! 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  -0.1260253792   0.5082356148   1.4152849421
F    4.9566132605  -0.3604420123  -1.6318662816
F   -4.1762514187  -3.7654006485   0.2680780676
N   -0.6225921717   2.3398669954  -0.6293015778
N    0.4427663638   2.9384152301  -1.1584985215
N   -0.8705676980   2.1238735737  -2.7759799413
C   -0.7675629231   2.2010982309   0.8057872985
C    1.4662034731   0.1647548968   0.4893195450
C   -1.3983037195  -0.8120107997   1.0027738310
C    0.1667576378   0.6023723322   3.2620690672
C    2.6968768643   0.5670141318   1.0132292362
C   -2.7546455487  -0.5113587083   0.8593671305
C    1.4601476646  -0.4211117369  -0.7786674665
C   -1.0184297864  -2.1532523680   0.8957647880
C    3.8799864612   0.3964660708   0.3094608761
C   -3.7000644553  -1.4959349326   0.6089777002
C    2.6293480050  -0.6028552393  -1.5019513781
C   -1.9439755027  -3.1567430765   0.6506100839
C   -1.3941485959   1.8513584221  -1.6016710607
C    3.8210804920  -0.1878026131  -0.9408389595
C   -3.2721419048  -2.8043314005   0.5091906780
C    0.2505932567   2.7884697005  -2.4462136745
H   -1.8078520714   2.3847309291   1.0797734211
H   -0.1891968458   3.0006628984   1.2692754739
H    0.8831022255   1.3816711117   3.5290579581
H   -0.7610745760   0.8187000981   3.7951503243
H    0.5495414276  -0.3454614993   3.6460498431
H    2.7524729237   1.0269626883   1.9929201546
H   -3.1067086300   0.5096432997   0.9455202473
H    0.5308907118  -0.7511908108  -1.2276953925
H    0.0217875675  -2.4375294089   1.0047973127
H    4.8276804678   0.7127324621   0.7260801309
H   -4.7474889936  -1.2484979713   0.4950926914
H    2.6126571702  -1.0602824596  -2.4829214148
H   -1.6374528717  -4.1915466897   0.5699843481
H   -2.3158618350   1.3218311248  -1.4162962966
H    0.9471772177   3.1765420741  -3.1732114659
*