! 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    0.0331125740   0.8998443039  -1.9267263403
F    5.5837063576  -0.1202423106  -0.1422828917
O   -0.1483110043  -1.1167720978   1.7927195200
N   -2.0931547895  -1.5520149364  -0.3817724071
N   -2.7091061585  -1.7886580184   0.7824551451
N   -4.1637736468  -0.9836329584  -0.7174422832
C    0.0090731944  -0.6332750696   0.4784921811
C   -0.6569585573  -1.6287262647  -0.4956864876
C    1.5118779311  -0.5225620327   0.2604305664
C   -0.6256230459   0.7522729613   0.3305191387
C    2.1732154129  -1.0618405566  -0.8351788959
C    2.2613285613   0.1592694379   1.2188860223
C   -0.5820396710   1.4562186006  -0.8661957319
C   -1.2743524423   1.3745355070   1.3926670672
C    3.5488884246  -0.9313516183  -0.9801907620
C    3.6327349003   0.2993532624   1.0926070839
C   -1.1418849874   2.7053899402  -1.0337367408
C   -1.8459189182   2.6326311956   1.2567807470
C   -2.9680608927  -1.0570902380  -1.2538959827
C    4.2545760650  -0.2519533213  -0.0115150307
C   -1.7819382120   3.2995217269   0.0439166764
C   -3.9445873080  -1.4378408609   0.5274836264
H   -0.4170611243  -1.4357091125  -1.5361950495
H   -0.3270905705  -2.6414816921  -0.2636129375
H    1.6418247090  -1.6019388059  -1.6057718339
H    1.7787410973   0.6006414890   2.0808504295
H   -1.3290993065   0.8799101936   2.3519641850
H   -1.0780585596  -1.3690597192   1.9178417130
H    4.0540038729  -1.3558397358  -1.8372364334
H    4.2056468542   0.8292069384   1.8419163167
H   -1.0747912264   3.2031231915  -1.9921872715
H   -2.3399323864   3.0886181552   2.1038106650
H   -2.7013456461  -0.7868828713  -2.2633310446
H   -2.2246484053   4.2796616001  -0.0698278453
H   -4.7181578470  -1.5171253694   1.2746359606
*