! 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    0.4560627719   2.3312914744   0.4904493016
F    1.5421838820   2.1385894050   2.3737875644
F   -1.4344905858   1.8434008270  -2.5850948541
F   -3.6937993087   1.6635794148   1.4915664870
F   -2.9204174185   3.0485049310  -0.6873770243
O    0.5188184977  -0.5716806965   1.4882902301
N    0.9430559600  -1.8238325703  -0.3482875303
N    4.3277751054   0.6839186873  -0.5505493055
N    3.7681857677   1.7658370044  -0.0263581047
C   -1.4418104126  -2.3106623285  -0.0917562683
C   -0.1126086338  -2.7410157241  -0.1700952374
C    2.3702330975   0.0144091182   0.1489490632
C   -1.8179981927  -0.8904287065  -0.2503690368
C    2.5886935123   1.3805674593   0.4148654676
C    1.1985655261  -0.8009722816   0.5028582671
C    3.5296797726  -0.3886914617  -0.4788699264
C   -2.4370763417  -3.2636185513   0.1176405310
C    0.1896294527  -4.0948446290  -0.0841875003
C   -2.5946005054  -0.2699681080   0.7231007094
C   -1.4234893643  -0.1759601694  -1.3782044385
C   -2.1337774301  -4.6131074599   0.2071904436
C    1.6978099683   2.3860425638   1.0438905438
C   -0.8163086765  -5.0314320391   0.0913527345
C    5.6539165827   0.7332208035  -1.1277846288
C   -1.7970940319   1.1434833119  -1.5076487849
C   -2.9558000474   1.0495480419   0.5636387076
C   -2.5631487647   1.7727240011  -0.5456323414
H    1.5710317985  -1.9866744376  -1.1216503718
H    3.8443901534  -1.3521307177  -0.8482999352
H   -3.4688618202  -2.9418620407   0.1818923535
H    1.2231834319  -4.4106431429  -0.1452035684
H   -2.9032587033  -0.8007598822   1.6139414212
H   -0.8403673373  -0.6378389467  -2.1631337836
H    2.0886205600   3.3975037371   0.9272987984
H   -2.9258332241  -5.3346245838   0.3549568948
H   -0.5676802916  -6.0822931258   0.1523005631
H    5.6127334356   0.5227078217  -2.1938631275
H    6.0601116275   1.7273914048  -0.9765651894
H    6.3022363918   0.0070697865  -0.6437135833
*