! 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   0.2609541479   0.5464659983   1.2733698916
F    5.5020915836  -0.8546207729  -1.2746217592
F   -4.1361758762  -3.2805144181  -0.1084703817
N   -1.1087546082   2.3084328789  -0.4359474180
N   -0.7229707619   1.5804204115  -1.4815810128
N   -2.5665869466   2.7399719609  -1.9847694862
C   -0.3674494621   2.2854190621   0.8029595504
C    1.8790091026   0.1220607486   0.4261513888
C   -1.0854527912  -0.6854491803   0.8448187924
C    0.5409203391   0.5964103642   3.1287693978
C    2.4247226827   0.8915001114  -0.6027468630
C   -0.8604352896  -1.7890485106   0.0228241091
C    2.6051791624  -0.9920709364   0.8579049939
C   -2.3788031257  -0.4904563231   1.3352908631
C    3.6461768316   0.5745667723  -1.1797960661
C   -1.8786466586  -2.6752634433  -0.3000401411
C    3.8232599179  -1.3359041255   0.2900303289
C   -3.4156465743  -1.3556104040   1.0199375236
C   -2.2091862288   2.9928933481  -0.7457791361
C    4.3221563752  -0.5381273031  -0.7209216235
C   -3.1409576021  -2.4363469761   0.2045800018
C   -1.6232508849   1.8705487221  -2.3886621064
H   -1.0281886923   2.6426756095   1.5948882173
H    0.4584961709   3.0008604868   0.7548667318
H    1.2486915842   1.3834775329   3.3985994883
H   -0.3870543420   0.7900667906   3.6711567359
H    0.9431617339  -0.3459819767   3.5058478029
H    1.8959955824   1.7568638254  -0.9792068997
H    0.1251506577  -1.9726998992  -0.3872562095
H    2.2254192793  -1.6207629689   1.6555119101
H   -2.6036918359   0.3541382344   1.9773904439
H    4.0607568160   1.1817748585  -1.9740105623
H   -1.6934699178  -3.5302551282  -0.9373202391
H    4.3733270711  -2.2032872136   0.6311291853
H   -4.4159076847  -1.1915726746   1.3992171299
H   -2.7063897040   3.6503799045  -0.0498918358
H   -1.5971138005   1.4359260132  -3.3760614154
*