ATOMS
O     -11.248449690000      -1.372554866000      -4.153710867000  f=Region_1 b=Region_1 
O     -12.301558250000       1.353048494000      -4.355460887000  f=Region_1 b=Region_1 
O      -6.895543129000       5.311243509000      -6.409055929000  f=Region_1 b=Region_1 
O     -11.434442810000       3.358639831000      -5.923928175000  f=Region_1 b=Region_1 
Mo       3.811787380000       4.146722599000      -5.633730884000  f=Region_1 b=Region_1 
O     -10.749375890000       4.691603933000      -3.530882847000  f=Region_1 b=Region_1 
O       4.277601745000       8.050628936000      -7.608716388000  f=Region_1 b=Region_1 
Mo       5.637450025000       6.663819355000      -7.027163462000  f=Region_1 b=Region_1 
O       6.414532655000       7.768824286000      -8.538315879000  f=Region_1 b=Region_1 
Mo       8.213898085000       6.958928029000      -9.192223939000  f=Region_1 b=Region_1 
Mo      -7.818665124000       1.754095326000      -3.672340143000  f=Region_1 b=Region_1 
O       9.560383423000       7.398330425000      -8.275944189000  f=Region_1 b=Region_1 
O       3.773677510000       6.060891849000      -6.430344795000  f=Region_1 b=Region_1 
O       1.603311442000       8.581578793000      -8.245400410000  f=Region_1 b=Region_1 
Mo       5.091144745000       9.332945670000      -8.970577794000  f=Region_1 b=Region_1 
O       5.668271697000       9.227016757000     -10.782753500000  f=Region_1 b=Region_1 
O       5.735913584000       4.759185911000      -6.376514104000  f=Region_1 b=Region_1 
O       3.424044684000      10.059359720000      -9.095842493000  f=Region_1 b=Region_1 
O       6.033106888000      10.566764650000      -8.306167374000  f=Region_1 b=Region_1 
O       4.392460439000       2.348584034000      -6.009476784000  f=Region_1 b=Region_1 
O       4.082112320000       4.374264589000      -3.977940158000  f=Region_1 b=Region_1 
O      -9.777411010000       2.089533422000      -4.105865859000  f=Region_1 b=Region_1 
O       6.274560084000       7.444127819000      -5.677549607000  f=Region_1 b=Region_1 
O       7.277606217000       5.746177595000      -7.814574903000  f=Region_1 b=Region_1 
O       8.740822275000       3.384458381000      -8.083312542000  f=Region_1 b=Region_1 
O       6.956632605000       2.449800817000      -5.982593119000  f=Region_1 b=Region_1 
O       8.813286183000       5.501869459000     -10.187983480000  f=Region_1 b=Region_1 
O       8.119141861000       8.304342864000     -10.460663760000  f=Region_1 b=Region_1 
Mo       7.617051234000       4.000862972000      -6.725768197000  f=Region_1 b=Region_1 
Mo      -9.988454859000       4.001298652000      -4.870063906000  f=Region_1 b=Region_1 
O       8.704539718000       4.587425234000      -5.573435828000  f=Region_1 b=Region_1 
O      -9.358273102000       5.436969129000      -5.814602155000  f=Region_1 b=Region_1 
O       0.543645032900       5.487985198000      -3.969030335000  f=Region_1 b=Region_1 
O      -0.566641000000       3.017692008000      -4.957574686000  f=Region_1 b=Region_1 
Mo      -2.312398609000       3.858125860000      -5.002497648000  f=Region_1 b=Region_1 
O      -2.607903479000       4.271147053000      -3.362304566000  f=Region_1 b=Region_1 
O      -1.688321824000       5.514714524000      -5.791204695000  f=Region_1 b=Region_1 
O       1.033539457000       6.316886325000      -6.594092179000  f=Region_1 b=Region_1 
O      -7.843702436000       2.126827309000      -2.030153449000  f=Region_1 b=Region_1 
Mo       2.345053274000       7.492459706000      -6.816722723000  f=Region_1 b=Region_1 
O       2.326379165000       8.457347799000      -5.425593858000  f=Region_1 b=Region_1 
O      -3.301347676000       1.967727644000      -4.773632523000  f=Region_1 b=Region_1 
Mo      -4.524906357000       0.972163643000      -3.968443663000  f=Region_1 b=Region_1 
O      -5.948813344000       2.450234024000      -4.195111781000  f=Region_1 b=Region_1 
O      -2.314272542000       3.157621143000      -7.133426938000  f=Region_2 b=Region_2 
C      -1.299130427000       3.371804536000      -7.878578812000  f=Region_2 b=Region_2 
O      -0.208720397100       3.956020875000      -7.560766468000  f=Region_2 b=Region_2 
O      -1.430573138000       2.912736457000      -9.143599022000  f=Region_2 b=Region_2 
H      -0.599944471900       3.126807552000      -9.619379193000  f=Region_2 b=Region_2 
O       2.049409162000       4.005426460000      -5.808238054000  f=Region_1 b=Region_1 
O      -5.999931762000       5.431645352000      -3.656195886000  f=Region_1 b=Region_1 
O      -4.358190599000       4.267821092000      -5.525986697000  f=Region_1 b=Region_1 
Mo       0.104446154400       4.785694324000      -5.468165839000  f=Region_1 b=Region_1 
O      -4.090710021000       0.977414291700      -2.330484050000  f=Region_1 b=Region_1 
Mo      -6.036566926000       4.360182414000      -4.967532725000  f=Region_1 b=Region_1 
O      -6.538216848000       0.206460631700      -3.692214001000  f=Region_1 b=Region_1 
Mo      -7.533833004000      -1.591306245000      -3.513311600000  f=Region_1 b=Region_1 
O      -8.055529279000      -2.024206118000      -1.965356120000  f=Region_1 b=Region_1 
O      -8.858842431000       0.004047646100      -3.759498592000  f=Region_1 b=Region_1 
Mo     -10.876197250000       0.386260249900      -3.666085182000  f=Region_1 b=Region_1 
O     -11.159170350000       0.369261730800      -2.003114077000  f=Region_1 b=Region_1 
O      -8.015574038000       3.555333954000      -4.545953431000  f=Region_1 b=Region_1 
O      -8.558277599000      -2.661571983000      -4.649611536000  f=Region_1 b=Region_1 
O      -5.856831910000      -2.338968072000      -3.613369116000  f=Region_1 b=Region_1 
O      -4.096224632000      -0.788829564900      -4.615574521000  f=Region_1 b=Region_1 
END


CHARGE -11

Fragments
    Region_1 linker.t21 
    Region_2 ligando.t21 
end

BASIS
type TZP
core Small
createoutput None
END

RELATIVISTIC ZORA

SYMMETRY NOSYM

GEOMETRY SP
   Branch old
END

SOLVATION
  SOLV name=water
END

XC
 GGA BP86
END

INTEGRATION 5

SCF
  iterations 150
END

endinput
