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     -3.328277      1.411783     -0.661738
      2         O     -4.478790     -3.070172     -0.709655
      3        Mo      3.049459     -1.990069     -0.557302
      4        Mo      1.208294      1.548825      2.210147
      5        Mo     -3.093145     -2.074640     -0.476272
      6        Mo      0.962667     -2.209774      2.185506
      7        Mo      3.109968      1.819192     -0.639785
      8         O      1.346723     -2.795801      3.755985
      9         O      4.724986      2.407020     -0.758947
     10        Mo     -0.036600      3.353346     -0.470319
     11        Mo     -2.155610     -0.101676      2.202691
     12        Mo      0.167738     -4.032567     -0.627427
     13         O     -1.606000     -0.241294     -0.151579
     14         O     -0.048239     -0.370903     -2.513523
     15         O      0.768229     -1.643002     -0.152350
     16         O      0.790540      1.126896     -0.176077
     17         O     -0.100894      2.720199     -2.364819
     18         O     -1.739960     -3.282160     -0.171980
     19         O      2.753656      1.137054     -2.413072
     20         O     -0.797181     -1.525114      2.392618
     21         O     -0.374814     -3.505501     -2.381179
     22         O     -0.708572      1.102431      2.392472
     23         O      2.484498     -1.592692     -2.410846
     24         O     -1.747508      2.762803     -0.224211
     25         O      3.450477     -0.220165     -0.272185
     26         O     -2.516703      1.538250     -2.387612
     27         O      1.514339     -0.297915      2.379567
     28         O     -2.474901     -1.859032     -2.358983
     29         O     -3.280883     -1.504489      1.334264
     30         O     -0.083479     -5.736646     -0.660832
     31         O      0.373731     -3.799100      1.334790
     32         O      2.071660      3.312455     -0.864203
     33         O     -3.245468      1.189417      1.297512
     34         O      1.966049     -3.840864     -0.890920
     35         O      0.558245      3.220712      1.335076
     36        As     -0.016553     -0.255919     -0.843807
     37         O     -0.219335      5.055916     -0.665661
     38         O      2.874212      1.846886      1.304634
     39         O     -4.106569     -0.231524     -0.886249
     40         O      2.716044     -2.444124      1.277996
     41         O     -4.656346      2.504051     -0.774014
     42         O     -2.862837     -0.099888      3.769601
     43         O      4.587797     -2.713579     -0.840340
     44         O      1.569796      2.152670      3.778332
     45         H      1.507821     -1.454262     -2.573191
     46         H     -1.196963     -2.918535     -2.469200
     47         H     -1.585240      1.929464     -2.475492
     48         H     -1.851486     -1.095431     -2.538957
     49         H      0.589500      2.056105     -2.598728
     50         H      2.716882      0.138020     -2.520846
end

charge -3

geometry
end

