
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
  GGA BP86
end

atoms
      1         W      3.872009      3.063270      6.423113
      2         W      6.790124      4.008976      9.856369
      3         W      4.015766      2.672078      9.805997
      4         W      3.581201      6.463225      7.943534
      5         W      7.319224      7.112969      9.213847
      6         W      4.387232      8.130783     10.745824
      7         O      5.742685      3.087000      8.630901
      8         O      7.700541      5.230388      8.733237
      9         O      3.510740      2.066968      7.980650
     10         O      3.970207      4.887567      6.809736
     11         O      1.876929      5.715493      8.336233
     12         O      7.350702      7.827756      7.630764
     13         O      4.392476      6.772968     11.861458
     14         O      6.157020      8.392609     10.170194
     15         O      6.799659      5.690429     10.990508
     16         O      5.302828      2.523529      5.585020
     17         O      3.885580      9.540612     11.630602
     18         O      5.168959      6.246702      8.813499
     19         O      3.151323      7.837232      9.378375
     20         O      2.526228      2.795906      5.351524
     21         O      8.024359      2.938292     10.412106
     22         O      2.621033      3.722729     10.025156
     23         O      5.248756      3.585244     10.992267
     24         O      8.845424      7.566212      9.908728
     25         O      3.581624      7.627024      6.667748
     26         O      3.732354      1.199547     10.677255
     27         H      5.932522      5.867808     11.451895
     28         H      1.934940      4.992953      9.031687
end

charge -2

