! 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   0.0182077663   0.3847316183   1.4697633956
F    5.0084761751  -0.4460479381  -1.7356490630
F   -4.3002802540  -3.5109527462   0.0016345965
N   -0.6510824233   2.3660546068  -0.3932636851
N    0.3511765564   2.9767042363  -1.0235029575
N   -1.1942721529   2.3056536457  -2.4954440405
C   -0.6091853282   2.1369240242   1.0368431921
C    1.5737081147   0.0635909708   0.4778720357
C   -1.3221336021  -0.8393160142   0.9833754098
C    0.3487689381   0.3399134084   3.3122012937
C    1.5190237311  -0.1708352512  -0.8993631440
C   -2.6670875417  -0.5499240000   1.2327742611
C    2.8332078244   0.1155364686   1.0777775291
C   -1.0227523731  -2.0737306064   0.4029055401
C    2.6675996021  -0.3455162907  -1.6549697792
C   -3.6789233202  -1.4407129134   0.9079682647
C    3.9985171639  -0.0548677503   0.3430520268
C   -2.0168801464  -2.9830559537   0.0694276243
C   -1.5639162659   1.9656179718  -1.2803477941
C    3.8899924424  -0.2811098497  -1.0142524691
C   -3.3302111232  -2.6442347003   0.3263879389
C   -0.0172044891   2.9193203231  -2.2802457515
H   -1.5977744007   2.3314008454   1.4568960068
H    0.0548364377   2.8866097367   1.4674424844
H   -0.5721849752   0.5189001673   3.8714062248
H    0.7346207506  -0.6307712594   3.6289490243
H    1.0659738485   1.1029979282   3.6207097808
H    0.5649845202  -0.2272493537  -1.4109613222
H   -2.9532780651   0.3898059611   1.6914100157
H    2.9270312268   0.2929473996   2.1424106525
H    0.0052667899  -2.3471800653   0.1979061009
H    2.6125692069  -0.5255206137  -2.7207829636
H   -4.7166377880  -1.2026695770   1.1027202636
H    4.9698036035  -0.0118847955   0.8185533246
H   -1.7724772795  -3.9353287820  -0.3831345477
H   -2.4689718731   1.4473594729  -1.0038726385
H    0.5874794282   3.3399132628  -3.0688526640
*