
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
  GGA BP86
end

atoms
      1         O      5.134061      7.285219     11.008649
      2         O      4.239988      4.817488     12.453904
      3        Nb      4.691209      6.760469      6.312310
      4         O      8.267155      4.404116      8.320227
      5         O      6.086628      5.376229      6.592366
      6         O      5.359338      8.354278      7.151729
      7         O      4.721871      7.025581      4.555869
      8        Nb      6.717244      5.258038      8.454242
      9         O      0.655485      7.370617      8.688034
     10         O      4.609167      6.265369      8.603062
     11         O      5.859729      4.403920     10.020297
     12         O      3.363890      8.524013      9.174074
     13         O      2.765037      6.680674      6.745460
     14        Nb      5.380522      8.119762      9.194215
     15        Nb      2.381537      6.949679      8.668102
     16         O      7.102786      7.081559      8.999438
     17         O      5.977670      9.916604      9.583446
     18        Nb      4.418015      5.487350     10.820949
     19         O      2.565114      5.693232     10.195046
     20         H      5.800225     10.795392      9.197837
end

charge -2

