! 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   0.4121531103   0.6691702010   0.8126476333
F    5.8742755406  -1.4230738435  -0.5133855917
F   -3.8384363301  -3.3156693071  -0.6026060179
N   -1.3569509852   2.4201130788  -0.4297769157
N   -2.0937825331   2.7531514459   0.6289188668
N   -3.3933972911   2.5045254624  -1.1744345471
C    0.0621300712   2.1793573376  -0.3073166809
C    2.1292974425   0.0402318955   0.3872529158
C   -0.8891657522  -0.6184810457   0.3933416524
C    0.3124079499   1.1502634299   2.6173200616
C    2.9892419725  -0.4151159699   1.3899570765
C   -2.1071641099  -0.6430998010   1.0777407812
C    2.5880119863  -0.0161442840  -0.9321157884
C   -0.7034828824  -1.5450731605  -0.6346661888
C    4.2522728150  -0.9104085948   1.0996973862
C   -3.1077403569  -1.5466727167   0.7515673625
C    3.8458678495  -0.5074597498  -1.2486970420
C   -1.6888113665  -2.4586339713  -0.9802540742
C   -2.1410814490   2.2653107135  -1.4944356259
C    4.6557231116  -0.9472157270  -0.2202343142
C   -2.8772635051  -2.4379178212  -0.2774579880
C   -3.3075189568   2.7970183691   0.1337025180
H    0.5482174674   3.0800312033   0.0729390403
H    0.4524861252   2.0183992845  -1.3125455178
H   -0.6444281438   1.6224946358   2.8449006845
H    0.4200333206   0.2889449909   3.2791936768
H    1.0921292606   1.8695533986   2.8758148181
H    2.6826614031  -0.3891059617   2.4286443645
H   -2.2960731066   0.0508757446   1.8872433562
H    1.9646359070   0.3269342234  -1.7496024765
H    0.2291510386  -1.5743358986  -1.1856225959
H    4.9089370011  -1.2593762796   1.8860258031
H   -4.0473524601  -1.5567624211   1.2886230123
H    4.1883127091  -0.5450141253  -2.2746370733
H   -1.5329888538  -3.1727117173  -1.7785681596
H   -1.7631852202   1.9886860656  -2.4661416020
H   -4.1607977632   3.0529690883   0.7427377228
*