! 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  -0.5846744804   0.3348348921   0.8787010629
F    4.8212087507  -0.2078210624  -1.6328081031
F   -3.8956629877  -4.6464308892   0.5115938448
N   -0.4347152243   2.7128231702  -0.5318267755
N    0.2313738590   2.6028721438  -1.6794281003
N    1.0268592532   4.3180676008  -0.4830372373
C   -1.4200395571   1.7243955582  -0.1424747692
C    1.1197454107   0.0740291918   0.1497999723
C   -1.6184862053  -1.2225055621   0.7310820921
C   -0.4595363701   0.8986413082   2.6620846293
C    1.3003606890  -0.6657877882  -1.0209468314
C   -1.0485048143  -2.4828934532   0.9293844351
C    2.2354434996   0.7071209621   0.6998220388
C   -2.9872455848  -1.1631595295   0.4583541300
C    2.5420537454  -0.7780894967  -1.6258967066
C   -1.8051304986  -3.6433153152   0.8579086168
C    3.4874524759   0.6188602766   0.1078231970
C   -3.7656543153  -2.3094663495   0.3825231438
C    0.0531665170   3.7315465993   0.1775931934
C    3.6138400748  -0.1215862946  -1.0500926450
C   -3.1544715966  -3.5309688625   0.5844824531
C    1.0944269031   3.5870092153  -1.6095494058
H   -1.8781388647   1.3425670622  -1.0549021554
H   -2.2078993360   2.2233136590   0.4245659279
H    0.0718033423   0.1672203241   3.2742128801
H    0.0578046129   1.8540447533   2.7707952235
H   -1.4558825961   1.0214489608   3.0918890662
H    0.4605502229  -1.1699671677  -1.4843852881
H    0.0102677704  -2.5776125747   1.1410237671
H    2.1444083470   1.2897780016   1.6087052686
H   -3.4771284395  -0.2098821052   0.2974071040
H    2.6730073446  -1.3555254704  -2.5319374222
H   -1.3532493490  -4.6149847185   1.0102096017
H    4.3457296654   1.1179375481   0.5391029602
H   -4.8250303534  -2.2519420865   0.1684286362
H   -0.3335664348   4.0127208177   1.1451511593
H    1.7957931728   3.7841184402  -2.4056814863
*