! 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   0.0874823562   0.5785594217   1.3876287407
F    5.1959547453  -0.7487545852  -1.4531070943
F   -4.1636658415  -3.4713803173   0.1909346045
N   -0.8750215605   2.3088710108  -0.6248965591
N    0.0602875624   2.6836812145  -1.4964399072
N   -1.8124431351   2.0998923174  -2.5720563970
C   -0.6026068502   2.2584922493   0.7951771690
C    1.6712352440   0.1716500475   0.4679599382
C   -1.2050837407  -0.7295557033   1.0200865610
C    0.3750974430   0.7475334651   3.2312505490
C    2.5627166504   1.1734180588   0.0751664517
C   -1.3883336912  -1.2262701523  -0.2741110838
C    2.0206709664  -1.1531607628   0.1943948986
C   -2.0597366372  -1.1955994960   2.0217442974
C    3.7539038649   0.8749828719  -0.5694505817
C   -2.3818651802  -2.1489452836  -0.5660030815
C    3.2055922600  -1.4770205902  -0.4512337073
C   -3.0600561056  -2.1195606269   1.7553060385
C   -1.9844419670   1.9573401466  -1.2766593285
C    4.0499341579  -0.4500975889  -0.8231077745
C   -3.2008770509  -2.5776093536   0.4604537769
C   -0.5466083992   2.5465143800  -2.6500001522
H   -1.5323191798   2.4612508314   1.3305187720
H    0.0706299672   3.0813355052   1.0386887547
H    0.7103158646  -0.1901663777   3.6779056162
H    1.1478420625   1.4938339193   3.4277705288
H   -0.5238270147   1.0682116549   3.7614440569
H    2.3353703641   2.2153159658   0.2604400299
H   -0.7430238406  -0.9026492935  -1.0826382760
H    1.3615610985  -1.9636111422   0.4826042714
H   -1.9541650529  -0.8429199839   3.0407321151
H    4.4360157289   1.6584304766  -0.8734703409
H   -2.5146687656  -2.5278206109  -1.5710670246
H    3.4637607234  -2.5066167174  -0.6626465091
H   -3.7148147789  -2.4763034811   2.5398426947
H   -2.8782870336   1.6174936519  -0.7775532459
H   -0.0553356035   2.7822201737  -3.5814576421
*