
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
    Mo=1.992
    Si=2.48
    W=1.992
    Ta=2.025
    Nb=2.025
    V=1.908
  SubEnd
end

XC
  HYBRID B3LYP
end

atoms
      1         O      5.101431      9.204927     -1.108682
      2         O      4.683255     -5.519744     -0.699854
      3         O     -7.183077      0.146715      0.165650
      4         O      1.817414     -3.801214      4.910941
      5         O      0.122771      8.370809     -0.169717
      6        Nb     -2.671805      2.954694     -1.992021
      7         O      0.356381     -2.472426      3.013058
      8         O      7.723904     -5.487510     -0.907911
      9         O      4.992068     -8.658051      3.355079
     10         O      3.434411     -6.134330      3.936960
     11        Nb      3.148822     -5.390533      0.396419
     12        Nb      3.151151     -4.216885      3.760350
     13         O      0.832732      6.812713      2.210926
     14        Nb      1.381602     -2.822271      1.388436
     15         O      4.790734     -3.727914      4.638104
     16        Nb     -2.849789     -0.617341     -1.109833
     17        Nb     -4.250179     -1.759774      1.601757
     18         O     -4.362245     -1.446244     -2.181572
     19         O     -6.415272     -5.992485      2.262416
     20        Nb     -6.043892     -0.315782     -1.306364
     21         O      5.902841     -3.176852     -0.042733
     22         O      6.164737     -6.877586      1.238970
     23        Nb      0.786108      3.661128     -0.059145
     24        Nb      4.697836     -2.458855      1.252389
     25        Nb      4.894518     -6.966893      2.792693
     26        Nb     -4.673797     -3.459446     -1.390897
     27         O     -2.899020     -1.086171      2.568069
     28         O     -0.617499     10.419685     -2.277443
     29         H      0.991635     -5.429178     -1.314775
     30         O     -8.824895     -0.554682      2.616150
     31         O      7.483718     -4.477406      1.888594
     32         O     -4.785478     -4.891987     -0.112842
     33        Nb     -6.257700     -4.473537      1.339744
     34        Nb      3.125233      0.856752      1.081309
     35        Nb     -7.644049     -1.330495      1.527625
     36         O     -1.040297      7.366816     -2.431969
     37        Nb      6.474272     -5.152251      0.324598
     38        Nb     -1.440633     -3.901318     -1.042759
     39        Nb     -7.928280     -3.150149     -1.385016
     40        Nb      1.155286      6.867708      0.455803
     41        Nb     -0.184199      5.692573     -2.486806
     42        Nb      6.528965     -4.055145      3.590574
     43         O      2.974831     -3.258823      0.145894
     44         O      2.544663      7.136757     -6.092227
     45         O      7.819801     -3.586237      4.727310
     46         O      1.583417      6.688647     -1.928152
     47         O      4.445178      2.161959      0.528780
     48        Nb      0.362441      8.930793     -2.137690
     49        Nb      3.132529      4.880809     -1.914492
     50        Nb      3.657280      8.212356     -1.460995
     51        Nb      2.188709      7.022253     -4.343154
     52         O      1.795958     -4.660331      1.994023
     53         H      4.338736      2.619478     -0.382311
     54         O     -7.451205     -3.193738      2.238439
     55         O     -2.093721     -5.270856      0.184777
     56         O     -6.165264     -3.846617     -2.447453
     57         O     -7.330532     -1.373961     -2.256198
     58         O     -5.846205     -0.915714      2.344874
     59         O      1.583763     -0.728029      0.820776
     60         O     -1.417803     -0.081177      0.243037
     61         O     -4.038581      2.802073     -3.400530
     62         O      0.944206      8.540070     -4.002186
     63         O     -4.665058     -3.515362      2.255901
     64         O     -5.895534      1.184341     -2.295164
     65         O     -0.257901      5.452250     -0.317689
     66         O     -9.269811     -3.707131     -2.424206
     67         H     -4.801421      2.231610     -3.062812
     68         O     -0.073507      3.652873      1.758478
     69         O      3.115963     -2.445892      2.634044
     70         O     -1.365998     -1.910440     -2.023022
     71         O      4.579454     -4.585836      1.886361
     72         O     -2.513490      0.897262     -2.154105
     73         O     -1.720119      4.471544     -2.715040
     74         O      3.144868      5.265983     -3.787491
     75         O      2.170222      9.549943     -1.675824
     76         O      1.171881      3.992263     -2.033607
     77         O     -0.862804      2.523400     -0.874952
     78         O      5.976369     -2.279567      2.640076
     79         O      0.480125      5.786118     -4.255786
     80         O     -7.571707     -4.665974     -0.153152
     81         O     -4.286474     -0.090538      0.072133
     82         O      1.666398      1.991639      0.290995
     83         O      3.650977      8.005153     -3.463956
     84         O      4.128520      3.373778     -1.749872
     85         O      6.237140     -5.989605      3.891492
     86         O      2.872698      7.779101      0.359633
     87         O      4.345834      6.286415     -1.396616
     88         O      2.277766      4.902997      0.177341
     89         O      1.772209     -5.875185     -0.841500
     90         O     -5.869658     -2.377944     -0.086127
     91         O      3.390611     -7.012587      1.342285
     92         O     -3.110736     -2.490420     -0.039256
     93         O     -3.033300     -4.053057     -2.242801
     94         O     -0.057411     -3.059711      0.188879
     95         O      4.342196     -0.669073      0.657052
     96         O     -8.773377     -2.120567      0.039152
     97         H     -0.484979     -1.526635     -1.834944
     98         O      3.107667      1.073955      2.827281
     99         O     -3.645314      3.426872     -0.604521
    100         O     -0.255427     -4.800349     -2.043448
    101         H     -0.979050      1.672407     -0.372385
    102         H      0.697668     -0.378020      0.554862
    103         H     -1.655520     -0.417051      1.147234
    104         H      0.131399      2.820807      2.229625
    105         H      0.800657     -2.812098      3.845720
    106         H     -3.084823     -5.172873      0.320547
end

charge -14

