! 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  -3.1628239568  -0.1996405775  -0.1345433770
F    2.0244979191  -3.9406284249   0.5490393450
O   -0.6299118782   1.7647433275   0.9822003931
N    1.7731470563   2.0577947567  -0.5430684246
N    2.7818788780   1.3409480685  -1.0431049972
N    3.4691182948   2.5213078413   0.7291535282
C   -1.8224562340   0.8919647721  -0.9389478593
C   -0.4743837061   1.0532228579  -0.2251734995
C    0.4381253378   1.9452616597  -1.0823439854
C   -2.7654184006  -2.0353127208  -0.2436814186
C   -4.7461233889   0.1515423033  -1.0902907703
C   -3.4371696272   0.2352198168   1.6827814450
C    0.2006423010  -0.2927847531   0.0003568589
C    0.4033177258  -1.1619565412  -1.0705719425
C    0.6490827768  -0.6813625203   1.2563647254
C    1.0159744026  -2.3905450318  -0.8978708010
C    1.2621570230  -1.9131586507   1.4531073850
C    2.1952671459   2.7525425737   0.5160940155
C    1.4329794408  -2.7474376671   0.3703108988
C    3.7761716352   1.6507900321  -0.2522253448
H   -2.2549405163   1.8883475585  -1.0888168773
H   -1.6659987427   0.4941450623  -1.9469517239
H    0.0008657751   2.9416184867  -1.1634064205
H    0.5324781238   1.5428760902  -2.0884243729
H   -2.5475771784  -2.3530027836  -1.2650262807
H   -3.6216315853  -2.6217091798   0.1007409974
H   -1.9121865190  -2.3133358163   0.3768859405
H   -4.6325911081  -0.0674462407  -2.1545558101
H   -5.0503982703   1.1970669818  -1.0044676419
H   -5.5737732025  -0.4587209824  -0.7213808381
H   -3.5868438401   1.3043242568   1.8494094036
H   -2.6289841491  -0.1051132802   2.3364607868
H   -4.3395847523  -0.2659354605   2.0425295338
H   -1.2863769493   1.3332120329   1.5391810989
H    0.0778592066  -0.8921311679  -2.0676644896
H    0.5364094433  -0.0267019498   2.1096649083
H    1.1656014001  -3.0588206826  -1.7358627058
H    1.6045289546  -2.2089876690   2.4363521471
H    1.5576796536   3.4104934628   1.0837993511
H    4.7631399285   1.2367275349  -0.3905022049
*