! 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  -3.1687850062  -0.1975595309  -0.1406802146
F    2.0785176983  -3.8670712853   0.5459891130
O   -0.6802378962   1.7844805699   1.0004673524
N    1.7623305539   2.0514051853  -0.5571305754
N    2.7394891677   1.3468453332  -1.1352041984
N    3.4738774851   2.2846737763   0.7652586410
C   -1.8374512646   0.9088734389  -0.9382552848
C   -0.4976831451   1.0873241488  -0.2148153606
C    0.4071600581   2.0019316884  -1.0565813560
C   -2.7283227609  -2.0258514775  -0.2114132155
C   -4.7361552806   0.1079678910  -1.1366596614
C   -3.4853211895   0.2578039195   1.6645202573
C    0.2006794485  -0.2466323720   0.0057027450
C    0.3883200741  -1.1230176809  -1.0619837166
C    0.6901361069  -0.6137123022   1.2532448171
C    1.0204476071  -2.3422049103  -0.8922111440
C    1.3216308513  -1.8365781867   1.4472297028
C    2.2123127542   2.5909598536   0.5761095245
C    1.4715706024  -2.6809138200   0.3691595630
C    3.7380785742   1.5209085786  -0.3104614524
H   -2.2806789319   1.8994626327  -1.0927228212
H   -1.6698715607   0.5105521888  -1.9438634314
H   -0.0077468012   3.0104555934  -1.0753686744
H    0.4577315730   1.6472638538  -2.0828660833
H   -2.4812581431  -2.3511982714  -1.2232541871
H   -3.5787114312  -2.6244291878   0.1249351997
H   -1.8814844647  -2.2725981206   0.4306175667
H   -4.5900719465  -0.1351089385  -2.1912652927
H   -5.0516233696   1.1519775853  -1.0835169184
H   -5.5647415036  -0.5035047812  -0.7735063915
H   -3.6828484815   1.3220071878   1.8060244249
H   -2.6709191856  -0.0302864480   2.3352136719
H   -4.3668444012  -0.2795200795   2.0219171858
H   -1.2688280438   1.2844534745   1.5758673654
H    0.0351470666  -0.8664600569  -2.0527435704
H    0.5915823372   0.0481336752   2.1026456432
H    1.1569662570  -3.0175342748  -1.7264234045
H    1.6919548094  -2.1182253436   2.4242110195
H    1.6074416385   3.2111980164   1.2163574046
H    4.7059670598   1.0831711894  -0.4990148004
*