
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      1.658692      1.660833      3.072092
      2         O      2.469996      0.146480      1.847577
      3         O      3.997607      1.843451      3.477116
      4         O      2.170918      3.030502      1.739630
      5         O      1.697565      2.968776      4.558137
      6         O      2.032808      0.092152      4.434199
      7         O     -0.121175      1.550629      2.772558
      8        Nb      1.919711     -1.837254      3.028330
      9        Nb      4.488992      0.310376      1.640436
     10        Nb      4.109363      3.637401      1.819054
     11        Nb      3.865550      0.235685      5.307251
     12        Nb      6.319367      2.070503      3.880211
     13        Nb      3.547838      3.570736      5.148492
     14         O      3.195547      4.828370      6.410696
     15         O      4.220673     -1.040211      3.451265
     16         O      2.544237     -2.890344      1.639870
     17         O      2.043885     -2.951996      4.501442
     18         O      0.103788     -1.714131      2.715428
     19         O      4.918223     -0.899819      0.370583
     20         O      4.441973      1.958448      0.639316
     21         O      6.276210      0.646865      2.426904
     22         O      3.671080      4.667522      3.480040
     23         O      4.187918      4.949665      0.565602
     24         O      6.001301      3.449591      2.424311
     25         O      3.485504      1.840447      6.305097
     26         O      5.812420      0.587303      5.170443
     27         O      3.860027     -1.034185      6.592074
     28         O      8.106925      2.242795      4.183609
     29         O      5.535195      3.396415      5.199158
     30         H      5.007476     -1.604622      3.571173
end

charge -8

