! 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
S   -1.2170168956  -1.3644180688  -0.9804581564
F   -2.5418016496  -2.7917215247   2.0507497607
F   -4.5420253393  -2.0196561558   2.0084443569
F   -3.5898852699  -2.6015552386   0.1774410132
O   -2.1482816499  -1.4902627993  -2.0784744847
O   -0.7271222889  -2.5376184334  -0.2842266237
O   -0.7726468215   0.9035996108  -2.9756090801
O    3.4982269432  -0.7815817256   1.3047879341
O    4.9299325077   3.3480451021  -0.2569982727
N    0.1430296501  -0.5768374130  -1.4827789378
N   -1.4350231747   0.9861892691   0.1442080304
N    1.2298336197   1.3906531218  -2.0701251267
N    2.3605592353   0.2709004249  -0.3760282057
N    3.0760817661   2.3720681398  -1.1726084759
C   -1.9101327654  -0.2318123669   0.2518148907
C   -2.8427063523  -0.6206596705   1.2101492145
C   -3.2644195164   0.3596857961   2.0996778113
C   -3.3784085861  -2.0164958930   1.3582752907
C   -2.7661607357   1.6452396025   1.9913841822
C    0.1177066869   0.5971204301  -2.2166179796
C   -1.8533729898   1.9177778908   0.9905253970
C    2.2648843621   1.3319185889  -1.1584800527
C    3.3672717276   0.2527544361   0.4924782428
C    4.0790851709   2.3377972171  -0.3053861819
C    4.2866142930   1.2828866893   0.5757596849
C    2.5422934504  -1.8381715382   1.2384529729
C    4.7274894057   4.4693382525  -1.1150644795
H    0.9583032253  -0.6638983141  -0.8487879585
H   -3.9784167711   0.1324379149   2.8785021085
H   -3.0822164278   2.4204703987   2.6732126148
H   -1.4395003986   2.9088828368   0.8631153109
H    1.2182878211   2.2228705984  -2.6451623044
H    5.1058725685   1.2694991459   1.2792603405
H    1.5397920771  -1.4882680902   1.4860532396
H    2.5395941241  -2.3192547204   0.2603839942
H    2.8528611564  -2.5626642460   1.9857832516
H    4.8049642961   4.1922268066  -2.1657446805
H    5.5212695820   5.1696787400  -0.8710316550
H    3.7636384687   4.9443512079  -0.9362291375
*