
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      5.117568      7.177068     10.840401
      2         O      3.906414      4.824587      6.210907
      3         V      4.578484      6.743244      6.324199
      4         O      8.083397      4.507715      8.352416
      5         O      6.290677      5.811405      6.624679
      6         O      5.279742      8.186129      7.216983
      7         O      4.658546      7.147962      4.759541
      8         V      3.695335      4.108635      7.752007
      9         V      5.759736      2.775642      9.840428
     10         O      7.301378      2.239122      9.708460
     11         O      3.571115      3.814959      9.884732
     12         O      2.099238      5.036823      8.214185
     13         O      5.289505      2.531098     11.603480
     14         V      5.280405      8.127633      9.058456
     15         V      2.395807      6.930043      8.597585
     16         O      6.895107      6.987883      8.934757
     17         O      5.886491      9.557928      9.511161
     18         V      4.458531      5.600787     10.693003
     19         O      2.664710      6.134200     10.373999
     20         O      4.688578      1.370087      9.317607
     21         V      1.627530      4.294632     10.152960
     22         V      2.870785      1.582492      9.389600
     23         O      3.037150      2.532234      7.604501
     24         O      0.075763      5.204944     10.099312
     25         O      1.259922      2.722891      9.512511
     26         O      2.877408      1.522872     11.230333
     27         O      2.262676      0.152994      8.937318
     28         V      6.530590      5.414846      8.300788
     29         O      0.854182      7.466504      8.730704
     30         O      4.583264      5.893369      8.561841
     31         O      5.491769      3.574327      8.071180
     32         O      3.464365      8.338906      9.126383
     33         V      3.585187      2.964026     12.121656
     34         O      4.249704      4.882584     12.234104
     35         O      1.866083      3.895770     11.825586
     36         O      3.509179      2.559365     13.686567
     37         O      6.055935      4.671774     10.228752
     38         O      2.870046      7.177470      6.838276
     39         H      8.046091      3.618705      8.803313
     40         H      0.114532      6.089750      9.640031
end

charge -4

