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
    Ta=2.025
    W=1.992
    V=1.908
    Nb=2.025
  P=2.13
    I=2.32
    Si=2.480
    As=1.967
    Sb=2.100
    SubEnd
end

ScanFreq -1000 0

XC
  GGA PBE
end

atoms
      1        Mo     -3.069598      1.414860     -0.574672
      2         O     -4.460245     -3.010298     -0.668960
      3        Mo      2.970811     -2.072572     -0.574672
      4        Mo      0.815381      1.144784      2.159295
      5        Mo     -3.069598     -1.923734     -0.574672
      6        Mo      0.815381     -1.648478      2.159295
      7        Mo      2.970811      1.563698     -0.574672
      8         O      1.009905     -1.985403      3.830018
      9         O      4.607126      2.224751     -0.668960
     10        Mo      0.079504      3.232995     -0.574672
     11        Mo     -1.603655     -0.251847      2.159295
     12        Mo      0.079504     -3.741869     -0.574672
     13         O     -1.548819     -0.254437      0.140927
     14         O     -0.006428     -0.254437     -2.012581
     15         O      0.764768     -1.590187      0.140927
     16         O      0.764768      1.081313      0.140927
     17         O     -0.102224      2.147783     -2.574938
     18         O     -1.687727     -3.166533      0.060072
     19         O      2.121854      0.863711     -2.574938
     20         O     -0.498181     -1.130373      2.141778
     21         O     -0.102224     -2.656657     -2.574938
     22         O     -0.498181      0.626679      2.141778
     23         O      2.121854     -1.372585     -2.574938
     24         O     -1.687727      2.657659      0.060072
     25         O      3.356171     -0.254437      0.060072
     26         O     -2.038913      1.029635     -2.574938
     27         O      1.023471     -0.251847      2.141778
     28         O     -2.038913     -1.538509     -2.574938
     29         O     -2.949342     -1.493576      1.447805
     30         O     -0.166165     -5.489486     -0.668960
     31         O      0.412856     -3.434742      1.447805
     32         O      1.957738      3.147598     -0.806793
     33         O     -2.949342      0.989882      1.447805
     34         O      1.957738     -3.656472     -0.806793
     35         O      0.412856      2.931048      1.447805
     36        As     -0.006428     -0.254437     -0.331814
     37         O     -0.166165      4.980612     -0.668960
     38         O      2.563594      1.689319      1.447805
     39         O     -3.934759     -0.254437     -0.806793
     40         O      2.563594     -2.193013      1.447805
     41         O     -4.460245      2.501424     -0.668960
     42         O     -1.992702     -0.251847      3.830018
     43         O      4.607126     -2.733625     -0.668960
     44         O      1.009905      1.481709      3.830018
     45         H      1.541989     -1.892816     -3.025623
     46         H      2.145535      0.044327     -2.946488
     47         H     -1.589665      1.658639     -3.035947
     48         H     -2.347763     -0.749071     -2.877262
     49         H      0.702500      1.985354     -2.943768
end

charge -4

geometry
end

