! 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  -0.7674801187   1.7425553306   1.7256896033
Cl  -5.0762839010   2.3592069766  -1.3434598758
F    4.1026633273   1.1829115739  -0.8040885917
F    3.6599365775   0.6537063597   1.2390213943
F    5.9842257614  -0.3986739725   0.2796414127
F    4.8823984237  -1.4539191280  -1.2832416520
O    2.5621741787  -0.3825218844  -0.4093481940
N   -1.0479121654  -2.0521498315   0.9622822736
N   -1.3677640071  -3.0077601497   0.0870764536
N   -3.1256900654  -2.5225058127   1.3946129447
C    0.1894104674  -0.4441925997  -0.4043689746
C    0.1939022198  -1.3269731131   0.8541003721
C    1.4057473536   0.4690655111  -0.4746645561
C   -1.1062579027   0.3149179031  -0.5867582267
C   -1.6136268693   1.2821395066   0.2806867369
C   -1.8956393517  -0.0007969550  -1.6915668520
C    3.7239519944   0.1457116453  -0.0188557743
C   -2.8263806765   1.9162739648   0.0584258100
C   -3.1117801316   0.6095069769  -1.9425024488
C   -2.1079541856  -1.7615277667   1.7158160672
C   -3.5652737232   1.5725659252  -1.0592168601
C    4.7901156912  -0.9486740452  -0.0327036395
C   -2.6153625348  -3.2571757151   0.3901181557
H    0.2607055546  -1.1209455019  -1.2596806018
H    1.0091724793  -2.0451359325   0.8052781600
H    0.3222254860  -0.7515550803   1.7682487636
H    1.4048166905   1.0103741159  -1.4216138645
H    1.4159757502   1.1940336217   0.3380734056
H   -1.5427650544  -0.7536254421  -2.3840168771
H   -3.1873748414   2.6627540861   0.7519615216
H   -3.6916605382   0.3320710018  -2.8113295323
H   -2.0871477136  -1.0180159449   2.4970353571
H    4.5606990376  -1.7494518333   0.6709834559
H   -3.1805813646  -4.0128736087  -0.1322094521
*
