! 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   0.4240439433   0.7519722463   0.7138706294
F    5.8417562974  -1.3575757179  -0.7471766660
F   -3.8578108084  -3.3104443086  -0.2948633915
N   -1.3983431496   2.3986162326  -0.5540576743
N   -2.1212482422   2.6745785115   0.5310274760
N   -3.4636022930   2.3406086870  -1.2326419839
C    0.0306049853   2.1960327529  -0.4764072966
C    2.1056276151   0.0797770599   0.2187326599
C   -0.8996270363  -0.5395408459   0.4195598735
C    0.4481303073   1.3123759350   2.4983130503
C    3.1058908038   0.9307705117  -0.2582698215
C   -1.8657684074  -0.8254841773   1.3844554793
C    2.4149501925  -1.2752209237   0.3561701809
C   -0.9768513380  -1.2124452658  -0.8027016857
C    4.3685759238   0.4590076198  -0.5869278617
C   -2.8677964196  -1.7582349606   1.1561791860
C    3.6702372991  -1.7717237119   0.0346051655
C   -1.9688529248  -2.1478322152  -1.0561224036
C   -2.2071131986   2.1872540439  -1.5869599509
C    4.6244718322  -0.8891640843  -0.4316942795
C   -2.8963854612  -2.4023503221  -0.0642054934
C   -3.3474958482   2.6325907393   0.0716485516
H    0.5138873555   3.1288091256  -0.1807293898
H    0.3825178617   1.9638134138  -1.4823119385
H   -0.5090956174   1.7256716936   2.8174281207
H    0.7013489518   0.4850786887   3.1645555705
H    1.2035813530   2.0872712644   2.6411973492
H    2.9147004869   1.9902435739  -0.3831088564
H   -1.8479029843  -0.3224299796   2.3431440878
H    1.6687220787  -1.9719893672   0.7188095015
H   -0.2470844452  -1.0199649959  -1.5809506297
H    5.1355108735   1.1264559881  -0.9569993328
H   -3.6094572067  -1.9782403989   1.9127667455
H    3.8995188633  -2.8235148420   0.1432415395
H   -2.0181782504  -2.6689705307  -2.0029944315
H   -1.8442657109   1.9372633609  -2.5709387331
H   -4.1944813096   2.8307987267   0.7093332077
*
