! 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   0.0421376554   0.5470284076   0.3333371440
F    5.7251270139  -1.2846617332  -0.2182276777
F   -3.4776746691  -4.3100941020   0.1540431943
N   -1.2247836511   2.7776738978  -0.8497450563
N   -2.4870056411   2.4918635286  -0.5348688647
N   -2.1576712930   4.7017026407  -0.4727508634
C   -0.2643666297   1.7366303098  -1.1389842564
C    1.8222231138  -0.0314616920   0.1780243543
C   -1.0709038416  -0.9662651707   0.2366769946
C   -0.2092357714   1.4951798078   1.9285034770
C    2.2355916246  -0.7696337069  -0.9356841553
C   -2.4185402413  -0.8780718732  -0.1256213535
C    2.7784890429   0.2702188356   1.1486656299
C   -0.5704804569  -2.2272217967   0.5725893380
C    3.5469123374  -1.1953209055  -1.0812979632
C   -3.2371303917  -1.9977251314  -0.1567351027
C    4.0975535567  -0.1462338446   1.0269367450
C   -1.3705434280  -3.3609775652   0.5497205516
C   -1.0386529829   4.0959777893  -0.8035533946
C    4.4547393137  -0.8736716531  -0.0900227370
C   -2.6938001737  -3.2213736903   0.1826723767
C   -3.0111387458   3.6750996796  -0.3217143768
H    0.6776048546   2.2292592247  -1.3843864212
H   -0.5762596956   1.2012858869  -2.0384135717
H    0.4045593845   2.3968668081   1.9751570052
H   -1.2511690069   1.8004777722   2.0402940517
H    0.0362914589   0.8798511354   2.7962988890
H    1.5266472854  -1.0320655999  -1.7130134014
H   -2.8485751892   0.0808442722  -0.3890437743
H    2.5059109956   0.8398503510   2.0288663391
H    0.4675894993  -2.3455939027   0.8592197836
H    3.8563979996  -1.7685601464  -1.9456199123
H   -4.2788480243  -1.9190755948  -0.4402291160
H    4.8300681159   0.0902491617   1.7878696986
H   -0.9700615487  -4.3321941427   0.8102936378
H   -0.0895524064   4.5623162791  -1.0165781705
H   -4.0477384251   3.7970945517  -0.0477619884
*