
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     -6.613166     -1.555556     -3.037206
      2        Nb     -0.911054     -3.724845     -0.396618
      3         O     -8.017487     -0.078509     -0.987780
      4        Nb     -7.379398     -3.433687     -2.537300
      5         O     -4.537177     -2.341075      1.292005
      6         O     -2.930500     -3.944958     -0.558517
      7         O     -8.173711     -1.075265      1.590844
      8         O     -5.681876      1.112483     -2.255629
      9         O      0.116868     -2.761038     -1.541623
     10         O     -3.135148     -0.247621      2.439866
     11         O     -0.563457     -5.607366     -1.051315
     12         O     -7.763927     -4.107176     -4.155943
     13         O     -1.672240     -1.549495      0.120237
     14         O     -7.803268     -4.952746     -1.310833
     15         O     -5.609868     -0.026992      0.682389
     16        Nb     -3.426608     -0.564102      0.471472
     17        Nb     -6.407194     -1.809828      1.998500
     18         O     -4.329876     -1.371553     -1.157383
     19         O     -8.225590     -6.198838      1.361179
     20        Nb     -6.198580     -0.446857     -1.541858
     21         O     -9.024154     -2.496070     -1.969345
     22         H     -1.038834     -1.056892     -0.439636
     23         H     -2.736154      0.635641      2.569051
     24         O     -6.999358     -3.604807      2.315698
     25         O     -9.237104     -3.485551      0.633701
     26        Nb     -4.782239     -3.471766     -0.482078
     27         O     -6.091257     -1.150571      3.633538
     28         O     -3.012222      1.065867     -0.083691
     29         H     -0.595515     -5.683964     -2.024251
     30         O    -10.717485     -0.964189     -0.012863
     31         O     -0.160315     -3.853217      1.235598
     32         O     -5.583837     -4.947611      0.394430
     33        Nb     -7.660799     -4.653672      0.648019
     34         O     -6.701878     -2.500847     -0.330175
     35        Nb     -9.056319     -1.627481     -0.150657
     36         O     -5.373538     -3.889376     -2.263583
     37         H     -5.851143      0.870770      0.981235
end

charge -6

