
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
    Si=2.48
    W=1.992
    Ta=2.025
    Nb=2.025
    V=1.908
  SubEnd
end

XC
  GGA BP86
end

atoms
      1         O      5.077605      7.170577     10.870282
      2         O      3.918710      4.809842      6.247079
      3         V      4.672598      6.708082      6.355782
      4         O      8.175240      4.712064      8.287389
      5         O      6.298723      5.816832      6.652513
      6         O      5.302712      8.201661      7.228338
      7         O      4.748660      7.100113      4.769962
      8         V      3.729378      4.130136      7.814015
      9         V      5.723368      2.762246      9.906080
     10         O      7.240115      2.148375      9.838352
     11         O      3.693905      3.781616      9.891211
     12         O      2.057921      4.998083      8.250629
     13         O      5.263081      2.562805     11.664347
     14         V      5.349089      8.087673      9.069989
     15         V      2.447786      6.952918      8.577847
     16         O      6.882570      7.006624      8.982422
     17         O      5.943378      9.534213      9.547640
     18         V      4.441508      5.584847     10.669945
     19         O      2.598619      6.100701     10.407244
     20         O      4.679549      1.373250      9.332729
     21         V      1.522253      4.415591     10.112597
     22         V      2.822052      1.627216      9.413937
     23         O      3.093331      2.544432      7.613590
     24         O     -0.004240      5.002831     10.196475
     25         O      1.288493      2.708256      9.501412
     26         O      2.868285      1.513275     11.255607
     27         O      2.227773      0.180678      8.936269
     28         V      6.648735      5.299306      8.371226
     29         O      0.930970      7.566653      8.645560
     30         O      4.477078      5.933316      8.592768
     31         O      5.572418      3.614285      8.076591
     32         O      3.491537      8.341836      9.151203
     33         V      3.498466      3.006910     12.128104
     34         O      4.252238      4.905381     12.236978
     35         O      1.872406      3.898090     11.831342
     36         O      3.422332      2.614865     13.713919
     37         O      6.113129      4.716915     10.233286
     38         O      2.908022      7.152124      6.819610
end

charge -6

