
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      5.138038      7.338880     10.880392
      2         O      3.905085      4.838529      6.015883
      3        Nb      4.676544      6.823667      6.097948
      4         O      8.571315      4.746141      8.157904
      5         O      6.435173      5.883801      6.464157
      6         O      5.366641      8.395825      7.101464
      7         O      4.772421      7.300939      4.393281
      8        Nb      3.860438      4.014286      7.692310
      9        Nb      5.912187      2.556287      9.949604
     10         O      7.547971      1.880092      9.874360
     11         O      3.663422      3.724054      9.844111
     12         O      1.859777      5.005859      8.142321
     13         O      5.396309      2.401093     11.813459
     14        Nb      5.493038      8.378657      9.065286
     15        Nb      2.323291      7.220026      8.539432
     16         O      7.089720      7.161670      8.949412
     17         O      6.157771      9.951487      9.534560
     18        Nb      4.471424      5.603001     10.687673
     19         O      2.486342      6.118641     10.366560
     20         O      4.744734      1.146227      9.310741
     21        Nb      1.299979      4.347325     10.270665
     22        Nb      2.730075      1.371620      9.380715
     23         O      3.021909      2.356557      7.508305
     24         O     -0.360942      4.962096     10.347956
     25         O      1.110744      2.562941      9.518984
     26         O      2.841710      1.316364     11.361829
     27         O      2.085531     -0.211833      8.910580
     28        Nb      6.910241      5.352196      8.268740
     29         O      0.674475      7.867833      8.602081
     30         O      4.454911      5.950176      8.505540
     31         O      5.737524      3.506193      7.959232
     32         O      3.467749      8.632946      9.146155
     33        Nb      3.525029      2.852739     12.391152
     34         O      4.248991      4.842099     12.382455
     35         O      1.744449      3.797280     12.052079
     36         O      3.452216      2.369897     14.092975
     37         O      6.226865      4.680807     10.204459
     38         O      2.803933      7.315841      6.659523
     39         H      1.200184      4.818214      7.443336
end

charge -5

