! 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  -3.1331963849  -0.0744075605   0.0352788698
F    1.9602429058  -4.0645489005   0.0393413104
O   -0.4903675068   1.5432579981   1.1650571391
N    1.8452923069   2.0452981016  -0.4739966136
N    2.1691368411   2.9353283795   0.4680224334
N    3.8999359932   1.5671216196   0.0567185385
C   -1.8000039253   1.0219495256  -0.7914983996
C   -0.4120320707   1.0384430638  -0.1481685587
C    0.5078257755   1.9407090428  -1.0030230995
C   -2.5348850143  -1.1284525361   1.4774357104
C   -3.8202979420  -1.2255564571  -1.2897468923
C   -4.5041091283   1.0567156798   0.6597656416
C    0.2069063953  -0.3436423031  -0.0721683485
C    0.1051307091  -1.2154550451  -1.1534864390
C    0.9365327449  -0.7539225194   1.0394441045
C    0.6909440023  -2.4718500288  -1.1273856664
C    1.5296171616  -2.0074193429   1.0856139393
C    2.8791609142   1.2325019337  -0.6943841171
C    1.3924485668  -2.8473221907   0.0001846129
C    3.4043460024   2.6111263214   0.7471289817
H   -2.1777007391   2.0516324690  -0.8060405996
H   -1.7306461619   0.7431675498  -1.8466117507
H    0.0922354356   2.9468188443  -1.0714475381
H    0.5753802932   1.5489106005  -2.0170131167
H   -3.3959835527  -1.6197645287   1.9381309559
H   -2.0429132466  -0.5383127948   2.2506650568
H   -1.8416538023  -1.9101107496   1.1654825896
H   -4.1885019893  -0.6732396662  -2.1568225410
H   -4.6489387938  -1.8270721282  -0.9103180260
H   -3.0538800926  -1.9177039892  -1.6465249076
H   -5.3226965968   0.4832984296   1.1000733152
H   -4.9267498448   1.6633674940  -0.1438896718
H   -4.1378115763   1.7427906041   1.4267428075
H   -0.8348614711   2.4423359910   1.1230091779
H   -0.4366456611  -0.9288317668  -2.0453351723
H    1.0471066682  -0.1031937676   1.8944775843
H    0.6002208071  -3.1427191450  -1.9712524031
H    2.0896596263  -2.3217714050   1.9563958469
H    2.8532408438   0.4332615840  -1.4181513051
H    3.9791889551   3.1577250457   1.4781406467
*
