
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 1.198537 4.53382 3.455173
Nb -0.114223 2.400947 6.973368
Nb -1.598422 2.770411 3.943002
Nb 0.5196499999999999 5.66457 6.502721
O -2.321376 1.370751 2.98754
O -0.889207 6.824673 6.402958
O -0.150405 3.2023 2.678156
O 0.012855 4.190083 7.800626
O 0.01634 3.940045 5.173175
O 2.790246 3.668441 3.194636
O -0.760592 1.506566 8.445981
O 0.9767169999999999 5.764286 2.102734
O 1.52095 1.648286 6.657632
O -1.518277 1.793878 5.693953
O 1.650541 5.902018 4.874595
O -2.894687 4.059508 3.95322
O 1.740052 6.431521 7.655148
end

charge -6

geometry
end

