
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      5.136355      7.317682     10.907028
      2         O      3.940665      4.845297      6.060305
      3        Nb      4.671740      6.845085      6.074323
      4         O      8.595824      4.763161      8.105398
      5         O      6.454813      5.895940      6.420431
      6         O      5.369017      8.378206      7.107996
      7         O      4.754450      7.329367      4.379877
      8        Nb      3.872807      4.021444      7.729506
      9        Nb      5.883101      2.440078      9.935949
     10         O      7.515757      1.771383      9.887430
     11         O      3.695703      3.746220      9.880545
     12         O      1.878543      5.013446      8.170072
     13         O      5.380046      2.370439     11.802137
     14        Nb      5.500187      8.350428      9.075823
     15        Nb      2.297546      7.241363      8.514355
     16         O      7.096511      7.133091      8.954731
     17         O      6.162503      9.916660      9.546675
     18        Nb      4.308388      5.661330     10.720575
     19         O      2.412262      6.152080     10.399369
     20         O      4.712065      1.071742      9.303184
     21        Nb      1.241896      4.319600     10.262526
     22        Nb      2.680825      1.332228      9.374380
     23         O      3.046680      2.364256      7.543291
     24         O     -0.416406      4.918587     10.346997
     25         O      1.085132      2.550039      9.495544
     26         O      2.811713      1.304302     11.342168
     27         O      2.016696     -0.233392      8.903837
     28        Nb      6.938031      5.363663      8.189037
     29         O      0.665248      7.910948      8.560535
     30         O      4.487147      5.934774      8.571624
     31         O      5.768141      3.530142      8.050701
     32         O      3.469110      8.609887      9.147041
     33        Nb      3.510785      2.837834     12.374680
     34         O      4.241433      4.836760     12.389925
     35         O      1.725290      3.786285     12.030452
     36         O      3.427216      2.353819     14.069130
     37         O      6.300401      4.669708     10.281279
     38         O      2.802870      7.310313      6.648944
     39         H      1.234996      4.819313      7.455970
     40         H      6.939014      4.864600     10.999407
end

charge -4

