
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        Nb      3.094900      1.822357     11.875071
      2        Nb      4.384363      5.302609     11.347526
      3        Nb      3.403213      8.562476     12.777548
      4         O      4.438095      5.115781      9.545632
      5         O      6.073894      5.593329     11.930835
      6         O      1.808901      1.418982     13.073447
      7         O      2.414149      1.653496     10.214635
      8         O      3.235765      6.802561     11.787762
      9         O      3.901360      8.279222     14.530125
     10         O      1.758710      9.400224     12.736752
     11         O      4.653056      9.637550     11.951985
     12         O      3.693139      3.656502     12.207167
     13         O      4.612058      0.520662     12.011176
     14         H      4.749459      0.152767     12.905589
end

charge -4

