! 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    5.4723918372  -1.6742909815   0.2180377854
F    5.4071784849  -0.8103948326  -1.7802217860
O    1.6446024939  -1.9366323752  -0.7655343049
N    0.1639899854  -0.4421744021   0.0962776862
N    3.6176291377   1.8954134835   0.5846133885
N    4.5285655378   1.0390622821   0.1457237463
C   -3.8050021237   1.3110038815   0.3069830969
C   -2.4137662580   0.9764257237   0.8937799901
C   -4.4416940527  -0.0002881889   0.8195145784
C   -2.7683312197   0.7967693889   2.3892746451
C   -4.1611470068   0.1204459760   2.3376504718
C   -2.2056549479  -0.4124105395   0.3405824007
C   -3.4628550742  -1.0135683105   0.2930814606
C   -3.8769516291   1.5821714670  -1.1927267013
C   -1.0616868888  -1.1117743846  -0.0201313672
C   -3.6183337821  -2.3184974731  -0.1287812215
C   -3.1021843215   2.8469412887  -1.5484748260
C   -5.3272468894   1.7052675180  -1.6479973882
C   -1.2139112032  -2.4318429035  -0.4684530479
C   -2.4741525737  -3.0105910277  -0.5185495036
C    1.4066290339  -0.8484260993  -0.2590554546
C    2.4778274113   0.1226340774   0.0084454731
C    3.8627439311  -0.0398084536  -0.2104013812
C    2.3791494687   1.4022839880   0.5253331101
C    4.6200670011  -1.2068696771  -0.7401302121
C    3.9990291056   3.2078207487   1.0634990127
H   -4.2363403211   2.1737033297   0.8304095630
H   -1.6254358225   1.7078038328   0.7116291666
H   -5.4866878520  -0.1817725934   0.5736337991
H   -2.8183216770   1.7695850154   2.8804109569
H   -2.0240770469   0.2027727376   2.9199013794
H   -4.1824183561  -0.8488037923   2.8359295441
H   -4.9206061684   0.7453849073   2.8096049770
H   -3.4230795417   0.7441792233  -1.7323847258
H   -4.5918975895  -2.7904730717  -0.1673921110
H   -2.0437093781   2.7674353877  -1.2963019659
H   -3.1631314295   3.0564480709  -2.6178509185
H   -3.5028514526   3.7161746050  -1.0207941983
H   -5.3861605749   1.9295037891  -2.7145880038
H   -5.8892646140   0.7855926921  -1.4800469589
H   -5.8417092970   2.5091586001  -1.1153613506
H   -0.3624922778  -3.0135146827  -0.7788013513
H   -2.5584016137  -4.0297668027  -0.8731637742
H    0.0896822898   0.4742187669   0.5065192852
H    1.5366386470   1.9928558071   0.8493430248
H    3.9900246742  -2.0254755714  -1.0730772659
H    5.0761390438   3.3035692398   0.9823047602
H    3.5248840964   3.9806157436   0.4637527571
H    3.7064720187   3.3287117968   2.1034659093
*