! 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  -2.1346211923  -0.3971181353  -2.1382618705
Cl  -4.8416543205   3.2040210356   0.7256164675
F    4.1434446365   1.4563610660   0.5652226556
F    3.4969559415  -0.3315341313   1.5862136946
F    4.3769816581  -1.8771115309  -0.5005409145
F    5.9046043793  -0.5878248235   0.3807392658
O    2.5828761161   0.1735290706  -0.3877877646
N   -0.8183767040  -2.1384987188   0.4871342553
N   -2.0463235492  -1.9992367333   0.9921444936
N   -1.9878946078  -3.6993091125  -0.4724442422
C    0.2082349568   0.0195402880  -0.1442255513
C    0.2471193707  -1.2082100426   0.7742354315
C    1.4331348290   0.8980168822   0.0805463890
C   -1.0594523181   0.8132076567   0.0503209432
C   -2.1600815157   0.6969470673  -0.7957426354
C   -1.1887394901   1.6837100740   1.1305863642
C    3.6964250672   0.1946614312   0.3499416073
C   -3.3238969049   1.4251562579  -0.6026298836
C   -2.3364781669   2.4239299018   1.3541689758
C   -0.8052104619  -3.1416202376  -0.3902939767
C   -3.3968181779   2.2891742571   0.4750554232
C    4.7845916370  -0.5943717198  -0.3757138971
C   -2.7050255930  -2.9535434394   0.3879157115
H    0.2550473152  -0.3295719279  -1.1782753920
H    1.1847825943  -1.7473242808   0.6469804085
H    0.1742229807  -0.9169863833   1.8216069391
H    1.3502067547   1.8162689576  -0.5012009672
H    1.5432963438   1.1714446821   1.1311657581
H   -0.3744794583   1.7940199765   1.8349839042
H   -4.1585970544   1.3145211372  -1.2805191929
H   -2.3967986089   3.0914098733   2.2019259244
H    0.0819984194  -3.4363523934  -0.9286837900
H    5.0036559921  -0.1797746294  -1.3596687215
H   -3.7511761117  -3.1264437231   0.5864763708
*
