! 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  -0.6000291601   0.4188901222   0.8297610703
F    4.7823415553  -0.2931855393  -1.6944990233
F   -3.7033474853  -4.7095301034   0.9666989835
N   -0.5063047635   2.6468226732  -0.7931732401
N    0.0377785935   3.4887723744   0.0852784100
N    0.9671598737   3.7640111127  -1.9306463740
C   -1.4554833278   1.6392466215  -0.3732001197
C    1.1025882628   0.1275733824   0.1020133925
C   -1.5760086002  -1.1848485808   0.8336050188
C   -0.5013261568   1.1417443107   2.5539340268
C    2.2142701371   0.8352532800   0.5630471482
C   -0.9513347446  -2.3954461317   1.1460755494
C    1.2796411232  -0.7280831557  -0.9883394180
C   -2.9480889960  -1.2109311250   0.5725244185
C    3.4596173698   0.7026214790  -0.0342944507
C   -1.6566275216  -3.5888624767   1.1943418980
C    2.5150128885  -0.8810030941  -1.5997072698
C   -3.6761353846  -2.3917847725   0.6152420963
C    0.0622487790   2.8117971994  -1.9864191601
C    3.5829986107  -0.1554595022  -1.1086953633
C   -3.0111896291  -3.5613231041   0.9258591997
C    0.9135532127   4.1405863457  -0.6419249996
H   -1.7952805580   1.1163162479  -1.2684386218
H   -2.3288297677   2.1299587632   0.0608681133
H    0.1050187721   0.5187016175   3.2157147842
H   -0.0799386086   2.1483337675   2.5513446069
H   -1.4993982303   1.2070596639   2.9936655654
H    2.1223933917   1.5108986007   1.4045419133
H    0.1117450110  -2.4237083986   1.3554891832
H    0.4433375087  -1.2963300520  -1.3793743732
H   -3.4807228097  -0.2992666580   0.3275097983
H    4.3155812585   1.2569921050   0.3285247294
H   -1.1615749902  -4.5210197489   1.4343061163
H    2.6444435446  -1.5485057569  -2.4419216150
H   -4.7385489052  -2.4009996992   0.4086389759
H   -0.2125097250   2.2307981885  -2.8527939997
H    1.5307974149   4.9210988766  -0.2237785069
*