! 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 "WATER"
end
*xyz 0 1
Si  -3.4504655952   0.6150355993  -0.0652383256
F    3.2726057079  -3.9769460614   0.2672774276
O   -0.7563006680   0.7625614987   1.3034512571
N    1.2644969598   1.7424304612  -0.6328291149
N    1.5268667093   2.3127824244   0.5483889061
N    3.4131869333   2.0688119726  -0.6330068061
C   -1.8731181451  -0.3833059341  -0.4401422425
C   -0.5335236986   0.1831547068   0.0367673985
C   -0.0598553975   1.2634856798  -0.9545576119
C   -4.7806544756  -0.1556203635  -1.1593838114
C   -3.3208755634   2.4486494459  -0.4774287629
C   -3.9726842302   0.4072256806   1.7315972751
C    0.5120934965  -0.9263280806   0.1128116970
C    1.0438341510  -1.3448706325   1.3270491435
C    0.9361173701  -1.5708758566  -1.0494608949
C    1.9748276034  -2.3745907697   1.3888493165
C    1.8651239431  -2.5976429961  -1.0097494689
C    2.3965228668   1.5909575758  -1.3138734373
C    2.3713068966  -2.9814118303   0.2169520542
C    2.8237396025   2.4904793816   0.4975839820
H   -1.8243708904  -0.5855875530  -1.5141581265
H   -2.0328512848  -1.3622432717   0.0247354420
H   -0.7501166399   2.1062737490  -0.9528955947
H   -0.0256332060   0.8780605666  -1.9712759354
H   -4.8781612145  -1.2279019005  -0.9747839643
H   -4.5533398181  -0.0288355266  -2.2200708575
H   -5.7593985331   0.2942544324  -0.9796073281
H   -3.0181656168   2.6219650247  -1.5119282197
H   -2.6177555124   2.9724351166   0.1719024828
H   -4.2951834185   2.9259458984  -0.3463574573
H   -4.9714754586   0.8188148997   1.8931128094
H   -3.2947156791   0.9111742157   2.4202427266
H   -4.0071979062  -0.6464902571   2.0166247096
H    0.0034709931   1.3212360581   1.5298535043
H    0.7340816564  -0.8792111055   2.2519268680
H    0.5363339352  -1.2851526780  -2.0145919963
H    2.3809145143  -2.6955140345   2.3391205426
H    2.1855529016  -3.0904254289  -1.9180039568
H    2.4348504816   1.1478133098  -2.2960413345
H    3.3623517921   2.9485320006   1.3119669240
*