
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
  METAGGA M06L
end

atoms
      1        Nb      1.591987      1.667868      2.973980
      2         O      2.433500      0.288725      1.831634
      3         O      3.941718      1.830341      3.546205
      4         O      2.052883      3.112399      1.690664
      5         O      1.659779      2.948079      4.516593
      6         O      1.851879      0.182707      4.619641
      7         O     -0.167814      1.404811      2.714931
      8         O      5.827757      0.598951      5.349592
      9        Nb      4.460936      0.253895      1.812991
     10        Nb      3.959082      3.621182      1.692111
     11        Nb      3.971236     -0.003749      5.125962
     12        Nb      6.317977      2.044330      4.061595
     13        Nb      3.466202      3.609154      5.016289
     14         O      3.106556      4.823106      6.299373
     15         O      4.261093     -0.970510      3.505682
     16         O      3.809975     -1.278968      6.378222
     17         O      8.079035      2.278804      4.338894
     18         O      5.471969      3.416589      5.203909
     19         O      4.834741     -0.982574      0.557058
     20         O      4.470575      1.959999      0.743806
     21         O      6.274579      0.751541      2.535926
     22         O      3.694710      4.676297      3.383335
     23         O      4.093255      4.882969      0.427276
     24         O      6.051423      3.520212      2.408729
     25         O      3.455705      1.785991      6.328621
     26         H      6.475712      3.030157      1.672797
     27         H      1.621566     -0.686376      4.232611
     28         H      4.251947      1.900832      6.887223
end

charge -5

