! 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    3.8942361251   1.9326383003   1.4251850112
F   -4.2040762154  -2.3544721852   0.0426070025
F   -2.6741897656  -2.1905070874  -1.5104656592
O   -2.4778548821   0.7149286920  -2.5186145083
N   -0.4032443122   1.3971877131  -1.9930835831
N   -1.9241985007   0.2796673082   1.8920026117
N   -2.7653589463  -0.6488945659   1.4471945457
C    2.8924871061  -0.8274856738   0.7914934890
C    2.2944316587  -1.7843450688  -0.2548626495
C    1.0483566728  -1.1032270558  -0.8378939986
C    2.4368504493   0.5075005932   0.2435911717
C    1.3696818708   0.3618054596  -0.6436595329
C    2.2467692196  -1.0435710302   2.1645352686
C    4.4040140848  -1.0070834424   0.8905085704
C    0.7779585109  -1.5573396353  -2.2665346752
C    0.7376178207   1.4888429164  -1.1631278814
C    2.8818511350   1.7754887944   0.5550841592
C    1.2350590411   2.7527381978  -0.8577352959
C    2.3163228982   2.9049313177  -0.0063380679
C   -1.5988006423   0.8595118354  -1.6730327572
C   -1.8404840764   0.4598052732  -0.2807042532
C   -2.7342628761  -0.5468133238   0.1371443766
C   -1.3388645887   0.9636181736   0.9045944703
C   -3.5266622487  -1.4657135736  -0.7262985893
C   -1.7209056896   0.4580462685   3.3112000254
H    2.0739865812  -2.7681261622   0.1630401414
H    3.0225055387  -1.9307055331  -1.0595413381
H    0.1749869273  -1.3544817679  -0.2245414937
H    2.5925593361  -0.3030582267   2.8875912021
H    1.1576060802  -0.9734616856   2.1174248392
H    2.4992230592  -2.0316903655   2.5542421038
H    4.9006892848  -0.7372607655  -0.0427598501
H    4.8447074035  -0.4177690946   1.6935470411
H    4.6354266072  -2.0542950220   1.0950538420
H    0.7609474809  -2.6476960393  -2.3049379175
H    1.5645881108  -1.2169568485  -2.9417484528
H   -0.1754806891  -1.2130989672  -2.6606084102
H    0.7580167659   3.6299294422  -1.2747123346
H    2.6955592272   3.8884830565   0.2370876555
H   -0.3257538687   1.7613930630  -2.9336145733
H   -0.6452425939   1.7619948730   1.1096986429
H   -4.2373204479  -0.9576124250  -1.3747714371
H   -0.8963368881   1.1463443085   3.4657858957
H   -2.6142220857   0.8669806471   3.7771199826
H   -1.4784182026  -0.4943709736   3.7740444305
*