.7684183548  -0.4009634171   2.2061849246
H   -2.9790204009  -1.1235382439  -1.4194536025
H    1.2321729413   1.3590373283  -2.5221070020
H   -3.0015685647  -5.4031205625   0.5050539549
H   -0.6452919679  -6.1492082971   0.7466983623
H    5.3888936474   1.0309316614   2.1341039398
H    6.1809046842   0.3232566886   0.7137036031
H    5.8078005187   2.0530246327   0.7515034721
*