
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
  HYBRID B3LYP
end

atoms
      1         O     -6.405447     -1.651538     -2.921010
      2        Nb     -0.979870     -4.329440     -0.904604
      3         O     -7.976097     -0.111888     -1.100424
      4        Nb     -7.188632     -3.486222     -2.439811
      5         O     -4.559496     -2.319432      1.479400
      6         O     -2.878687     -4.193714     -0.277060
      7         O     -8.278610     -0.974685      1.484332
      8         O     -5.540071      1.047146     -2.228485
      9         O     -0.397782     -2.604977     -1.289259
     10         O     -3.347566      0.034754      2.653676
     11         O     -0.866365     -5.374743     -2.414202
     12         O     -7.460417     -4.224443     -4.069023
     13         O     -1.786306     -1.201520      0.525595
     14         O     -7.693399     -4.971716     -1.188942
     15         O     -5.667855     -0.054255      0.658505
     16        Nb     -3.569034     -0.354036      0.667525
     17        Nb     -6.463638     -1.589684      1.954899
     18         O     -4.199610     -1.436107     -1.012253
     19         O     -8.208106     -6.071701      1.545297
     20        Nb     -6.078407     -0.463567     -1.410161
     21         O     -8.907476     -2.565223     -2.040961
     22         H     -1.333899     -1.725627     -0.212066
     23         H     -3.050531      0.960200      2.749633
     24         O     -7.085303     -3.402813      2.368133
     25         O     -9.255881     -3.438946      0.594871
     26        Nb     -4.656246     -3.440074     -0.257432
     27         O     -6.266332     -0.877813      3.597189
     28         O     -3.193946      1.284104      0.045359
     29         O     -5.212293     -3.952390     -2.041134
     30         O    -10.737849     -0.974564     -0.258504
     31         O      0.058328     -5.066799      0.426182
     32         O     -5.562817     -4.877546      0.622576
     33        Nb     -7.621753     -4.549454      0.766956
     34         O     -6.681690     -2.526351     -0.270178
     35        Nb     -9.054637     -1.626049     -0.266205
end

charge -8

