! 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  -0.5168550195   0.3836331662   0.6306388004
F    5.1099565921  -0.6864564183  -1.1185135754
F   -3.6288004585  -4.7365605157   0.8421214643
N   -0.7415247706   2.7910387080  -0.8124162727
N    0.0167353778   3.0106925954  -1.8851535265
N    0.0404495820   4.7982728818  -0.5402338129
C   -1.4140180196   1.5244015208  -0.6083994372
C    1.2422067958   0.0821326399   0.0633432275
C   -1.4829751237  -1.2267523581   0.6650426830
C   -0.5292774845   1.1703183303   2.3328681884
C    2.2535498614  -0.1402831825   1.0015843748
C   -0.8682284207  -2.4594224764   0.4385790006
C    1.5877253759   0.0400416721  -1.2898713501
C   -2.8518574985  -1.2236005480   0.9507383498
C    3.5603465825  -0.4026346249   0.6169236304
C   -1.5805542020  -3.6495255346   0.4972193075
C    2.8879515949  -0.2168435217  -1.6990114522
C   -3.5860074005  -2.3985057082   1.0094954210
C   -0.7164700785   3.8607624089  -0.0162584457
C    3.8503353517  -0.4355218254  -0.7326296478
C   -2.9298803117  -3.5932433494   0.7824644154
C    0.4641946616   4.2255703859  -1.6804880864
H   -1.5141773786   1.0446720193  -1.5819306482
H   -2.4321419715   1.7212502855  -0.2651014806
H   -1.5441666884   1.4381122374   2.6344522921
H   -0.1482015808   0.4785081162   3.0868980765
H    0.0823857625   2.0729576891   2.3823712808
H    2.0329254808  -0.1120850632   2.0621066053
H    0.1903969663  -2.5076379279   0.2128262954
H    0.8412303339   0.2142982420  -2.0544636131
H   -3.3732670518  -0.2912600992   1.1370719415
H    4.3357023511  -0.5755352998   1.3520154963
H   -1.0944747920  -4.6011224716   0.3243418130
H    3.1484441879  -0.2437070342  -2.7492144032
H   -4.6456957888  -2.3861838109   1.2295683314
H   -1.2619543856   3.9170424562   0.9131430175
H    1.1166252518   4.7176614408  -2.3852249690
*