! 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  -1.7445755657  -3.1092719577  -1.2709437403
F    1.0991186944  -0.2626849531  -1.0481678382
F    1.9405220659   1.1047202301  -2.4722164613
F    2.9986431292  -0.6911891283  -1.9665374230
F   -4.2752633622   1.4440412845  -1.7871352223
F   -5.0879378881   1.4645361840   0.2027479417
F   -3.4398935303   2.7489739184  -0.2927049693
O    2.9001093680  -1.8878531154   0.8089093802
N    1.4037736244  -0.8267497435   2.1366735302
N   -1.4264396875  -0.3402569705   1.5194542691
C   -0.2701894180  -2.4729482225   1.3283793217
C    0.6135921123  -1.9929299867   2.4695358196
C   -1.2409359347  -1.4519200298   0.8174000963
C    3.0008417655   0.4838604801   0.9419944709
C    2.4233226736  -0.8610767626   1.2738679733
C    2.9493622693   1.0208059209  -0.3469612255
C   -1.9525680096  -1.6539749332  -0.3678256836
C   -2.9909714843   0.4571767943  -0.0847985178
C   -2.8356505191  -0.7000888329  -0.8305078279
C    3.6513080917   1.1871108476   1.9472789138
C    3.5513020116   2.2442146326  -0.6095623939
C   -2.2677022746   0.5863323100   1.0896911327
C    2.2489618790   0.2930482707  -1.4564278205
C    4.2610369160   2.4036918150   1.6779578551
C    4.2101220222   2.9316010283   0.3993266008
C   -3.9470248222   1.5287116593  -0.4964237649
H    0.3524185458  -2.8288877147   0.5056555104
H   -0.8267405869  -3.3515540632   1.6699230055
H    0.0176415101  -1.7417321216   3.3433234578
H    1.2743618832  -2.8077518810   2.7632167022
H    1.0028117558   0.0704205471   2.3581206730
H   -3.3794615968  -0.8645457541  -1.7506756522
H    3.6966365579   0.7755302319   2.9468343473
H    3.5125623489   2.6794335281  -1.5981856684
H   -2.3610692314   1.4670260167   1.7137083184
H    4.7717692335   2.9351618052   2.4692577426
H    4.6769129715   3.8819617913   0.1805610363
*