
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      5.149504      7.244897     10.872710
      2         O      3.791543      4.929432      5.934545
      3        Nb      4.635519      6.856394      6.080054
      4         O      8.455867      4.536986      8.028433
      5         O      6.381535      5.916697      6.359255
      6         O      5.324813      8.413633      7.096857
      7         O      4.709255      7.388068      4.361859
      8        Nb      3.675820      4.093507      7.648013
      9         O      6.286525      4.777000     10.135743
     10         O      2.760459      7.377608      6.654284
     11         O      3.614311      3.745770      9.805792
     12         O      1.900704      5.076388      8.155853
     13         O      5.344940      2.124290     12.479193
     14        Nb      5.473175      8.241078      9.094278
     15        Nb      2.287947      7.123861      8.543425
     16         O      7.077262      7.086345      8.822162
     17         O      6.165965      9.818984      9.616097
     18        Nb      4.543640      5.418324     10.648418
     19         O      2.524729      6.161272     10.424330
     20         O      4.734182      1.073503      9.095820
     21        Nb      1.349654      4.401483     10.209864
     22        Nb      2.750140      1.416275      9.399240
     23         O      2.949179      2.377369      7.444289
     24         O     -0.351869      5.015316     10.305023
     25         O      1.117614      2.572162      9.467108
     26         O      2.848242      1.296497     11.345521
     27         O      2.076760     -0.186342      8.948562
     28        Nb      6.785946      5.202407      8.185592
     29         O      0.649606      7.857831      8.654603
     30         O      4.484217      6.010524      8.452328
     31         O      5.583535      3.604604      7.740053
     32         O      3.460701      8.567864      9.153401
     33        Nb      3.636060      2.752780     12.504788
     34         O      4.347125      4.746477     12.400774
     35         O      1.762752      3.848883     11.960654
     36         O      3.103299      2.427294     14.208226
     37         H      5.181237      1.921184      8.858195
end

charge -8

