
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
    P=2.13
  SubEnd
end

XC
  GGA BP86
end

atoms
      1        Mo      0.050529     -2.609938      2.519709
      2         P     -0.071545     -0.047806     -0.042628
      3        Mo      0.112923      2.535993     -2.478033
      4        Mo     -0.026499      2.620620      2.461092
      5        Mo      2.445574     -2.610029     -0.023903
      6        Mo      2.686522      2.482752     -0.139021
      7        Mo     -2.606601      2.453245      0.064087
      8        Mo     -2.651003     -2.483240     -0.106531
      9        Mo     -2.442715     -0.270262     -2.721624
     10        Mo     -2.491728      0.159547      2.662328
     11        Mo      2.512002     -0.170546      2.588215
     12        Mo      2.436529     -0.063623     -2.672256
     13         O      0.825285     -0.979394      0.847591
     14         O     -1.028686     -0.897136     -0.918310
     15         O      0.875401      0.825209     -0.942071
     16         O     -0.892398      0.904635      0.901969
     17         O     -3.001923     -1.172289      1.189755
     18         O      3.008599     -1.159177     -1.160746
     19         O     -3.059057      1.169814     -1.119967
     20         O      3.010163      1.218992      1.218717
     21         O      1.301601     -1.217151     -3.306493
     22         O      1.106582      1.172450      2.991671
     23         O     -1.158945      1.156685     -2.995383
     24         O     -1.170517     -1.176400      3.065396
     25         O     -1.170585      3.036498     -1.113469
     26         O     -1.210344     -3.071245      1.233453
     27         O      1.182742      3.114078      1.159692
     28         O      1.214180     -3.258788     -1.103960
     29         O      3.358252     -1.436370      1.545343
     30         O     -3.448319     -1.549909     -1.562390
     31         O      3.452440      1.541837     -1.489328
     32         O     -3.424231      1.449594      1.566405
     33         O      1.436078     -1.473312      3.451046
     34         O      1.512263      1.531563     -3.377793
     35         O     -1.506508      1.509685      3.467209
     36         O     -1.721052     -1.478710     -3.750343
     37         O     -1.555542     -3.593056     -1.284260
     38         O     -1.539517      3.350462      1.554656
     39         O      1.533715     -3.387443      1.595045
     40         O      1.498404      3.389081     -1.445470
     41         O     -0.220335     -3.780824      3.772650
     42         O      3.803614     -0.177309     -3.756188
     43         O     -0.195114      3.753382     -3.675897
     44         O      0.232626      3.793110      3.721924
     45         O      3.782718     -3.723299     -0.163395
     46         O      3.844158      3.736585      0.193363
     47         O     -3.805382      3.696798     -0.168580
     48         O     -3.903646     -3.637327      0.226548
     49         O     -3.793109      0.292888     -3.681269
     50         O     -3.714724     -0.195680      3.843081
     51         O      3.686057      0.187124      3.818435
     52         H     -0.590494     -3.341590     -1.265761
end

charge -6

