! 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   0.1728311315   0.3832354013   1.3346792531
F    5.4025618579  -0.7058617365  -1.3832128646
F   -4.2368191863  -3.3321386060  -0.2964094259
N   -0.9497520979   2.3939943998  -0.2789333493
N   -0.6446310272   1.5763925803  -1.2857653349
N   -1.9472230667   3.2415818841  -2.0109668082
C   -0.4450920861   2.1622835555   1.0550514656
C    1.7903504505   0.0565709197   0.4452639911
C   -1.1688553227  -0.8228635301   0.8213265983
C    0.4549391633   0.2625634100   3.1878240962
C    2.3947284337  -1.2004023924   0.5338690089
C   -1.0433787010  -1.6664169473  -0.2829349830
C    2.4576399829   1.0466308249  -0.2777019322
C   -2.3682390518  -0.8601746609   1.5362077278
C    3.6094277594  -1.4715175103  -0.0800741924
C   -2.0662205237  -2.5229162656  -0.6636705249
C    3.6771619442   0.8039082308  -0.8929445580
C   -3.4115392389  -1.6976979695   1.1682839019
C   -1.7274480638   3.3819523814  -0.7237020274
C    4.2280578166  -0.4573272032  -0.7840256202
C   -3.2359478952  -2.5168567193   0.0706098843
C   -1.2625495753   2.1199776218  -2.3045942928
H   -1.2485148686   2.3558226729   1.7695241493
H    0.3463303407   2.8813962781   1.2849200624
H    1.1810592662   1.0065205488   3.5230389777
H   -0.4627188694   0.4245357512   3.7575395029
H    0.8417836843  -0.7189800084   3.4695539031
H    1.9172843828  -2.0014446099   1.0872533661
H   -0.1347066453  -1.6612828153  -0.8719495660
H    2.0324942456   2.0369517949  -0.3783795459
H   -2.5138942294  -0.2228288566   2.4013393057
H    4.0644164343  -2.4511231347  -0.0116318070
H   -1.9580953906  -3.1761097283  -1.5199269430
H    4.1850688742   1.5806309050  -1.4498576917
H   -4.3402732291  -1.7118600120   1.7237926575
H   -2.1025850014   4.1657343868  -0.0838441234
H   -1.2173179382   1.6916731112  -3.2944024774
*