
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        Mo      1.976308      1.064665     -2.359130
      2        Mo     -0.118894     -0.544550     -0.012016
      3         H     -0.574130      5.286391     -2.215509
      4         O     -0.852132      4.228754      1.114811
      5         O     -1.149889     -1.911625      0.341520
      6        Mo      1.036518      1.723920      5.802641
      7         O      3.251958      2.273347     -2.411667
      8         O      2.873018      1.382527      6.443640
      9         O      2.921260      2.136320     -6.015229
     10         O     -0.097015      2.585292      4.462948
     11         O      3.459025      2.381613      1.391027
     12         O      1.524933      1.265688     -0.225073
     13         O     -0.868970      6.061396     -0.836059
     14         O      0.063162     -0.475690     -1.818198
     15        Mo      0.978146      2.403397     -5.867767
     16        Mo      0.252940      2.886553     -0.166769
     17         O      0.771858     -0.180753      1.864170
     18         O      0.887522      4.954426      3.352775
     19         O      1.509974      0.908296     -4.089736
     20         O      0.420737      0.095283      5.682616
     21         O     -2.154797      2.145525      2.525550
     22        Mo     -1.481521      3.047769     -3.076194
     23         O      2.354650      1.269854      3.769652
     24        Mo     -2.518238      5.147370      0.178717
     25         O     -2.886438      6.519410      1.181202
     26         O      0.708310      2.493605      1.740824
     27         H      1.849967      4.324397      4.648486
     28         O      0.347648      1.033793     -6.751537
     29         H     -2.773805      2.707385      1.972177
     30         H     -1.742046      1.565382      1.825665
     31         O      2.886969     -0.525506     -1.934448
     32         O      3.399598     -0.353113      1.535823
     33         O      0.372131      2.331025      7.293009
     34        Mo      2.158054      1.040524      2.030571
     35         H     -0.036498      5.852005     -0.365756
     36         H      3.123408      3.654515      5.283571
     37         O      0.861045      3.725411     -6.996569
     38         H      2.382882      3.597323     -3.594022
     39         O     -1.846648      4.712958      3.689021
     40         O     -1.126084      0.945370      0.290281
     41         O      1.398098      4.156539     -0.438951
     42         O      0.400102      2.254094     -2.074239
     43         H     -1.229946      0.602308     -2.458946
     44         O     -0.641086      2.729757     -4.750244
     45         H      3.422610      2.487369      0.416715
     46        Mo     -0.463148      3.853223      3.065111
     47         H      3.168567      1.407220     -5.407279
     48         O      1.799152     -1.688783     -0.041951
     49         O     -3.097045      3.632697     -3.421300
     50         O     -1.966428      1.178115     -2.812004
     51         O     -0.464472      4.767396     -3.100290
     52         O     -1.477853      3.379261     -1.101104
     53         O     -3.525298      5.553667     -1.418632
     54         O     -3.492706      3.839198      0.892614
     55         H      3.385048      0.951121      5.727486
     56         H      2.876186     -1.049511      1.010406
     57         H      2.433596     -1.134727     -1.161403
     58         H      1.636149     -2.646094     -0.150296
     59         O      2.185523      3.859566      5.466632
     60         O      1.804408      4.049509     -4.253522
     61         H      1.005022      4.378818     -3.719096
     62         H     -3.473310      4.860073     -2.129334
end

charge -4

