! 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 "1-OCTANOL"
end
*xyz 0 1
Si  -3.2417052249  -0.0016871746   0.0322236319
F    2.3028584965  -3.9557250832   0.1532820954
O   -0.7454534472   1.5029292833   1.0292181573
N    1.7521619287   1.9859146149  -0.5148109574
N    1.9564832821   2.3754081925   0.7468478072
N    3.8802357066   1.7247593273  -0.1823734397
C   -1.8169934609   0.7952835398  -0.9467942902
C   -0.4748967040   0.9432941868  -0.2338434790
C    0.4127386618   1.9082445218  -1.0510122227
C   -2.7297921994  -1.5597939832   0.9549091880
C   -4.5359077615  -0.4659123254  -1.2609623351
C   -4.0271875027   1.2207901539   1.2292625533
C    0.2503291574  -0.3947495143  -0.1127511415
C    0.5300478363  -1.1502620632  -1.2504579112
C    0.6884285688  -0.8760041902   1.1153331718
C    1.2179204257  -2.3508921844  -1.1735939293
C    1.3796748884  -2.0760973943   1.2156834208
C    2.9052777084   1.5930213856  -1.0530673022
C    1.6327888442  -2.7940909048   0.0667090990
C    3.2464867533   2.2025723344   0.9021649670
H   -2.1667784075   1.7865908443  -1.2613463873
H   -1.6865211224   0.2300796137  -1.8732134679
H   -0.0303964288   2.9057960919  -1.0522477396
H    0.4930191565   1.5800000722  -2.0857892507
H   -3.6145954804  -2.0642928997   1.3527656408
H   -2.0720881360  -1.3472169954   1.7981514559
H   -2.2142265514  -2.2725746192   0.3085489454
H   -5.4332282724  -0.8817851370  -0.7964228225
H   -4.1606300426  -1.2133906738  -1.9638546650
H   -4.8503861371   0.4005372172  -1.8478474131
H   -4.9047178659   0.7809954766   1.7111573158
H   -4.3625629061   2.1237981865   0.7138015446
H   -3.3398030262   1.5302370447   2.0177678413
H    0.0750485211   1.8703478019   1.3947740670
H    0.2136440749  -0.8114666577  -2.2297820223
H    0.4875307588  -0.3269544310   2.0244371653
H    1.4282211632  -2.9279904476  -2.0645969633
H    1.7143944751  -2.4415069199   2.1779288850
H    2.9866568084   1.2290058137  -2.0650447060
H    3.7446486497   2.4344971317   1.8306019022
*