! 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  -4.4714756066   2.0074911848  -0.4204933976
F   -0.9513029469  -2.7367242776   0.3048328904
F    0.0866427285  -1.4898470702   1.7134501450
F   -2.0145623589  -1.8464731218   1.9436937108
O    1.3961517446   2.0281476682  -0.0006403817
N    2.9624850087  -1.1308639048  -1.0282810047
N    0.7514171176  -0.6754135455  -0.9052196984
N    3.9499419679  -3.0548593993  -1.4694099570
C    1.9224673891  -0.2230414620  -0.7836504154
C    2.4025310486   1.1674640901  -0.4205027085
C    1.0756478763   1.9265837301   1.3774289860
C   -0.4378468973   0.0150131415  -0.7650110339
C   -0.1290951465   2.7934002291   1.6701282941
C   -1.3744171202  -0.4282829451   0.1780394744
C   -0.8006281396   1.0465406353  -1.6300494556
C   -2.6115758759   0.1942240993   0.2915323240
C    4.3176386237  -0.8717284417  -1.1027902788
C   -0.5614251323   2.6649259825   3.1220968722
C    2.8110299876  -2.4703090162  -1.2607957800
C   -1.0615758712  -1.6187336335   1.0335157521
C   -2.0376075540   1.6519189818  -1.5366919521
C   -2.9310637013   1.2328809346  -0.5624482793
C    4.8987491814  -2.0637818683  -1.3774511899
H    2.8674394035   1.5968254055  -1.3138173359
H    3.1938770662   1.0738714486   0.3341479741
H    1.9343672644   2.2456435346   1.9826045635
H    0.8639977296   0.8886845245   1.6562731921
H    0.1040486947   3.8360964048   1.4400707643
H   -0.9537436452   2.4997515908   1.0166362584
H   -0.1055031361   1.3714720119  -2.3921384806
H   -3.3298378938  -0.1293449391   1.0311818900
H    4.7456154670   0.1065813872  -0.9720811818
H   -0.8523599182   1.6400979242   3.3601289438
H    0.2378802151   2.9498663849   3.8082671946
H   -1.4179927499   3.3048417784   3.3326160667
H    1.8460859266  -2.9484859295  -1.2477972784
H   -2.2963837523   2.4544867415  -2.2135838253
H    5.9485548446  -2.2656019385  -1.5148277574
*
