! 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   -0.1836307381   1.9059502165  -1.6781639768
F    4.5581197689  -1.4449753404  -0.5344693307
O   -1.0556243789  -0.2285615950   1.8750683321
N   -1.7619751110  -1.7670450174  -0.5165991770
N   -1.7343533127  -2.5580943845   0.5625616251
N   -1.5879617584  -3.7876034966  -1.2993460706
C   -0.7257469496   0.2014472485   0.5766191362
C   -1.8009415124  -0.3253355610  -0.3986289877
C    0.6907692415  -0.2623715074   0.2261853278
C   -0.7717848690   1.7276495089   0.6031183850
C    1.6446037662  -0.2914087784   1.2427478662
C    1.0842220183  -0.6362678332  -1.0553368815
C   -0.4826088972   2.5060023336  -0.5115465821
C   -1.0811224622   2.4200061143   1.7730762043
C    2.9503281469  -0.6843370780   0.9974046412
C    2.3856972276  -1.0398302360  -1.3199069222
C   -0.4843286037   3.8855850044  -0.4973952683
C   -1.0890577377   3.8070925765   1.8176407383
C   -1.6649113326  -2.5149848395  -1.6130253697
C    3.2975455818  -1.0562787688  -0.2861149946
C   -0.7891508782   4.5438668255   0.6834106357
C   -1.6286326259  -3.7552894764   0.0426973016
H   -2.7785763252  -0.0194525312  -0.0248576600
H   -1.7021285302   0.0773481883  -1.4024207250
H    1.3742105545  -0.0050597302   2.2497623701
H    0.3938849365  -0.6231976667  -1.8859241689
H   -1.3154735798   1.8704707194   2.6716497482
H   -1.1882054313  -1.1916483297   1.8391205279
H    3.6818051673  -0.7033499520   1.7944144097
H    2.6781593939  -1.3341387623  -2.3189579952
H   -0.2475618079   4.4302063436  -1.4016347767
H   -1.3299617165   4.3085052173   2.7449104577
H   -1.6653364041  -2.1002221548  -2.6082393750
H   -0.7914432988   5.6248632857   0.7103750356
H   -1.5804059337  -4.6375108982   0.6607142522
*