
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        Nb     -1.892380      0.028323      1.314752
      2        Nb      0.147209      2.537288     -0.613407
      3        Nb      0.120616     -2.528711     -0.578201
      4        Nb      2.901296     -0.007459     -0.772162
      5         O     -1.329300      1.574338      0.351366
      6         O     -1.351842     -1.525304      0.350097
      7         O      1.852631      1.614634     -0.366076
      8         O      1.832243     -1.612058     -0.351783
      9         O     -1.080335      0.022147      2.882307
     10         O     -0.266270      2.608924     -2.360917
     11         O     -0.286850     -2.655111     -2.324019
     12         O      3.387292     -0.017499     -2.506045
     13         O     -3.834181      0.038035      1.558039
     14         O      0.286831      4.227112     -0.011753
     15         O      0.245662     -4.198440      0.080164
     16         O      4.403579     -0.012477      0.226985
     17         H     -4.178541      0.032409      2.472953
end

charge -3

