
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
  HYBRID B3LYP
end

atoms
      1         W     -1.565317      3.180666     -0.416933
      2         W      1.126320      0.035102      2.669025
      3         W      0.922227     -3.324273     -0.635577
      4         W     -2.386497     -0.428445     -3.343364
      5         W      1.582324      2.642713     -0.001714
      6         W      1.245795     -1.388843     -3.188605
      7         W     -2.759683     -2.692836     -1.078019
      8         W     -1.975661      0.897143      2.543152
      9         W     -1.157678     -2.209159      2.287175
     10         W     -3.933337      0.269903     -0.600818
     11         W      0.248005      2.221158     -2.906478
     12         W      2.949581     -0.819811     -0.509017
     13         O     -0.099108      1.736730     -0.881023
     14         O     -0.605203     -0.328394      1.515704
     15         O      0.973058     -1.271355     -1.106530
     16         O     -2.172181     -0.676468     -1.256519
     17         O     -3.381079      0.369931      1.184983
     18         O      2.672067      1.031899     -0.556031
     19         O     -2.367329     -2.569390      0.906665
     20         O      1.170605      0.629537     -3.258485
     21         O      2.278014     -0.713607      1.395029
     22         O     -1.418644      1.175002     -3.378807
     23         O      0.234502     -3.042018      1.085488
     24         O     -2.995475      2.041420     -0.833775
     25         O     -1.012849     -3.348672     -1.228666
     26         O     -1.675602      2.377560      1.435362
     27         O     -0.584971     -1.328577     -3.567477
     28         O      1.372557      1.761322      1.634036
     29         O      1.686976      3.096259     -2.008990
     30         O     -2.291409     -1.004091      3.248270
     31         O      3.116714     -1.050750     -2.396990
     32         O     -4.409412     -1.582946     -0.567538
     33         O     -1.111310      3.604520     -2.223461
     34         O      2.723265     -2.841453     -0.217230
     35         O     -4.003781      0.316755     -2.661814
     36         O      0.489657     -1.619291      3.374900
     37         O     -0.379523      1.088125      3.580537
     38         O     -3.014199     -2.342431     -2.939439
     39         O      0.205773      3.941866      0.281198
     40         O      1.285221     -3.225577     -2.652401
     41         O     -2.405140      4.695847     -0.058940
     42         O      2.242067      0.407807      3.989832
     43         O      1.180962     -5.074300     -0.637970
     44         O     -2.916809     -0.569129     -5.024819
     45         O      2.938530      3.726976      0.338816
     46         O      1.943692     -1.644207     -4.794504
     47         O     -3.704607     -4.187489     -1.028110
     48         O     -3.074221      1.569513      3.755798
     49         O     -1.400195     -3.598944      3.354852
     50         O     -5.585676      0.895268     -0.507620
     51         O      0.412853      3.085999     -4.440538
     52         O      4.675836     -0.918161     -0.137224
end

charge -8

