
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     -0.955273     -0.065226     -0.609624
      2         O     -2.508777     -0.809032     -0.449282
      3         O     -0.936251      0.769074      1.404867
      4         O     -0.763571     -0.051227     -2.493005
      5         O      0.669198      1.566453     -0.774543
      6         O      0.178420     -1.247377     -0.056879
      7         O     -2.127041      1.917156     -0.672386
      8         H     -3.067477      1.798615     -0.923237
      9         H     -1.800192      2.658913     -1.222637
     10         H      0.121378     -0.226996     -2.875550
     11         H      0.917710      2.175880     -0.049863
     12         H      0.777848      2.077285     -1.602506
     13         H     -0.152764      0.648991      1.981200
     14         H     -1.279564      1.677844      1.541218
end

charge 1

