
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        Nb      1.618060      1.655077      3.056764
      2         O      2.420876      0.193691      1.817931
      3         O      4.005148      1.864399      3.474595
      4         O      2.143188      3.050167      1.744029
      5         O      1.672664      2.981412      4.541589
      6         O      1.976420      0.136388      4.440950
      7         O     -0.171757      1.587903      2.756042
      8        Nb      1.983999     -1.796156      3.043819
      9        Nb      4.503093      0.212389      1.768249
     10        Nb      4.104881      3.581008      1.812347
     11        Nb      3.916760      0.134249      5.177074
     12        Nb      6.349706      2.115232      3.885292
     13        Nb      3.536839      3.504962      5.150705
     14         O      3.183283      4.760224      6.434756
     15         O      4.190116     -0.973433      3.441326
     16         O      2.561762     -2.861964      1.635188
     17         O      2.095833     -2.934129      4.509642
     18         O      0.154034     -1.667498      2.752066
     19         O      4.948170     -0.957609      0.451816
     20         O      4.431304      1.905181      0.716473
     21         O      6.314518      0.674595      2.444447
     22         O      3.684595      4.630122      3.482889
     23         O      4.185768      4.893742      0.539823
     24         O      6.025613      3.465732      2.422246
     25         O      3.502441      1.781874      6.221092
     26         O      5.851291      0.611944      5.157064
     27         O      3.910911     -1.093755      6.515582
     28         O      8.145106      2.298395      4.191098
     29         O      5.555000      3.406748      5.207721
end

charge -9

