
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      5.130915      7.312466     10.890953
      2         O      3.951426      4.854713      6.072718
      3        Ta      4.679627      6.830320      6.083332
      4         O      8.590191      4.772373      8.095763
      5         O      6.442342      5.889489      6.430445
      6         O      5.358162      8.346085      7.127789
      7         O      4.757081      7.331809      4.389187
      8        Ta      3.864498      4.032370      7.737743
      9        Ta      5.873963      2.450746      9.929742
     10         O      7.503645      1.768963      9.890885
     11         O      3.702253      3.765599      9.869475
     12         O      1.894467      5.009059      8.178594
     13         O      5.361190      2.395904     11.777956
     14        Ta      5.486629      8.335689      9.085050
     15        Ta      2.306098      7.230658      8.520387
     16         O      7.068714      7.115987      8.953816
     17         O      6.157478      9.907919      9.538549
     18        Ta      4.316662      5.650618     10.712709
     19         O      2.425732      6.135764     10.383563
     20         O      4.706047      1.092626      9.300478
     21        Ta      1.252569      4.321707     10.262981
     22        Ta      2.694183      1.346951      9.364992
     23         O      3.052018      2.369704      7.559657
     24         O     -0.411128      4.909260     10.357217
     25         O      1.113397      2.567887      9.496955
     26         O      2.822626      1.336278     11.322210
     27         O      2.021345     -0.224544      8.911644
     28        Ta      6.927210      5.362157      8.188986
     29         O      0.676890      7.913593      8.556780
     30         O      4.480643      5.916088      8.582559
     31         O      5.754534      3.546589      8.066914
     32         O      3.474762      8.588475      9.149798
     33        Ta      3.502781      2.852121     12.365753
     34         O      4.231449      4.827577     12.377736
     35         O      1.738644      3.793115     12.020583
     36         O      3.424979      2.350272     14.059740
     37         O      6.284603      4.673672     10.272184
     38         O      2.821248      7.284587      6.672963
     39         H      1.245953      4.816275      7.466940
     40         H      6.928676      4.867183     10.987456
end

charge -4

