
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
  METAGGA M06L
end

atoms
      1         O      5.162243      9.252994     -1.683013
      2         O      4.850782     -5.778353     -0.687835
      3         O     -8.127997     -0.066029     -0.837792
      4         O      2.613405     -3.293045      4.924441
      5         O      0.493094      8.222568      0.162025
      6        Nb     -2.619434      2.930299     -1.231229
      7         O      1.057156     -2.059722      3.056015
      8         O      7.832918     -6.022208     -1.142666
      9         O      5.246716     -8.524147      3.624945
     10         O      3.960574     -5.831208      4.099360
     11        Nb      3.354855     -5.440200      0.457193
     12        Nb      3.843020     -3.927226      3.746917
     13         O      1.684408      6.556786      2.261603
     14        Nb      1.966876     -2.670016      1.425041
     15         O      5.557337     -3.470934      4.453103
     16        Nb     -3.673162     -0.535232      0.235394
     17        Nb     -6.198007     -1.771555      1.884369
     18         O     -4.409324     -1.369017     -1.455037
     19         O     -8.026070     -6.202825      1.423181
     20        Nb     -6.374127     -0.433453     -1.526385
     21         O      6.290765     -3.477007     -0.367806
     22         O      6.390854     -7.060852      1.261323
     23        Nb      1.316107      3.543847     -0.145831
     24        Nb      5.260704     -2.569845      0.947549
     25        Nb      5.218719     -6.893357      2.889460
     26        Nb     -4.826992     -3.454926     -0.803878
     27         O     -5.699988     -1.149087      3.483462
     28         O     -0.702881     10.337043     -1.638115
     29         H      0.615767     -5.352577     -1.091479
     30         O    -10.733461     -0.988048      0.403431
     31         O      7.932695     -4.719570      1.536778
     32         O     -5.530764     -4.922107      0.154017
     33        Nb     -7.550704     -4.649368      0.674906
     34        Nb      3.910512      0.818780      0.521769
     35        Nb     -9.096016     -1.632629      0.079846
     36         O     -1.063948      7.284340     -1.890327
     37        Nb      6.721222     -5.468551      0.145970
     38        Nb     -1.229652     -3.792577     -0.237798
     39        Nb     -7.670936     -3.374386     -2.512226
     40        Nb      1.656329      6.720011      0.483172
     41        Nb     -0.204450      5.636165     -2.212886
     42        Nb      7.146347     -4.073374      3.246640
     43         O      3.407408     -3.329774      0.075744
     44         O      1.716777      7.402604     -6.194453
     45         O      8.570984     -3.609425      4.225502
     46         O      1.638446      6.667264     -1.955997
     47         O      5.046218      1.997284     -0.508714
     48        Nb      0.321573      8.878471     -1.778359
     49        Nb      3.177313      4.926645     -2.379613
     50        Nb      3.699528      8.231413     -1.803432
     51        Nb      1.721303      7.180109     -4.418708
     52         O      2.255285     -4.452144      2.131645
     53         H      4.701603      2.533125     -1.313630
     54         O     -9.140700     -3.492780      0.833641
     55         O     -1.453520     -4.667534      1.275551
     56         O     -5.622177     -3.849743     -2.480895
     57         O     -6.924783     -1.491741     -3.014838
     58         O     -8.015051     -1.086452      1.703274
     59         O      2.313656     -0.635577      0.647564
     60         O     -2.841414     -0.301033      2.057218
     61         O     -3.745509      2.463955     -2.724546
     62         O      0.532144      8.619966     -3.747663
     63         O     -6.729550     -3.592124      2.234251
     64         O     -5.880277      1.148968     -2.272464
     65         O      0.178155      5.313717     -0.089244
     66         O     -8.228752     -4.007122     -4.092170
     67         H     -4.626188      1.942668     -2.539990
     68         O      0.791871      3.347617      1.792153
     69         O      3.783335     -2.260284      2.446243
     70         O     -1.857583     -1.714300     -0.272129
     71         O      5.084625     -4.555118      1.858514
     72         O     -2.866914      1.046212     -0.422723
     73         O     -1.661100      4.350629     -2.204927
     74         O      2.817976      5.411301     -4.183920
     75         O      2.172192      9.531760     -1.652935
     76         O      1.261219      3.954118     -2.125237
     77         O     -0.603899      2.469450     -0.602792
     78         O      6.661456     -2.324528      2.202983
     79         O      0.112680      5.863183     -4.068462
     80         O     -7.926274     -4.902832     -1.268974
     81         O     -5.516044     -0.033749      0.560403
     82         O      2.291933      1.906716     -0.121045
     83         O      3.311347      8.144300     -3.783926
     84         O      4.209478      3.437266     -2.489382
     85         O      6.737062     -5.925293      3.786685
     86         O      3.308444      7.685953      0.105204
     87         O      4.441918      6.330176     -2.003740
     88         O      2.769796      4.813320     -0.108113
     89         O      1.921944     -5.920161     -0.550777
     90         O     -6.695624     -2.460908     -0.398978
     91         O      3.625747     -6.965832      1.607919
     92         O     -4.369640     -2.380858      1.009909
     93         O     -2.982442     -3.979583     -1.124820
     94         O      0.465149     -2.733491      0.268801
     95         O      5.026707     -0.789662      0.214913
     96         O     -9.237343     -2.451650     -1.755314
     97         H     -1.100477     -1.282103      0.172410
     98         O      4.195273      1.295268      2.194938
     99         O     -3.566376      3.829342     -0.041285
    100         O     -0.243721     -4.907209     -1.465279
    101         H     -0.697520      1.722000      0.019174
    102         H      1.567264     -0.328595      0.098560
    103         H     -2.354437      0.543867      2.117148
    104         H      1.185154      2.536319      2.172164
    105         H      1.543163     -2.374405      3.878253
end

charge -15

