! 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    4.4454140940   1.8880881537   2.3291346985
F    3.4961166950  -0.0040636409   2.8586328155
O    0.7168818831  -0.0691263287   1.4268619996
N    0.4163660051  -1.1683496216  -0.5314475116
N    4.2821889431   0.3368639208  -1.2939089181
N    4.5408667239   0.8577007424  -0.0990364832
C   -3.4513859784   0.9547388264  -0.4969373118
C   -2.0641321780   0.7070937841   0.1431634253
C   -4.1498489603  -0.1227259000   0.3660082831
C   -2.3931708856   0.9617053496   1.6344182827
C   -3.8258610217   0.3953150931   1.7861051814
C   -1.9504782002  -0.7844613493  -0.0226190688
C   -3.2448149361  -1.2991594791   0.1210248072
C   -3.5503310232   0.8021144373  -2.0119381292
C   -0.8934803018  -1.6345242024  -0.2918921404
C   -3.5021210326  -2.6494969020   0.0125483574
C   -2.6739840712   1.8320379107  -2.7175935681
C   -4.9972462071   0.9346506414  -2.4762202977
C   -1.1511390261  -3.0043286509  -0.4179362482
C   -2.4343101402  -3.5029443635  -0.2688175501
C    1.1361577420  -0.4159634701   0.3307996058
C    2.4733445267  -0.0271971796  -0.1298025846
C    3.4581154338   0.6500618176   0.6180652990
C    3.0624429485  -0.2016998761  -1.3669648093
C    3.3901158701   1.0840149115   2.0410611596
C    5.2609549873   0.3958537678  -2.3587447810
H   -3.8185166107   1.9542600671  -0.2302304001
H   -1.2319795710   1.2971248851  -0.2354883007
H   -5.2088457372  -0.3023257991   0.1875632158
H   -2.3688421256   2.0328211853   1.8413598408
H   -1.6734581822   0.4850939005   2.2959581045
H   -3.8945657040  -0.3939375376   2.5351429585
H   -4.5340774609   1.1750414464   2.0708120063
H   -3.1940927218  -0.1938452691  -2.2959930476
H   -4.5063933337  -3.0410931894   0.1161558784
H   -1.6176123536   1.7086890958  -2.4751040060
H   -2.7678274611   1.7496474846  -3.8019801883
H   -2.9599167449   2.8500748900  -2.4408004765
H   -5.0692850537   0.8549054457  -3.5624496043
H   -5.6387420591   0.1606483986  -2.0526452629
H   -5.4153722595   1.9031185829  -2.1902596992
H   -0.3347501281  -3.6787083707  -0.6456949660
H   -2.6058706730  -4.5656171758  -0.3798325926
H    0.8912674365  -1.5743227490  -1.3228646457
H    2.7048006748  -0.6506825165  -2.2802211578
H    2.4733888494   1.6117999646   2.2921004418
H    5.5063937824  -0.6068398136  -2.6996700352
H    4.8776335814   0.9760774608  -3.1945713792
H    6.1581092177   0.8707729474  -1.9769711744
*