! 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  -1.0628467106  -0.2517601502  -2.4089258058
Cl  -2.8115499624   3.6329257592   0.8093981686
F    2.8525538245   0.9549189846   1.3456793905
F    4.2328040318  -0.5364990219   0.6186922979
F    4.7205337681   1.9274781168  -0.3648949609
F    2.6875537251   2.0694475032  -1.1524960760
O    2.1736777164  -0.4603483059  -0.2450278804
N   -1.8832631324  -2.9508690852   0.5086571933
N   -2.1015656612  -3.7000484441  -0.5746560273
N   -4.0199004593  -2.7833320951   0.1447790860
C    0.1308935783  -1.5922740020   0.1556663549
C   -0.5461211063  -2.6878467647   0.9835643177
C    1.5821481663  -1.4649431448   0.5885252030
C   -0.5988641379  -0.2774381400   0.2761421267
C   -1.1729118475   0.3882262306  -0.8023060332
C   -0.7290088736   0.3224819765   1.5271244512
C    3.1940414656   0.2515708734   0.2362482226
C   -1.8557492262   1.5876943666  -0.6521546020
C   -1.4010459978   1.5165497460   1.7125526917
C   -3.0284333072  -2.4022988560   0.9138371552
C   -1.9627630026   2.1398671115   0.6105476383
C    3.6833922885   1.2072844166  -0.8506133430
C   -3.3909075835  -3.5709053152  -0.7465001547
H    0.1301912616  -1.9264198008  -0.8829217326
H    0.0227408859  -3.6144749788   0.9215023047
H   -0.6098484301  -2.4150101462   2.0367550940
H    1.6555695621  -1.2042783372   1.6464068687
H    2.1023656900  -2.4120235630   0.4355622664
H   -0.2948985448  -0.1582198726   2.3948677844
H   -2.2933890954   2.0795654475  -1.5095091447
H   -1.4827858211   1.9492200316   2.6995365807
H   -3.0980267620  -1.7549046634   1.7740865413
H    3.9954626540   0.6761994654  -1.7506894400
H   -3.9042786626  -4.0755949383  -1.5500406713
*