
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
    Nb=2.025
    W=1.992
    V=1.908
  SubEnd
end

XC
  GGA BP86
end

atoms
      1        Nb      1.257138      4.377003      3.557194
      2        Nb     -0.273590      2.370838      7.056685
      3        Nb     -1.671698      2.916581      4.110743
      4        Nb      0.356395      5.576011      6.530325
      5         O     -1.898895      1.341545      3.214419
      6         O     -0.984627      6.794261      6.629180
      7         O     -0.433829      3.765130      2.737213
      8         O     -0.219550      4.097743      7.904872
      9         O     -0.132264      3.840407      5.318460
     10         O      2.347872      2.991549      4.129205
     11         O     -0.458300      1.236096      8.460339
     12         O      2.088123      5.088584      2.087687
     13         O      1.445999      1.720448      6.317838
     14         O     -1.832608      1.995150      5.994064
     15         O      1.280663      5.948308      4.758914
     16         O     -3.211817      3.868747      3.988262
     17         O      1.729290      6.154761      7.587646
     18         H      1.742800      2.237138      5.485154
end

charge -5

