! 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    1.1009176626   2.3522291065  -0.9126705123
F    1.6914288111  -3.4161056133  -1.6145415661
F   -0.0424300291  -2.1463303720  -1.5672160059
F    0.3776235290  -3.4509621052   0.0912371309
O    0.8887639669   3.7324799307  -0.5284590650
O    0.9806306340   2.0012938052  -2.3167696462
O    0.4843196942   2.0628027275   1.9413267816
O   -5.0225517578  -1.8954403849   1.8081634671
N   -0.0327367744   1.3804009718  -0.1597747997
N   -1.2712105412   0.6705946964   1.6812689334
N   -2.2376406344  -0.0700817226  -0.3006706993
N   -3.1405584085  -0.6156077541   1.8019315944
N   -4.1764737991  -1.3798354693  -0.1762242247
C    3.1336379926   0.5072374200  -0.4572114308
C    2.3966349742  -0.6015597857  -1.1616566048
C    2.6520923559   1.8050681519  -0.2504268450
C    1.7592704409  -1.5574950268  -0.1510331027
C    4.3861380090   0.2120680691   0.0758297099
C    3.3836833317   2.7577524995   0.4512659062
C    0.9509510197  -2.6405771673  -0.8090156308
C    5.1262613309   1.1513911886   0.7747014058
C    4.6252949232   2.4299726402   0.9639583175
C   -0.2258807937   1.4271856642   1.1934557722
C   -2.2454199775  -0.0276962671   1.0201126686
C   -3.2361147969  -0.7608247367  -0.8604717829
C   -4.0768219284  -1.2732524712   1.1482927360
C   -3.2764011243  -0.8090816190  -2.3432622621
C   -5.0292297477  -1.8424121208   3.2357334653
H    1.6514734569  -0.2186348944  -1.8527899231
H    3.1193134358  -1.1465431377  -1.7708253772
H    2.5273502982  -2.0325971370   0.4620192825
H    1.1039617873  -1.0192920798   0.5347644685
H    4.7912275253  -0.7817383447  -0.0695680262
H    2.9934923091   3.7533677617   0.6016362536
H    6.0967368327   0.8833055617   1.1697579563
H    5.1935907115   3.1715676530   1.5075213645
H   -0.7198346938   0.8683506221  -0.7326710927
H   -1.3559630061   0.6853984474   2.6900082120
H   -2.3770653609  -1.2877279086  -2.7311506572
H   -4.1461828943  -1.3536156766  -2.6980723153
H   -3.2989290942   0.2023290101  -2.7496430100
H   -4.1386092442  -2.3080883309   3.6548379604
H   -5.9068627290  -2.4026622422   3.5437153430
H   -5.1104401135  -0.8181692996   3.5961202626
*