! 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  -0.2663992149   0.3670444456   0.3286307934
F    5.5058394265  -0.8887803458  -0.6771456410
F   -3.5389522837  -4.6511471715   0.5237498008
N   -1.0066912787   2.8286350849  -0.8184404073
N   -2.0595198531   3.3271222433  -0.1718895623
N   -0.5329472329   4.9263212392  -0.5210335699
C   -0.9298659340   1.4185487163  -1.1326549646
C    1.5440973315  -0.0135221179   0.0263044601
C   -1.2593025227  -1.2263880961   0.3538310963
C   -0.4915332471   1.3050892804   1.9328283921
C    1.9472377168  -0.6448205293  -1.1547021767
C   -0.6625786033  -2.4865224659   0.4046512622
C    2.5306385909   0.3129157470   0.9577636222
C   -2.6560300722  -1.1657026584   0.3668484853
C    3.2771853967  -0.9457801345  -1.4030165117
C   -1.4203385000  -3.6483830712   0.4617000443
C    3.8697129295   0.0239385982   0.7319140002
C   -3.4347455457  -2.3108540429   0.4255734849
C   -0.1013515483   3.7868570500  -1.0161955188
C    4.2158746704  -0.6026763064  -0.4481206289
C   -2.7960100714  -3.5355737311   0.4704868060
C   -1.7337946181   4.5885878279  -0.0198193402
H   -0.2952461095   1.2982928568  -2.0125496826
H   -1.9264602228   1.0940869786  -1.4342946689
H   -1.5428757872   1.5469774122   2.1019123025
H   -0.1592543998   0.7035046528   2.7824519677
H    0.0659377371   2.2437140312   1.9539789523
H    1.2167707360  -0.9205858605  -1.9073423579
H    0.4164907067  -2.5815519580   0.4008885152
H    2.2676322369   0.8038187875   1.8867839538
H   -3.1657461704  -0.2088406106   0.3329186167
H    3.5773720952  -1.4381774343  -2.3187878757
H   -0.9477710623  -4.6212954874   0.4984889370
H    4.6266463910   0.2817335716   1.4612180406
H   -4.5152886686  -2.2521054500   0.4362536676
H    0.8386869553   3.6143699513  -1.5170692804
H   -2.3931642947   5.2890930373   0.4691985046
*
