! 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   -2.4766024111  -0.4568633264   1.5048841635
F    0.0105339709   2.9382656631   1.4080556658
F    0.3859586271   4.3674377730  -0.1666352277
F    6.8353615952  -1.5188030695  -1.2821201453
F    5.9573290760  -2.0744274853   0.6120137979
O   -2.7572032260   0.9653671400   1.4439391326
O   -2.7937897478  -1.1994822096   2.7047514976
O   -3.6693540535   1.6876424682  -1.6431249598
O   -1.5883448783   0.9201098145  -1.3518633776
O   -0.7520984722  -2.8244940211   1.2440965740
O    1.8659993831   2.8300057842   0.1682101337
O    5.2814347919  -0.2542854266  -0.4776452567
N   -0.8381704429  -0.5591366515   1.2156630604
N    1.1289721750  -1.7030725212   0.7173980914
N    1.4600739941   0.5877730195   0.4484375213
N    3.1968025839  -0.9745660986   0.1362883862
C   -3.2557740303  -1.2476053593   0.1250913084
C   -3.4223628031  -0.5596254292  -1.0779985161
C   -3.7853952982  -2.5151112986   0.3057324224
C   -4.1338988611  -1.1686434008  -2.1010178701
C   -4.4723462970  -3.1196633673  -0.7364399877
C   -4.6473202005  -2.4475617153  -1.9338391417
C   -2.7837476809   0.7619003094  -1.3504954959
C   -0.1993275985  -1.7589730491   1.0723281246
C    1.9479634614  -0.6423254669   0.4226255230
C    2.3051113372   1.5617843973   0.1526733795
C    4.0077961982   0.0189599111  -0.1586663858
C    3.6291813388   1.3512902588  -0.1694763213
C   -3.1731532585   2.9907735297  -1.9748225904
C    0.5067661053   3.0780065995   0.1643801740
C    5.6833255726  -1.5712919040  -0.6038545432
H   -3.6774022344  -3.0335510739   1.2466480642
H   -0.3387165794   0.2992687053   0.9708945636
H   -4.2765646574  -0.6529178009  -3.0408729405
H   -4.8768443411  -4.1127313309  -0.6017150549
H   -5.1895190701  -2.9136333840  -2.7447158546
H    1.5706139930  -2.6115025699   0.6552139503
H    4.3061302541   2.1531839315  -0.4221588547
H   -2.5346399402   2.9587065590  -2.8559581750
H   -2.6260797293   3.4260575163  -1.1391106941
H   -4.0489569632   3.5964635666  -2.1822306789
H   -0.0496632046   2.4539475650  -0.5330781017
H    4.9686944148  -2.2086465273  -1.1199489577
*