
AnalyticalFreq
end

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
    Nb=2.025
  SubEnd
end

ScanFreq -1000 0

XC
  GGA PBE
end

atoms
Nb -2.134351 -0.005861 0.50029
Nb 0.243871 2.725646 -0.263244
Nb 0.256613 -2.740372 -0.250949
Nb 2.654468 -0.006264 -0.983252
O -1.368289 1.597262 -0.350736
O -1.359966 -1.617381 -0.326631
O 1.859425 1.601894 -0.171994
O 1.873354 -1.618415 -0.163576
O -1.771829 0.008751999999999999 2.266614
O 0.289774 3.781635 -1.727738
O 0.297837 -3.790137 -1.719818
O 2.340869 -0.012013 -2.759262
O -3.929091 -0.009169 0.28372
O 0.19657 3.786971 1.197132
O 0.21666 -3.809105 1.204106
O 4.442755 0.003087 -0.718832
end

charge -4

geometry
end

