
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      2.477649      0.034351     -0.146928
      2        Nb     -2.522371      0.037628      0.083589
      3        Nb     -0.048465     -2.119934     -0.636120
      4        Nb     -0.080385      1.839855     -1.436281
      5        Nb      0.081962      0.134187      2.224115
      6         O     -0.017199      0.241946     -0.109713
      7         O      4.290365      0.051290     -0.257524
      8         O     -4.336175      0.055259      0.147621
      9         O      1.990900     -1.686960     -0.827983
     10         O     -2.108892      1.588838     -0.998670
     11         O      2.119910      0.067964      1.728398
     12         O     -1.988752      0.076068      1.916993
     13         O     -0.147329     -1.514804     -2.645089
     14         O     -0.163821      1.397946     -3.209429
     15         O     -0.058223     -3.910276     -0.927236
     16         O     -0.075864      3.655226     -1.216623
     17         O      0.042197     -1.962613      1.257293
     18         O      0.100612      1.943935      2.463206
     19         O      0.158029     -0.551356      3.917556
     20         O     -2.096920     -1.685894     -0.630600
     21         O      1.976498      1.592494     -1.184479
     22         H     -0.156501     -0.546371     -2.839089
end

charge -6

