! 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  -1.4772476933   1.2054993519  -2.9492908318
Cl  -5.0433414151   2.6960081114   0.7407718229
F    3.7566474857   0.5767462165   1.6567198681
F    3.2074300555  -1.5080164607   1.5353769852
F    5.1400211377   0.3616705076  -0.7156595744
F    4.5757785951  -1.7454169532  -0.8402954140
O    2.5319786501  -0.1169165867  -0.0763488485
N   -0.7029433976  -2.0726652522   0.0020335164
N   -2.0347706910  -2.1635378990  -0.0312912677
N   -1.2359473340  -3.0898622335   1.8497406707
C    0.2428986241   0.1382860352  -0.6393947127
C    0.0299017709  -1.3399032509  -1.0038344394
C    1.2798995622   0.3404898122   0.4560599016
C   -1.0641217666   0.8043729492  -0.2930135392
C   -1.9165293060   1.3048784067  -1.2753156231
C   -1.5043016517   0.9003325623   1.0249211698
C    3.5138253419  -0.4220114513   0.7742508175
C   -3.1370348175   1.8879692213  -0.9753828619
C   -2.7180014946   1.4756372173   1.3601404347
C   -0.2463215782  -2.6215109394   1.1291961064
C   -3.5250054649   1.9682722998   0.3504917096
C    4.8042718047  -0.7245396147   0.0149317533
C   -2.3025649071  -2.7792196084   1.0902110987
H    0.6489700653   0.6096708371  -1.5379637027
H   -0.5294326664  -1.4175441336  -1.9332518733
H    0.9855998041  -1.8357785276  -1.1676848475
H    1.3541729328   1.4006210259   0.7036230482
H    1.0302862192  -0.2019424512   1.3704000575
H   -0.8947115272   0.5168595279   1.8324101513
H   -3.7704716414   2.2708148306  -1.7631290053
H   -3.0229035079   1.5332896583   2.3953485442
H    0.8028481076  -2.6841056824   1.3713919262
H    5.6230272990  -0.9829385451   0.6870919732
H   -3.3152317127  -3.0227677434   1.3704244391
*
