! 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  -1.5310246554  -0.3833735926  -2.3910552987
Cl  -4.8244925788   2.9598016800   0.1535892598
F    3.5709972659   0.4817682947  -1.5196214925
F    4.1010402611   1.6402688201   0.2239740618
F    4.6509646295  -1.7781619637  -0.3337855814
F    5.2110307700  -0.5679047711   1.3965737923
O    2.6888013273  -0.0736917962   0.4532504812
N   -0.9668260982  -2.1556357199   0.8772863575
N   -2.1062006888  -1.9734635217   1.5497661115
N   -2.4015371524  -3.4603487473  -0.1053789055
C    0.3133548317  -0.1983047202   0.1212090339
C    0.2095573622  -1.3524532920   1.1261715388
C    1.4891585573   0.7180631687   0.4332464922
C   -0.9671948619   0.5978223252   0.0898260056
C   -1.8592231464   0.5680992045  -0.9789723105
C   -1.3285347519   1.3747067107   1.1889011991
C    3.7678376978   0.3877595811  -0.1786804989
C   -3.0469624972   1.2853951937  -0.9712473777
C   -2.5014836404   2.1057295000   1.2273189332
C   -1.1636208525  -3.0298201189  -0.1092829930
C   -3.3531844700   2.0532511032   0.1369376246
C    4.9657916072  -0.5271303068   0.0680165492
C   -2.9280666899  -2.7776209171   0.9276426758
H    0.4957529219  -0.6297717705  -0.8646649900
H    1.0832768641  -1.9982898167   1.0597767489
H    0.1465122129  -0.9863496914   2.1497669138
H    1.5360827440   1.5089262515  -0.3165697605
H    1.3913037999   1.1884046151   1.4124527899
H   -0.6814353722   1.4106110173   2.0559071888
H   -3.7182150341   1.2427265049  -1.8173668154
H   -2.7445762449   2.7000568260   2.0965823241
H   -0.3829402554  -3.3327090371  -0.7891672115
H    5.8572282147  -0.1853760403  -0.4588502857
H   -3.9556084002  -2.8817247008   1.2388862723
*
