! 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  -6.0729454961  -1.0497479152   1.9306376649
F    1.4096340997  -2.6646026306   1.1031645780
F    3.3371506033  -2.0277599551   0.4613490746
F    2.2292537304  -0.8851719073   1.9363965221
O    3.9875330637   0.5577437303   0.4856000838
O   -1.7659943155  -1.0155939253  -2.0429238045
N    2.2180750193   2.8751067890   0.0003264978
N    2.2006072875   2.5724933774   1.3049036561
N    0.2361653628   3.4478647095   0.6872341050
C    3.4586123143   0.8871121085  -0.7736193148
C    2.0998820569   0.2299701783  -1.0606208568
C    3.3039979867   2.4265555817  -0.8389672846
C    4.4791638360   0.4503768997  -1.8176839971
C    1.4746582975  -0.7926418138  -0.3260595921
C    1.4099040763   0.7192391912  -2.1707193822
C    0.1795796617  -1.1918184159  -0.6515463266
C    0.1302378629   0.3219623167  -2.5048417450
C   -0.4962892174  -0.6178780380  -1.7125326850
C    2.1271943574  -1.5721531212   0.7923074161
C    1.0356845580   3.3758808173  -0.3517024541
C    0.9974462185   2.9371648702   1.6699055963
C   -2.7333954681  -1.0022864122  -1.0722546075
C   -2.7604809536  -0.0530986363  -0.0580743212
C   -3.7330117115  -1.9597430975  -1.1675273776
C   -3.7913660242  -0.0710263051   0.8685067927
C   -4.7678316208  -1.9713521714  -0.2468055332
C   -4.7868451962  -1.0297207950   0.7698709027
H    4.2350655350   2.8844732867  -0.5040944007
H    3.1153911772   2.7891632476  -1.8458263821
H    5.4277216005   0.9681119212  -1.6673533135
H    4.6597157692  -0.6222058976  -1.7488409889
H    4.1334975707   0.6669162581  -2.8273060714
H    1.8758021008   1.4603622333  -2.8060417540
H   -0.3165712338  -1.9663207771  -0.0841628324
H    3.5029894912   1.0591849430   1.1610148616
H   -0.3708388179   0.7478795392  -3.3637490375
H    0.8076697127   3.6917918778  -1.3568878672
H    0.6608542760   2.8315956969   2.6889856523
H   -1.9953064562   0.7087675553   0.0204030157
H   -3.7069273349  -2.6946392506  -1.9612326388
H   -3.8131520177   0.6683579980   1.6569624812
H   -5.5457612591  -2.7182093364  -0.3238140085
*