! 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  -2.5559147659   0.3769641446   0.0755028050
F    1.0820257746  -5.2602906094  -0.2114736034
O    0.3017979940   0.6936102241   1.4576086372
N    1.7833651958   2.3482056652  -0.3578073597
N    1.3102731835   3.1780189952  -1.2916944223
N    2.1242159051   4.3380291239   0.4410452885
C   -0.8510277235   0.7906673011  -0.6661026686
C    0.3879158238   0.3246988495   0.0988948568
C    1.6960925206   0.9130417574  -0.4878710788
C   -2.7319036019  -1.4027925129   0.6556910004
C   -3.7906557539   0.7066741632  -1.3092665315
C   -2.9456146260   1.5344668236   1.5121463147
C    0.5472216713  -1.1859869478   0.0369769226
C    0.7130955482  -1.9536203860   1.1851494120
C    0.5764554239  -1.8317537346  -1.1974254296
C    0.8893414319  -3.3287442544   1.1094745868
C    0.7561064543  -3.2027281743  -1.2936737578
C    2.2632251524   3.0538566500   0.6695705515
C    0.9078607624  -3.9309045199  -0.1307792284
C    1.5333065487   4.3568053279  -0.7686966124
H   -0.8270375775   1.8812075656  -0.7817671480
H   -0.8194573946   0.4137795594  -1.6915218333
H    1.7971394858   0.6678120087  -1.5438371020
H    2.5507766169   0.4829559521   0.0356629585
H   -3.7703183191  -1.5983961190   0.9375667626
H   -2.1148926580  -1.6138163421   1.5298203837
H   -2.4641556007  -2.1256161328  -0.1171929224
H   -4.8208511333   0.5755960141  -0.9703652147
H   -3.6389625672   0.0292413104  -2.1527909857
H   -3.7041262136   1.7256893790  -1.6938243681
H   -2.7693256488   2.5811360857   1.2533328267
H   -2.3590264811   1.3106192379   2.4050908613
H   -3.9975361434   1.4505314003   1.7958765628
H   -0.0823420259   1.5736997182   1.5266568317
H    0.6991318850  -1.4954915554   2.1634215272
H    0.4572758494  -1.2723927401  -2.1167587634
H    1.0103262313  -3.9179832930   2.0091332921
H    0.7777875001  -3.6911455860  -2.2590965289
H    2.7105845847   2.5966135462   1.5381230739
H    1.2678419899   5.2663121016  -1.2849834560
*