! 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  -3.2166915813  -0.1370477289  -0.0813177957
F    2.2966916154  -3.8819622568   0.5766095482
O   -0.7861557471   1.6121577513   0.9067584234
N    1.7358641109   2.0037257197  -0.6337447742
N    1.9170841574   2.5081179578   0.5899494507
N    3.8653656914   1.8248049617  -0.2615471434
C   -1.8055430902   0.7231433635  -1.0235131981
C   -0.4812754080   0.9510100923  -0.2976489896
C    0.4070446151   1.8584126471  -1.1788600057
C   -4.5408200430  -0.4497588726  -1.3901606672
C   -3.9593317864   0.9527085917   1.2621923928
C   -2.7021407663  -1.7878644254   0.6646475293
C    0.2555513003  -0.3608905154  -0.0474160151
C    0.5891628470  -1.1960884263  -1.1125011092
C    0.6376685757  -0.7464732434   1.2318689528
C    1.2749040862  -2.3838367240  -0.9149103398
C    1.3265489033  -1.9317751641   1.4526494505
C    2.9031690378   1.5898002454  -1.1240648522
C    1.6323220380  -2.7318169211   0.3728833464
C    3.2091697556   2.3816529310   0.7709464242
H   -2.1950501489   1.6913940067  -1.3625010937
H   -1.6308490611   0.1481843064  -1.9375780728
H   -0.0524996515   2.8444109110  -1.2687633756
H    0.5084897416   1.4489045661  -2.1822147149
H   -4.8652371245   0.4791897997  -1.8656328228
H   -5.4287341735  -0.9178325472  -0.9587673159
H   -4.1805093476  -1.1098643794  -2.1828014691
H   -4.2552093456   1.9299599574   0.8737481528
H   -3.2673135771   1.1233169011   2.0869193738
H   -4.8562770973   0.4862742206   1.6778667580
H   -2.0366984521  -1.6679909060   1.5203466762
H   -2.1923657111  -2.4280040465  -0.0581373374
H   -3.5845122237  -2.3312115127   1.0136579095
H    0.0210820138   2.0227891833   1.2546235226
H    0.3142041060  -0.9319933339  -2.1266052904
H    0.3897646223  -0.1323266124   2.0862728889
H    1.5263777261  -3.0251649837  -1.7496714924
H    1.6168995587  -2.2244283940   2.4535252707
H    3.0039070669   1.1373462865  -2.0980075876
H    3.6931321871   2.7073401714   1.6784722848
*