! 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
Cl  -4.7245160983   1.8489613299  -0.3177016033
F   -1.0629878492  -2.9708987855  -0.1649903836
F   -0.3594843574  -1.8735108056   1.5452440423
F   -2.4277111377  -2.4341747944   1.4017869499
O    2.3910518212   1.6549262516   0.4018163448
N    2.7547113926  -1.0692163867  -0.5894259111
N    0.5426046036  -0.7188450054  -0.9924000924
N    4.1405782597  -2.4864695692  -1.5605800810
C    1.5558349879  -0.4190540801  -0.2969414645
C    1.6003068021   0.5775001749   0.8305683611
C    2.6639873753   2.5967123495   1.4279759686
C   -0.6859698023  -0.0979635668  -0.7828705741
C    1.4536817524   3.4050234653   1.8629340647
C   -1.6816072424  -0.7035429064  -0.0085680557
C   -0.9648410700   1.1134885895  -1.4086237433
C   -2.9238278494  -0.1013076094   0.1344762123
C    3.9904595840  -0.8808246778   0.0014110073
C    0.7621260601   4.1265418754   0.7166172478
C    2.9190142600  -2.0551469705  -1.5249452398
C   -1.3885636716  -1.9957921255   0.6890073143
C   -2.2010699394   1.7179381976  -1.2679527941
C   -3.1737870343   1.1037828961  -0.4973436514
C    4.8191400047  -1.7589051163  -0.6095599211
H    2.0130996394   0.0972882962   1.7283078318
H    0.5804423667   0.8846814209   1.0777680552
H    3.4241751261   3.2626706913   1.0156115214
H    3.1073423468   2.0889089797   2.2942452139
H    0.7374389219   2.7743049421   2.3968874295
H    1.8110484464   4.1312999605   2.5973967035
H   -0.2055453797   1.5830445276  -2.0192480668
H   -3.6958811409  -0.5590793216   0.7363057102
H    4.1778568095  -0.1617728394   0.7782454349
H   -0.0406686083   4.7648362442   1.0857607223
H    1.4608515512   4.7605688057   0.1674852062
H    0.3176042642   3.4311165476   0.0032755540
H    2.1057112878  -2.4089696018  -2.1355224068
H   -2.3970404016   2.6619183559  -1.7573543596
H    5.8697759512  -1.9080464861  -0.4214162395
*