
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     -1.504764      3.153950     -0.274325
      2         W      1.083239      0.191225      2.680726
      3         W      0.823682     -3.422930     -0.742789
      4         W     -2.334028     -0.563698     -3.360729
      5         W      1.665679      2.630079     -0.120650
      6         W      1.330625     -1.238897     -3.259465
      7         W     -2.826610     -2.664663     -0.953946
      8         W     -2.081674      0.772360      2.528766
      9         W     -1.000942     -2.249557      2.298210
     10         W     -3.918708      0.351363     -0.708575
     11         W      0.091962      2.276958     -2.926655
     12         W      2.981152     -0.866858     -0.347826
     13         O     -0.097877      1.696293     -0.879572
     14         O     -0.588079     -0.334221      1.475841
     15         O      0.812862     -1.144859     -1.029719
     16         O     -2.126404     -0.680475     -1.248232
     17         O     -3.383333      0.373700      1.147443
     18         O      2.702561      1.002911     -0.544101
     19         O     -2.327496     -2.565425      0.920513
     20         O      1.159042      0.655577     -3.282315
     21         O      2.291643     -0.703880      1.434475
     22         O     -1.418288      1.139399     -3.389961
     23         O      0.247455     -3.091032      1.060112
     24         O     -2.969491      2.056788     -0.832331
     25         O     -1.040072     -3.382057     -1.225029
     26         O     -1.672632      2.351323      1.459962
     27         O     -0.550215     -1.338950     -3.591843
     28         O      1.393588      1.767932      1.598887
     29         O      1.663402      3.068168     -2.044310
     30         O     -2.261519     -1.049906      3.227639
     31         O      3.028863     -1.063458     -2.293562
     32         O     -4.405530     -1.536354     -0.571314
     33         O     -1.109157      3.601355     -2.187230
     34         O      2.605685     -2.800672     -0.267615
     35         O     -3.960435      0.290524     -2.684429
     36         O      0.517047     -1.576388      3.356912
     37         O     -0.431692      1.080169      3.560329
     38         O     -3.006328     -2.364878     -2.887864
     39         O      0.271427      3.911846      0.268834
     40         O      1.280046     -3.097263     -2.608623
     41         O     -2.335201      4.685494     -0.002552
     42         O      2.204345      0.488248      4.007266
     43         O      1.116677     -5.147763     -0.691692
     44         O     -2.899816     -0.652292     -5.027226
     45         O      3.009082      3.702544      0.264272
     46         O      1.978770     -1.551961     -4.855812
     47         O     -3.751951     -4.164466     -0.956402
     48         O     -3.134234      1.499684      3.739122
     49         O     -1.318884     -3.614614      3.366351
     50         O     -5.569624      0.947749     -0.564564
     51         O      0.352346      3.105518     -4.459094
     52         O      4.703580     -0.935573     -0.039797
     53         H      0.077834     -0.572365     -0.687513
end

charge -7

