! 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   -1.3654071718   1.0282590805  -0.4789743037
F   -3.5781629503   1.4802573395   2.3140271220
F   -4.0534388235   1.8737327898   0.2514575947
F   -5.4186559875   0.7672378204   1.4765343359
O   -1.1662781279   1.9383522833   0.6323966043
O   -2.0105760415   1.4760655978  -1.6925218376
O   -0.3017990556  -0.5802893884  -2.8138141893
O    6.2047474148  -1.2342186491  -0.9912444281
O    3.4387716399   1.0321724249   1.9670618259
N    0.1394291992   0.4598692672  -0.8238880157
N   -1.6468525229  -1.5539239075  -0.1443819281
N    1.7811721269  -0.7051332098  -1.9670898379
N    3.9873073374  -0.9780478552  -1.4854271848
N    2.5895572876   0.1748828478   0.0254145947
C   -2.2477236068  -0.4235377274   0.1383918628
C   -3.4539114798  -0.3331112921   0.8315585439
C   -4.0324282361  -1.5317246774   1.2277114065
C   -4.1257109072   0.9557845618   1.2161089656
C   -3.4088844782  -2.7283084780   0.9245703033
C    0.4691666499  -0.2938865305  -1.9266486752
C   -2.2112376558  -2.6924227879   0.2373936285
C    2.8266602399  -0.4862524369  -1.0946451981
C    5.0089334138  -0.7751340537  -0.6649939934
C    3.6239042520   0.3714728411   0.8376609238
C    4.8927090353  -0.0920959067   0.5400731372
C    6.3727135939  -1.9180620772  -2.2312946354
C    2.1339946215   1.5189201872   2.2762257997
H    0.8818951349   0.5862480429  -0.1150785115
H   -4.9651042038  -1.5440614965   1.7729706778
H   -3.8449611610  -3.6705733954   1.2205922749
H   -1.6849931877  -3.6027323052  -0.0166108598
H    2.0202658564  -1.2300841381  -2.7980346178
H    5.7347574398   0.0685906298   1.1967117733
H    6.1214240143  -1.2820338338  -3.0790231913
H    7.4263289176  -2.1777369194  -2.2803973962
H    5.7772863629  -2.8291235678  -2.2733533222
H    1.4138161780   0.7062863632   2.3717418379
H    1.7885336811   2.2401317880   1.5355157509
H    2.2268721057   2.0194618618   3.2355682499
*