! 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  -0.1751394392   0.5100079020   1.4283484164
F    4.8142117611  -0.2456086821  -1.7862391567
F   -4.1438708249  -3.8556697438   0.3599524009
N   -0.5391550475   2.3586686949  -0.6208806865
N    0.5591452482   2.9857699437  -1.0398493232
N   -0.5305740668   2.0810756047  -2.7794457988
C   -0.8230234881   2.1919631384   0.7903447921
C    1.4016255909   0.1651410970   0.4777495114
C   -1.4304131323  -0.8305045009   1.0338647880
C    0.1288789149   0.6422864024   3.2696784522
C    2.6468661285   0.5524747755   0.9757909260
C   -2.7920944206  -0.5593826495   0.8832740508
C    1.3535181509  -0.3809234663  -0.8073621855
C   -1.0209812917  -2.1647353776   0.9480955931
C    3.8052812350   0.4147583648   0.2241618060
C   -3.7163499064  -1.5693667138   0.6530055606
C    2.4950278110  -0.5212711479  -1.5816068433
C   -1.9248819146  -3.1921426800   0.7229796345
C   -1.1665611735   1.8135096694  -1.6607613197
C    3.7016941526  -0.1155592371  -1.0464490928
C   -3.2605827545  -2.8701581795   0.5788189441
C    0.5169595928   2.7929712186  -2.3345401086
H   -1.8919436838   2.3295096024   0.9581743089
H   -0.3277523084   3.0032865391   1.3231694406
H    0.8437724481   1.4314556756   3.5088111894
H   -0.7986400971   0.8725462296   3.7970720921
H    0.5146780077  -0.2935733641   3.6769836172
H    2.7317413322   0.9786240213   1.9682453281
H   -3.1634416343   0.4563472685   0.9452309243
H    0.4098871010  -0.7052584305  -1.2304790947
H    0.0254381606  -2.4238972485   1.0593936276
H    4.7665709773   0.7179684579   0.6174228901
H   -4.7686180852  -1.3462856933   0.5364234008
H    2.4461472724  -0.9393107696  -2.5784032166
H   -1.5962881287  -4.2211158046   0.6594235907
H   -2.0828460091   1.2514643850  -1.5662134929
H    1.2773463801   3.1940656997  -2.9862713355
*