! 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    4.8140725714   1.9644891609  -0.0133519893
F   -1.7599964076  -2.2688224635   0.3463424972
F   -2.2090351709  -1.8113250708  -1.7377690949
O   -1.6268754655   2.4818136474  -0.5134528071
N   -0.5353447035   0.5466294960  -0.0329560930
N   -5.0853475874   0.4996164293   0.4471166842
N   -4.7251452329  -0.7457031336   0.1740199750
C    4.0165291706  -0.8968887816   0.4371649194
C    2.9618937530  -1.9614638397   0.8253720112
C    1.6074858918  -1.5124952039   0.2537044725
C    3.1409406535   0.3082119557   0.1720352251
C    1.7918637211  -0.0206364644   0.1185839933
C    4.9965233596  -0.6839437207   1.5907954517
C    4.7957540201  -1.2866128309  -0.8225716753
C    1.2814714509  -2.1660583703  -1.0900404176
C    0.8089618361   0.9557801948  -0.0768859270
C    3.5120704972   1.6222860578  -0.0305783209
C    1.2196306417   2.2773477384  -0.2626020410
C    2.5690796707   2.6031446079  -0.2486101386
C   -1.6492525717   1.2938561429  -0.2210780106
C   -2.9494120048   0.6287878447  -0.0112776654
C   -3.4384615406  -0.6947092250  -0.1013452184
C   -4.0686407136   1.3582121749   0.3399340600
C   -2.7805483860  -1.9557615982  -0.5117633789
C   -6.4527692856   0.8002104718   0.8051736322
H    2.8895579034  -2.0079260807   1.9139836068
H    3.2441980345  -2.9589422926   0.4829689073
H    0.8136589311  -1.7616012081   0.9639967199
H    5.7945223071   0.0129912848   1.3370687562
H    4.4891789507  -0.3097221355   2.4811632188
H    5.4668132510  -1.6333712374   1.8545660127
H    5.3728752895  -2.1963503799  -0.6458259465
H    4.1394276276  -1.4713117154  -1.6729340219
H    5.4974930668  -0.5033971830  -1.1127937659
H    2.0821334002  -2.0102489509  -1.8129590885
H    0.3686806546  -1.7734396827  -1.5347017884
H    1.1497586904  -3.2416047445  -0.9666868345
H    0.5060827285   3.0682672220  -0.4132650500
H    2.8749674972   3.6304240433  -0.3975348079
H   -0.6757970396  -0.3970236628   0.2905080610
H   -4.1883043240   2.4119902032   0.5307976249
H   -3.4739998029  -2.7944040745  -0.5365106985
H   -6.7316019899   0.2628360347   1.7078906380
H   -6.5417198497   1.8664247953   0.9854736032
H   -7.1219843900   0.5196356252  -0.0041911827
*