! 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  -0.0333333189   0.3236537622   1.4748881119
F    4.8847965304  -0.3000753344  -1.8838942694
F   -4.2992028916  -3.6393012292   0.0320603784
N   -0.5644158827   2.4107310815  -0.3068671646
N    0.4915440874   3.0570670466  -0.7967081985
N   -0.8979426792   2.4793553268  -2.4516776250
C   -0.6571328932   2.0917138967   1.1024648836
C    1.5033282796   0.0478373466   0.4384856465
C   -1.3706018283  -0.9005280323   0.9770579794
C    0.3465389832   0.2151769833   3.3057604978
C    1.4171787202  -0.2703209385  -0.9196107373
C   -1.0442168719  -2.1952188973   0.5633215217
C    2.7751247477   0.2387929959   0.9825314586
C   -2.7261489480  -0.5722737069   1.0671362946
C    2.5485757057  -0.3902071009  -1.7119691219
C   -2.0213405371  -3.1268981380   0.2440224071
C    3.9226839214   0.1239332315   0.2108892979
C   -3.7220871323  -1.4846814626   0.7502208445
C   -1.3824449100   2.0642333460  -1.3024608899
C    3.7831738908  -0.1876547048  -1.1267473293
C   -3.3460037633  -2.7489077580   0.3421396237
C    0.2481754175   3.0795794612  -2.0843032027
H   -1.6832803309   2.2527437655   1.4373162314
H   -0.0479488237   2.8178862810   1.6409337084
H   -0.5560733354   0.3768166801   3.8984975961
H    0.7411233408  -0.7664497613   3.5750013424
H    1.0760258574   0.9649970566   3.6180368084
H    0.4525509616  -0.4330846043  -1.3860207734
H   -0.0067434449  -2.4980631931   0.4833385552
H    2.8911218467   0.4854353309   2.0312023939
H   -3.0354107482   0.4134563860   1.3942352894
H    2.4726730494  -0.6350761698  -2.7635465479
H   -1.7584396609  -4.1272086683  -0.0751413687
H    4.9044145013   0.2747104723   0.6410373897
H   -4.7687007933  -1.2177147804   0.8199097206
H   -2.3066651979   1.5279311303  -1.1510196482
H    0.9240124385   3.5488058555  -2.7825900603
*