! 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
Si  -3.4424464050   0.7766133500  -0.2615038803
F    3.2514927171  -3.9835657834   0.1379424139
O   -0.7115191617   0.6965302804   1.5800084665
N    1.2308487534   1.6899540071  -0.4687115206
N    1.6390574683   2.1223015111   0.7294987442
N    3.3907582396   1.8596542694  -0.6405706832
C   -1.9339770601  -0.3796738333  -0.1317258157
C   -0.5677284851   0.1717502008   0.2796859325
C   -0.1416972814   1.2965187181  -0.6851057403
C   -3.3715268114   1.8165204570  -1.8344386082
C   -3.6503440650   1.9104683811   1.2244957543
C   -4.9277992580  -0.3767559017  -0.3809558811
C    0.4727061997  -0.9470665419   0.2523795127
C    0.8532235452  -1.5280580056  -0.9574058533
C    1.0546564070  -1.4250103214   1.4207662859
C    1.7879091883  -2.5492721370  -1.0080444590
C    1.9918478680  -2.4505046849   1.3926254361
C    2.2845641613   1.5228981080  -1.2631148599
C    2.3440672333  -2.9931076962   0.1759963923
C    2.9363110595   2.2117296264   0.5734986829
H   -1.8442054406  -0.8882406349  -1.0969667422
H   -2.1991690730  -1.1692473060   0.5801779360
H   -0.7803824001   2.1685817712  -0.5415205809
H   -0.2337105685   0.9921124576  -1.7261901340
H   -3.1365596972   1.2067545468  -2.7093497507
H   -2.6337207948   2.6191274474  -1.7866843488
H   -4.3399515224   2.2874111839  -2.0192304883
H   -3.6832585741   1.3533557216   2.1619628947
H   -4.5869745990   2.4668920216   1.1426883266
H   -2.8434576824   2.6399413858   1.3021266521
H   -5.0293765054  -0.9955587889   0.5131487022
H   -4.8458556721  -1.0511202059  -1.2361289510
H   -5.8577836066   0.1838575234  -0.4969676938
H    0.0818163990   1.2124251185   1.7899956907
H    0.4165466753  -1.1940829838  -1.8907992384
H    0.7824582117  -1.0078968842   2.3800178720
H    2.0755158043  -2.9910057725  -1.9528956871
H    2.4376014032  -2.8157703207   2.3085237302
H    2.2023962817   1.1765396091  -2.2809199996
H    3.5781586255   2.5497979392   1.3716163262
*
