
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
  SubEnd
end

XC
  METAGGA M06L
end

atoms
      1        Mo      1.951734      1.039289     -2.215972
      2        Mo     -0.144209     -0.391488      0.268372
      3         H     -0.459848      5.306826     -2.358127
      4         O     -0.781509      4.312751      1.205920
      5         O     -1.157911     -1.712463      0.768238
      6        Mo      0.994222      1.349377      5.481451
      7         O      3.249068      2.206386     -2.339279
      8         O      2.725789      0.916780      6.245141
      9         O      3.015759      2.009040     -6.035234
     10         O     -0.118343      2.437343      4.407216
     11         O      3.644952      2.573174      1.143746
     12         O      1.548902      1.358502     -0.227806
     13         O     -1.065109      6.166103     -1.018521
     14         O     -0.026453     -0.449046     -1.533086
     15        Mo      1.133989      2.079098     -5.671270
     16        Mo      0.272116      3.036554     -0.141394
     17         O      1.032226     -0.039692      1.940422
     18         O      1.000609      4.815630      3.574912
     19         O      1.338650      0.996052     -4.043226
     20         O      0.603180     -0.268423      4.594816
     21         O     -2.177466      2.300078      2.663147
     22        Mo     -1.430471      3.044417     -3.156656
     23         O      2.590859      1.575963      3.635582
     24        Mo     -2.439540      5.093910      0.065744
     25         O     -2.524646      6.893652      0.855326
     26         O      0.879276      2.631436      1.724216
     27         H      1.678293      4.031336      5.067729
     28         O      0.510228      0.896739     -6.733703
     29         H     -2.874316      2.891298      2.289419
     30         H     -1.879526      1.747999      1.879462
     31         O      2.748194     -0.522075     -2.020681
     32         O      3.610730     -0.106811      1.379755
     33         O      0.095250      1.179825      6.928211
     34        Mo      2.396640      1.311625      1.904262
     35         H     -0.854458      7.070509     -0.714291
     36         H      2.778780      3.445713      6.045055
     37         O      0.789447      3.689932     -6.695376
     38         H      2.516539      3.519642     -3.577792
     39         O     -1.717531      4.813843      3.849144
     40         O     -1.117057      1.120113      0.516032
     41         O      1.407830      4.276868     -0.488572
     42         O      0.264712      2.298393     -1.976742
     43         H     -1.385977      0.728448     -2.182968
     44         O     -0.723419      2.580025     -4.769704
     45         H      3.758824      2.585036      0.167904
     46        Mo     -0.433802      3.907831      3.125514
     47         H      3.307997      1.204977     -6.518140
     48         O      1.801538     -1.835768      0.078219
     49         O     -3.013186      3.744559     -3.432503
     50         O     -2.082586      1.307200     -2.594490
     51         O     -0.334361      4.699959     -3.154926
     52         O     -1.515862      3.574088     -0.965857
     53         O     -3.801424      5.022320     -1.243805
     54         O     -3.431638      4.530528      1.394372
     55         H      3.452694      1.014320      5.590939
     56         H      3.121730     -0.926805      1.111994
     57         H      2.164054     -1.617308     -0.830254
     58         H      1.593542     -2.792528      0.068493
     59         O      1.818850      3.423830      5.848128
     60         O      1.925425      3.866339     -4.288347
     61         H      1.150117      4.291545     -3.795837
     62         H     -3.546890      4.682932     -2.157460
     63         H      0.725382     -0.268768      3.585603
     64         H     -3.090377      6.853240      1.656926
     65         H      0.217896      3.506663     -7.473430
end

charge -1

