! 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    5.7055499315  -1.1364276069  -1.0728646860
F    4.6411062675   0.0407826800  -2.5653397897
O    1.6643038091  -1.9172808698  -0.8707441953
N    0.1902737464  -0.4990138338   0.1285291929
N    3.7219445196   1.5833252042   1.0796193996
N    4.5390334114   1.0086663232   0.2093330228
C   -3.7780237982   1.2105336329   0.5668730629
C   -2.3868388222   0.8154097758   1.1153354989
C   -4.4153695573  -0.1467563911   0.9411121434
C   -2.7435257763   0.4816773076   2.5838837809
C   -4.1372463659  -0.1830667312   2.4628688970
C   -2.1785131094  -0.5064296294   0.4172741949
C   -3.4361420841  -1.0996851019   0.3119106094
C   -3.8549861003   1.6318837211  -0.8967638339
C   -1.0369351972  -1.1580683937  -0.0319857042
C   -3.5946978955  -2.3514011920  -0.2476783702
C   -3.0352060287   2.8948625674  -1.1415659118
C   -5.3052761933   1.8546873597  -1.3148824944
C   -1.1932457118  -2.4224942704  -0.6173205089
C   -2.4531383629  -2.9958802200  -0.7171437830
C    1.4310859887  -0.8849487015  -0.2571344313
C    2.5115974127   0.0376970140   0.1210144658
C    3.8311691610   0.0653582605  -0.3777207819
C    2.4998937069   1.0445211103   1.0695545547
C    4.4620609047  -0.7398630255  -1.4591272307
C    4.1822871939   2.6617466910   1.9287328774
H   -4.2062386832   2.0151846766   1.1775129791
H   -1.5985482616   1.5619177936   1.0144669640
H   -5.4596064500  -0.3037155712   0.6756839331
H   -2.7947359471   1.4001427544   3.1699699171
H   -2.0006906965  -0.1634547262   3.0524569587
H   -4.1621358744  -1.1976076550   2.8603379342
H   -4.8959040682   0.3931691134   2.9943077589
H   -3.4417655226   0.8337418471  -1.5225397315
H   -4.5686197975  -2.8163647964  -0.3321338321
H   -1.9743050365   2.7434454107  -0.9379803397
H   -3.1209976817   3.2216294809  -2.1791415945
H   -3.3796909039   3.7163326738  -0.5086158053
H   -5.9061331099   0.9510166191  -1.2066134311
H   -5.7727610867   2.6370719561  -0.7120941156
H   -5.3683766467   2.1632674813  -2.3596320273
H   -0.3465167065  -2.9653087514  -1.0015568578
H   -2.5389105994  -3.9705656711  -1.1798741572
H    0.1163889506   0.4121562234   0.5527420068
H    1.7317825274   1.3943730841   1.7409074691
H    3.8897809953  -1.6170347808  -1.7463960325
H    5.2221011132   2.8625185999   1.6940662351
H    3.5956844103   3.5593685796   1.7498876165
H    4.1001003891   2.3800954730   2.9755652746
*