
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      1.196177      4.535479      3.455696
      2        Nb     -0.115523      2.400686      6.972962
      3        Nb     -1.599346      2.767014      3.941304
      4        Nb      0.522052      5.665312      6.503821
      5         O     -2.326534      1.369670      2.986327
      6         O     -0.883135      6.829069      6.405426
      7         O     -0.145100      3.200342      2.682887
      8         O      0.010110      4.190642      7.800195
      9         O      0.012074      3.940982      5.173024
     10         O      2.789261      3.672193      3.197194
     11         O     -0.763371      1.507121      8.445738
     12         O      0.974294      5.763565      2.101610
     13         O      1.521206      1.650751      6.658328
     14         O     -1.511894      1.792282      5.692860
     15         O      1.647987      5.904724      4.873459
     16         O     -2.896197      4.055185      3.947971
     17         O      1.746638      6.427088      7.655816
end

charge -6

