AnalyticalFreq
end

Basis
  Core Small
  Type TZP
end

NumericalQuality Good

QTAIM 
    Enabled Yes
End

Relativistic Scalar ZORA

SOLVATION
  Surf Delley
  Solv name=Water cav0=0.0 cav1=0.0067639
  Charged method=CONJ
  C-Mat POT
  SCF VAR ALL
  CSMRSP
  Radii
    H=1.30
    O=1.72
    Nb=2.025
  SubEnd
end

ScanFreq -1000 0

XC
  GGA PBE
end

atoms
      1         O      5.172999      9.241289     -1.697485 
      2         O      4.844502     -5.780292     -0.683690 
      3         O     -8.131607     -0.071032     -0.831161 
      4         O      2.614725     -3.284029      4.926714 
      5         O      0.506466      8.226307      0.162527 
      6        Nb     -2.624312      2.936425     -1.218219 
      7         O      1.058805     -2.050201      3.057577 
      8         O      7.826441     -6.026276     -1.140789 
      9         O      5.243515     -8.518949      3.633358 
     10         O      3.959577     -5.824320      4.104618 
     11        Nb      3.349915     -5.439112      0.462426 
     12        Nb      3.842606     -3.921056      3.748996 
     13         O      1.698775      6.557896      2.259558 
     14        Nb      1.965122     -2.666441      1.426648 
     15         O      5.557883     -3.464248      4.452201 
     16        Nb     -3.675492     -0.536015      0.238014 
     17        Nb     -6.197475     -1.781999      1.883439 
     18         O     -4.410549     -1.365268     -1.455190 
     19         O     -8.016494     -6.215714      1.407295 
     20        Nb     -6.377337     -0.433023     -1.521773 
     21         O      6.286403     -3.479183     -0.369710 
     22         O      6.386491     -7.060125      1.266238 
     23        Nb      1.315218      3.544387     -0.142721 
     24        Nb      5.258747     -2.569152      0.945651 
     25        Nb      5.215675     -6.889381      2.895187 
     26        Nb     -4.824208     -3.453972     -0.811676 
     27         O     -5.700228     -1.164643      3.484750 
     28         O     -0.688732     10.341917     -1.637094 
     29         H      0.620918     -5.343419     -1.099791 
     30         O    -10.735510     -1.002915      0.407129 
     31         O      7.929618     -4.719126      1.535969 
     32         O     -5.524387     -4.926054      0.141371 
     33        Nb     -7.544637     -4.658672      0.664275 
     34        Nb      3.909574      0.818884      0.520518 
     35        Nb     -9.096694     -1.642832      0.080742 
     36         O     -1.059572      7.289551     -1.884039 
     37        Nb      6.716084     -5.469906      0.147776 
     38        Nb     -1.228213     -3.788752     -0.245961 
     39        Nb     -7.669068     -3.372727     -2.517721 
     40        Nb      1.666382      6.720580      0.481119 
     41        Nb     -0.205633      5.638757     -2.207956 
     42        Nb      7.145218     -4.069752      3.245554 
     43         O      3.403680     -3.329557      0.077588 
     44         O      1.708877      7.397025     -6.196655 
     45         O      8.570609     -3.605069      4.222886 
     46         O      1.641185      6.664928     -1.957797 
     47         O      5.046953      1.997991     -0.507952 
     48        Nb      0.331057      8.880284     -1.778360 
     49        Nb      3.173815      4.919706     -2.384026 
     50        Nb      3.707149      8.223700     -1.812666 
     51        Nb      1.718186      7.175214     -4.420912 
     52         O      2.252288     -4.447777      2.136134 
     53         H      4.702814      2.537258     -1.310926 
     54         O     -9.136661     -3.505745      0.827800 
     55         O     -1.454966     -4.670045      1.263179 
     56         O     -5.619744     -3.844325     -2.489620 
     57         O     -6.926725     -1.487034     -3.013786 
     58         O     -8.016026     -1.100172      1.705579 
     59         O      2.311321     -0.633387      0.645612 
     60         O     -2.844380     -0.307630      2.060587 
     61         O     -3.755262      2.474622     -2.709279 
     62         O      0.535022      8.618896     -3.747586 
     63         O     -6.724614     -3.605188      2.226917 
     64         O     -5.886605      1.153106     -2.262193 
     65         O      0.183455      5.318226     -0.086202 
     66         O     -8.227037     -4.000756     -4.099462 
     67         H     -4.636804      1.955576     -2.523418 
     68         O      0.798132      3.351264      1.797418 
     69         O      3.782803     -2.256376      2.445128 
     70         O     -1.858081     -1.710679     -0.274534 
     71         O      5.082001     -4.552741      1.860371 
     72         O     -2.872393      1.049615     -0.415156 
     73         O     -1.666288      4.357002     -2.193824 
     74         O      2.810247      5.403656     -4.187704 
     75         O      2.183972      9.528299     -1.658757 
     76         O      1.255733      3.952415     -2.122601 
     77         O     -0.608413      2.473466     -0.591784 
     78         O      6.660908     -2.322502      2.199276 
     79         O      0.106611      5.863605     -4.064666 
     80         O     -7.921196     -4.906162     -1.280144 
     81         O     -5.519036     -0.038762      0.565883 
     82         O      2.290682      1.907948     -0.119410 
     83         O      3.313246      8.135347     -3.791679 
     84         O      4.201393      3.427534     -2.497010 
     85         O      6.735559     -5.920662      3.789136 
     86         O      3.320366      7.681166      0.098006 
     87         O      4.443619      6.320009     -2.013079 
     88         O      2.773002      4.809485     -0.110678 
     89         O      1.915530     -5.919372     -0.542985 
     90         O     -6.694523     -2.464946     -0.402061 
     91         O      3.621569     -6.963196      1.615451 
     92         O     -4.368423     -2.385446      1.005913 
     93         O     -2.979523     -3.973972     -1.136370 
     94         O      0.463813     -2.731217      0.270044 
     95         O      5.025042     -0.789929      0.211526 
     96         O     -9.236999     -2.455662     -1.756871 
     97         H     -1.101470     -1.277564      0.169728 
     98         O      4.189185      1.293165      2.195144 
     99         O     -3.567937      3.834605     -0.025189 
    100         O     -0.236784     -4.897161     -1.475481 
    101         H     -0.700645      1.726848      0.031428 
    102         H      1.565281     -0.327064      0.095815 
    103         H     -2.363759      0.540575      2.124042 
    104         H      1.194892      2.541492      2.175361 
    105         H      1.547087     -2.362955      3.879098 
end

charge -15

geometry
end

