
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
  GGA BP86
end

atoms
      1         O      5.156550      7.246381     10.862092
      2         O      3.788531      4.944335      5.965847
      3        Ta      4.630439      6.839143      6.086247
      4         O      8.446241      4.547778      8.037057
      5         O      6.365320      5.917458      6.378836
      6         O      5.310298      8.390333      7.107819
      7         O      4.703073      7.376503      4.369624
      8        Ta      3.688264      4.096015      7.675548
      9         O      6.270188      4.782795     10.120907
     10         O      2.772570      7.368686      6.678351
     11         O      3.619461      3.763013      9.786395
     12         O      1.912114      5.078258      8.172625
     13         O      5.332168      2.131129     12.475511
     14        Ta      5.463412      8.238945      9.085890
     15        Ta      2.301231      7.116532      8.551011
     16         O      7.054757      7.080709      8.819466
     17         O      6.158618      9.819939      9.595331
     18        Ta      4.542693      5.438372     10.643702
     19         O      2.543555      6.151161     10.417679
     20         O      4.717884      1.043797      9.096398
     21        Ta      1.365775      4.395695     10.195407
     22        Ta      2.756011      1.424631      9.371582
     23         O      2.958163      2.378587      7.467824
     24         O     -0.331611      5.012815     10.313123
     25         O      1.131832      2.588366      9.469622
     26         O      2.864555      1.336553     11.312656
     27         O      2.058533     -0.175225      8.946963
     28        Ta      6.776080      5.212557      8.194519
     29         O      0.664027      7.851744      8.662312
     30         O      4.473459      6.003394      8.468213
     31         O      5.577840      3.624491      7.737995
     32         O      3.468317      8.547808      9.165118
     33        Ta      3.622689      2.771683     12.487176
     34         O      4.344530      4.738589     12.378984
     35         O      1.792114      3.853216     11.945645
     36         O      3.075550      2.426917     14.184036
     37         H      5.196661      1.873542      8.867829
end

charge -8

