
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      5.140575      7.312174     11.036567
      2         O      4.238670      4.842557     12.441157
      3        Nb      4.709850      6.806937      6.341832
      4         O      8.241553      4.420859      8.307038
      5         O      6.120216      5.436356      6.569250
      6         O      5.381945      8.409789      7.151472
      7         O      4.724915      7.064322      4.572948
      8        Nb      6.698867      5.312006      8.463054
      9         O      0.686525      7.393097      8.678322
     10         O      4.577224      6.187594      8.580394
     11         O      5.905772      4.449823     10.064534
     12         O      3.376449      8.584150      9.181627
     13         O      2.771615      6.754946      6.735715
     14        Nb      5.423186      8.254550      9.215471
     15        Nb      2.430010      6.994125      8.676712
     16         O      7.133058      7.103068      8.995980
     17         O      6.071718      9.839311      9.700777
     18        Nb      4.433454      5.543951     10.808520
     19         O      2.554105      5.767330     10.230530
end

charge -3

