! 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  -0.0049677821   0.4376266137   1.4575573908
F    5.0811990095  -0.5200610130  -1.5616479364
F   -4.1008340836  -3.6424809574  -0.1193110535
N   -0.6709511873   2.4283225275  -0.4242623166
N   -1.8219999475   2.2061671316  -1.0578250692
N   -0.2408387653   2.8219022702  -2.5161320455
C   -0.5388419806   2.2120605016   1.0002442236
C    1.5864530687   0.0846110474   0.5302953655
C   -1.3032987146  -0.8114075364   0.9370841569
C    0.2768798573   0.4200640384   3.3096229660
C    1.5667572775  -0.3070823682  -0.8113786127
C   -2.6465816171  -0.4694924487   0.7682321138
C    2.8313605389   0.2653498632   1.1368240258
C   -0.9422238268  -2.1478180194   0.7428159901
C    2.7367499316  -0.5133502534  -1.5269688119
C   -3.5981973646  -1.4156379971   0.4152355979
C    4.0160613481   0.0651724659   0.4425980078
C   -1.8746544749  -3.1114543776   0.3888493319
C    0.2652288869   2.7883602645  -1.3030152205
C    3.9426303464  -0.3213024176  -0.8810842076
C   -3.1902117668  -2.7216944245   0.2299976479
C   -1.5178282888   2.4569012964  -2.3081999764
H   -1.4766568039   2.4996395549   1.4770103655
H    0.2166671204   2.9029923421   1.3795488799
H    0.9958439314   1.1798445326   3.6232139438
H   -0.6553207903   0.6195709460   3.8424138343
H    0.6463591638  -0.5484668164   3.6516737855
H    0.6240137561  -0.4658785005  -1.3220517104
H   -2.9745716216   0.5532633102   0.8987579939
H    2.8967783961   0.5644294669   2.1761632746
H    0.0891929082  -2.4589748850   0.8620566271
H    2.7103959326  -0.8174060024  -2.5652516814
H   -4.6359683979  -1.1391756430   0.2813241044
H    4.9758103663   0.2041500581   0.9231508613
H   -1.5828501675  -4.1424578338   0.2365763984
H    1.2791773678   3.0212701572  -1.0187672366
H   -2.2490756160   2.3753289904  -3.0975821864
*