! 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  -0.5876937181  -0.5586068860   2.8312515327
F    0.3689915642   0.7035192790  -0.8168734167
F    1.2562767921   2.6412682294  -1.0326137906
F    1.7947322671   1.0751790457  -2.3912233374
F   -2.6933527793   1.9874243950  -1.8428114686
F   -4.5830850537   0.9763317217  -1.6829837217
F   -3.9075395265   2.2567100539  -0.0898254594
O    1.7583483763  -1.7059906482  -1.4551416056
N    1.4362722046  -2.2886014039   0.7130206205
N   -2.1736088457  -2.0942173455  -0.4531466897
C   -0.8029374024  -3.2060674782   1.1830994317
C    0.5487189368  -3.4076910898   0.4982107702
C   -1.5040439167  -1.9788453491   0.6910708460
C    2.8019903389  -0.3929881569   0.2334164229
C    1.9375686630  -1.5163159788  -0.2603658394
C    2.6323701906   0.9306857338  -0.1882183734
C   -1.4644741228  -0.7525963595   1.3546010369
C   -2.8209150689   0.1909270036  -0.3459152337
C   -2.1294461337   0.3445678247   0.8419757962
C    3.8451059907  -0.6970686076   1.1008516886
C    3.5039366375   1.9137804863   0.2618653543
C   -2.8062614523  -1.0513536221  -0.9617506093
C    1.5142453552   1.3299376619  -1.1085412765
C    4.7164517103   0.2877618909   1.5415809437
C    4.5457319217   1.5942613219   1.1203885302
C   -3.5059941795   1.3526995348  -0.9875938797
H   -1.4205729783  -4.0764278941   0.9600457744
H   -0.6679831850  -3.1815067266   2.2644051311
H    1.0043917038  -4.3190877551   0.8871062644
H    0.4151427591  -3.5446167825  -0.5719536279
H    1.6236103698  -2.0295006736   1.6688896806
H   -2.0973996928   1.2919549444   1.3631627179
H    3.9970342702  -1.7181730792   1.4249834900
H    3.3813922643   2.9426382844  -0.0454912045
H   -3.3273144000  -1.2227761990  -1.8956446126
H    5.5249042159   0.0284713336   2.2111932702
H    5.2163745744   2.3715706306   1.4593088387
*