! 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    5.0524448202   1.8221234131   0.2031318895
F   -5.6665238282   1.7263976969  -0.3374886375
F   -4.1387075514   1.6699360039  -1.8943956374
O   -1.3695511268   1.7765978848  -0.4766164827
N   -0.1719086022   0.0465282061   0.3811174620
N   -3.9930428310  -1.7121590733   0.6296294159
N   -4.7247683992  -0.6745509499   0.2388155843
C    4.4549503355  -1.1248550557  -0.0071658439
C    3.5043979658  -2.3291587626   0.2090580133
C    2.0655268765  -1.8538039475  -0.0562637598
C    3.5034631156   0.0418299565   0.1450949482
C    2.1755079247  -0.3646503270   0.1504803842
C    5.5668190752  -1.1365014396   1.0410283431
C    5.0736489778  -1.1302692260  -1.4082060770
C    1.5525025025  -2.1967512706  -1.4552105681
C    1.1348838637   0.5516281709   0.2956387772
C    3.7771109635   1.3919896557   0.2374327523
C    1.4440147582   1.9051870707   0.4142908545
C    2.7670522166   2.3234141862   0.3722219437
C   -1.3225198548   0.6486038351  -0.0050184633
C   -2.5386990570  -0.1469940676   0.1867139640
C   -3.8636316323   0.2803418837  -0.0375895632
C   -2.6845522552  -1.4506837944   0.6224960184
C   -4.3299978583   1.6007991306  -0.5438100330
C   -4.6216458140  -2.9411291791   1.0662026014
H    3.5812333580  -2.6591552097   1.2472580019
H    3.7812132388  -3.1810889147  -0.4150817191
H    1.3897870458  -2.3112593397   0.6744623055
H    6.2952239670  -0.3413222959   0.8851763450
H    5.1639746528  -1.0355884311   2.0500095765
H    6.1066480587  -2.0844565583   0.9954358886
H    4.3147437533  -1.1459295527  -2.1910285802
H    5.6978087861  -0.2502762847  -1.5707390515
H    5.7051158641  -2.0109616209  -1.5408226941
H    2.2003439123  -1.7896317586  -2.2321314914
H    0.5489120609  -1.8061437518  -1.6302130488
H    1.5098760971  -3.2782139980  -1.5894998467
H    0.6725976282   2.6451662227   0.5567060265
H    3.0044266886   3.3753623818   0.4612165088
H   -0.2343203782  -0.9041849841   0.7091508979
H   -1.9696677130  -2.1997519927   0.9248404224
H   -3.8273099133   2.4473070720  -0.0820365571
H   -4.0942637877  -3.7924532827   0.6450927176
H   -4.6115333520  -3.0120169561   2.1516273928
H   -5.6479740651  -2.9508733484   0.7153324480
*