
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
    Ta=2.025
    W=1.992
    V=1.908
  SubEnd
end

XC
  GGA BP86
end

atoms
      1         O      2.490384     -2.779743     -4.453189
      2         O     -0.109244     -2.901258     -3.981995
      3         O     -0.303151     -4.946350     -5.930635
      4         O      0.368152     -2.263913     -6.651897
      5         O      1.882039     -5.066980     -4.200248
      6         O      2.889142     -7.650149     -5.294344
      7         O      0.729150     -6.218419     -1.724684
      8         O      0.225699     -7.145239     -4.524207
      9         O      1.973988     -8.584241     -2.776396
     10         O      3.430636     -6.165989     -2.804013
     11         O      4.763300     -4.502085     -4.603407
     12         O      2.349125     -4.099626     -1.414190
     13         O      3.606496    -10.555580     -2.283353
     14         O      1.154658    -10.498472     -0.670651
     15         O      2.011530      0.052348     -4.657960
     16         O      5.049384     -4.572693     -1.966621
     17         O      7.257370     -3.260875     -0.553971
     18        Mo      3.482724     -4.229170     -3.378273
     19         O      6.633955     -6.438264     -0.499068
     20        Mo      2.658926     -9.556952     -0.762983
     21         O      2.138621     -7.930823     -0.061479
     22         H      1.201495     -6.860751     -1.122775
     23         O      4.054255     -2.438587     -2.672890
     24         O      3.674334    -10.273635      0.506362
     25         H      6.113106     -3.393220     -3.802884
     26         O      6.240326     -0.798084     -1.325238
     27         O      1.414958     -1.498406     -2.286791
     28         O      6.183261     -6.745000     -3.342022
     29         H      0.832554     -2.061104     -2.888378
     30         H      5.249124     -1.331426     -4.160355
     31         O      4.611793     -8.155984     -1.320249
     32         H      3.378067     -9.995808     -3.056523
     33         O      4.607786     -0.688973     -4.546110
     34         H      2.982094     -4.627564     -6.265020
     35         O      6.644556     -2.715482     -3.314536
     36         O      4.513981     -2.686173     -0.055339
     37         O      2.332011     -4.125419     -6.795664
     38         O      3.779521     -5.949643      0.012211
     39         O      3.321436      0.457413     -2.188196
     40        Mo      5.273589     -6.510125     -1.611736
     41        Mo      5.920052     -2.525634     -1.439531
     42        Mo      2.935869     -0.767296     -3.394762
     43        Mo      0.843629     -3.438489     -5.424569
     44        Mo      1.925562     -7.143517     -3.897221
     45         H      1.971324     -3.186456     -1.476177
     46         H      3.124983     -6.753876     -0.004578
     47         H      3.265123     -5.199653     -0.419840
     48         H      3.744145     -3.151550     -0.486969
     49         H      1.272865     -5.367528     -1.629576
     50         H      5.786398     -6.057881     -3.940300
     51         H     -0.089361     -5.770285     -5.380188
end

charge -7

