
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

XC
  GGA BP86
end

atoms
      1         W     -1.573609      3.256632     -0.259777
      2         W      1.104243      0.185811      2.708272
      3         W      0.835997     -3.419154     -0.729985
      4         W     -2.350331     -0.553086     -3.381366
      5         W      1.746990      2.594029     -0.080986
      6         W      1.328521     -1.214742     -3.256201
      7         W     -2.807886     -2.635346     -0.936490
      8         W     -2.074540      0.801056      2.505115
      9         W     -0.991496     -2.245856      2.308236
     10         W     -3.928483      0.395270     -0.719454
     11         W      0.054204      2.290716     -3.006875
     12         W      3.005704     -0.917476     -0.320291
     13         O     -0.256153      1.546828     -0.893890
     14         O     -0.545628     -0.336831      1.421936
     15         O      0.837093     -1.174863     -0.910533
     16         O     -2.084989     -0.589934     -1.241035
     17         O     -3.369986      0.395609      1.131528
     18         O      2.714529      1.000179     -0.524924
     19         O     -2.310438     -2.549120      0.925716
     20         O      1.136503      0.689506     -3.287362
     21         O      2.332929     -0.690489      1.455476
     22         O     -1.443396      1.185416     -3.445799
     23         O      0.265433     -3.101876      1.070984
     24         O     -3.013636      2.131412     -0.821872
     25         O     -1.022485     -3.349010     -1.219753
     26         O     -1.692612      2.391119      1.451958
     27         O     -0.554752     -1.298283     -3.576521
     28         O      1.404617      1.775919      1.613063
     29         O      1.555421      3.000317     -1.979567
     30         O     -2.225512     -1.026922      3.206388
     31         O      3.001883     -1.027704     -2.269789
     32         O     -4.373226     -1.498236     -0.584071
     33         O     -1.097003      3.598380     -2.147750
     34         O      2.659016     -2.830474     -0.256231
     35         O     -3.956487      0.317656     -2.689695
     36         O      0.530000     -1.563470      3.361253
     37         O     -0.418648      1.077572      3.534437
     38         O     -2.996601     -2.318623     -2.871467
     39         O      0.244424      3.803363      0.210729
     40         O      1.283760     -3.052772     -2.595126
     41         O     -2.400382      4.767066      0.046939
     42         O      2.224434      0.503032      4.021927
     43         O      1.131253     -5.142792     -0.710153
     44         O     -2.901749     -0.641052     -5.045452
     45         O      3.051182      3.674917      0.312578
     46         O      1.965598     -1.511575     -4.847035
     47         O     -3.715947     -4.133674     -0.942037
     48         O     -3.123850      1.510178      3.715585
     49         O     -1.309396     -3.608886      3.368761
     50         O     -5.581321      0.967293     -0.565433
     51         O      0.325714      3.132643     -4.513985
     52         O      4.730560     -0.957230     -0.043292
     53         H      0.190158     -0.776471     -0.265670
     54         H     -0.755133      0.685625     -0.838911
end

charge -6

