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
    Mo=1.992
    Nb=2.025
    W=1.992
    V=1.908
  SubEnd
end

ScanFreq -1000 0

XC
  GGA PBE
end

atoms
      1         W     -1.573810      3.256700     -0.259700
      2         W      1.104400      0.185800      2.708200
      3         W      0.836000     -3.419100     -0.730000
      4         W     -2.350300     -0.553100     -3.381400
      5         W      1.746800      2.594100     -0.080900
      6         W      1.328600     -1.214800     -3.256200
      7         W     -2.807800     -2.635200     -0.936300
      8         W     -2.074500      0.801100      2.504800
      9         W     -0.991400     -2.245900      2.308200
     10         W     -3.928600      0.395300     -0.719500
     11         W      0.054100      2.290800     -3.006800
     12         W      3.005800     -0.917600     -0.320200
     13         O     -0.256700      1.546800     -0.893900
     14         O     -0.545400     -0.337000      1.421800
     15         O      0.837100     -1.174900     -0.910500
     16         O     -2.084800     -0.589800     -1.240900
     17         O     -3.370000      0.396300      1.131300
     18         O      2.714300      1.000300     -0.524800
     19         O     -2.310100     -2.549500      0.925700
     20         O      1.136400      0.689400     -3.287000
     21         O      2.333000     -0.690500      1.455400
     22         O     -1.443400      1.185600     -3.445900
     23         O      0.265600     -3.101900      1.070900
     24         O     -3.013600      2.131700     -0.822000
     25         O     -1.022300     -3.348900     -1.219800
     26         O     -1.692500      2.391500      1.452000
     27         O     -0.554800     -1.298500     -3.576500
     28         O      1.404700      1.776100      1.613300
     29         O      1.555300      3.000400     -1.979500
     30         O     -2.225400     -1.026900      3.206100
     31         O      3.001800     -1.027600     -2.269700
     32         O     -4.373100     -1.498300     -0.583800
     33         O     -1.096800      3.598600     -2.147800
     34         O      2.658900     -2.830500     -0.256200
     35         O     -3.956600      0.317700     -2.689600
     36         O      0.529900     -1.563600      3.361200
     37         O     -0.418700      1.077200      3.534500
     38         O     -2.996700     -2.318700     -2.871200
     39         O      0.244300      3.803500      0.210900
     40         O      1.284100     -3.052800     -2.595200
     41         O     -2.400200      4.767400      0.046700
     42         O      2.224300      0.502300      4.022200
     43         O      1.131200     -5.142800     -0.710200
     44         O     -2.902100     -0.641200     -5.045300
     45         O      3.051100      3.674900      0.312600
     46         O      1.965600     -1.511400     -4.847100
     47         O     -3.715500     -4.133700     -0.942000
     48         O     -3.123700      1.510100      3.715400
     49         O     -1.309000     -3.608700      3.369000
     50         O     -5.581400      0.967600     -0.565900
     51         O      0.325600      3.132300     -4.514200
     52         O      4.730600     -0.957500     -0.043100
     53         H      0.189800     -0.777000     -0.265700
     54         H     -0.755600      0.685500     -0.839300
end

charge -6

geometry
end

