ATOMS
Mo      -2.020696606000       3.782217393000      -4.768228710000  f=Region_1 b=Region_1 
O      -1.844722942000       4.247493265000      -3.098900311000  f=Region_1 b=Region_1 
O      -1.097713426000       5.034752668000      -5.725273216000  f=Region_1 b=Region_1 
O       1.025147086000       4.737464204000      -8.039130784000  f=Region_1 b=Region_1 
Mo       2.293554371000       5.197478666000      -9.310091758000  f=Region_1 b=Region_1 
O       3.585194026000       5.840600948000      -8.441473802000  f=Region_1 b=Region_1 
O      -3.654376118000       2.427173895000      -3.800324266000  f=Region_1 b=Region_1 
Mo      -4.278570447000       1.985128246000      -2.225991525000  f=Region_1 b=Region_1 
O      -4.820981076000       3.942794460000      -1.822397546000  f=Region_1 b=Region_1 
Mo      -4.773914119000       5.753475660000      -2.828945240000  f=Region_1 b=Region_1 
O      -3.537691819000       6.724497437000      -2.182289394000  f=Region_1 b=Region_1 
O      -4.109905450000       5.049639462000      -4.276326713000  f=Region_1 b=Region_1 
Mo       0.243678904100       3.674405141000      -6.661472051000  f=Region_1 b=Region_1 
O      -2.914443630000       1.609669115000      -1.287024206000  f=Region_1 b=Region_1 
O      -5.663808122000       2.131905149000      -0.526949794900  f=Region_1 b=Region_1 
Mo      -6.822875703000       0.916294576800       0.658703001300  f=Region_1 b=Region_1 
O      -6.265737588000       0.542403072600       2.210191262000  f=Region_1 b=Region_1 
O      -5.133457963000       0.290505034800      -2.567145799000  f=Region_1 b=Region_1 
Mo      -5.861357511000       4.064956711000      -0.035348767860  f=Region_1 b=Region_1 
O      -7.248273731000       5.227758577000       0.906344229500  f=Region_1 b=Region_1 
Mo      -7.303185086000       7.076168224000      -0.028347823210  f=Region_1 b=Region_1 
O      -7.153380433000       8.125289119000      -1.518901325000  f=Region_1 b=Region_1 
O      -4.577154716000       4.284201268000       1.033855576000  f=Region_1 b=Region_1 
O       1.221692078000       2.195433784000      -7.595408994000  f=Region_1 b=Region_1 
O      -7.170452746000       2.938371740000       1.048739728000  f=Region_1 b=Region_1 
Mo      -8.158898196000       4.124298098000       2.398509938000  f=Region_1 b=Region_1 
O      -7.116816335000       4.143079983000       3.726556410000  f=Region_1 b=Region_1 
O      -6.013796029000       5.818880916000      -0.980037415100  f=Region_1 b=Region_1 
O      -8.657765917000       0.563429339900       0.732697941300  f=Region_1 b=Region_1 
O      -6.154411153000      -0.452702508500      -0.367627019800  f=Region_1 b=Region_1 
O      -9.293570977000       2.697910888000       2.798164535000  f=Region_1 b=Region_1 
O      -9.218203269000       5.629737812000       2.618435776000  f=Region_1 b=Region_1 
O      -6.091560234000       6.998564027000      -3.506251596000  f=Region_1 b=Region_1 
O      -9.154671175000       7.157443942000       0.415961538300  f=Region_1 b=Region_1 
Mo       2.549465434000       1.474583944000      -8.591036193000  f=Region_1 b=Region_1 
O      -6.557126776000       7.976204411000       1.190619295000  f=Region_1 b=Region_1 
O       3.038332660000       4.909968699000     -11.251873030000  f=Region_1 b=Region_1 
Mo       3.858561671000       3.034860458000     -11.333541600000  f=Region_1 b=Region_1 
O       3.783506478000       3.780208286000     -13.201782510000  f=Region_1 b=Region_1 
Mo       4.128689524000       2.325808418000     -14.589366590000  f=Region_1 b=Region_1 
O       5.766926071000       2.088074417000     -14.939907270000  f=Region_1 b=Region_1 
O       2.850356598000       3.260228695000      -9.577798088000  f=Region_1 b=Region_1 
O       1.171191593000       6.804071651000     -10.013863620000  f=Region_1 b=Region_1 
Mo       3.038105680000       5.860479030000     -13.061128290000  f=Region_1 b=Region_1 
O       2.367560046000       5.537406279000     -14.861543580000  f=Region_1 b=Region_1 
O       3.588229909000       1.230185298000     -10.449043140000  f=Region_1 b=Region_1 
O       1.940524128000       7.071882460000     -12.468377080000  f=Region_1 b=Region_1 
O       4.539347433000       6.636981358000     -13.280958080000  f=Region_1 b=Region_1 
O       1.879508928000      -0.324489903200      -8.899864177000  f=Region_1 b=Region_1 
O       3.863468594000       1.320459478000      -7.535508126000  f=Region_1 b=Region_1 
O       5.452072093000       3.364633570000     -10.888134720000  f=Region_1 b=Region_1 
O       4.118005888000       1.539237286000     -12.679551910000  f=Region_1 b=Region_1 
O       4.228352007000      -1.050644865000     -13.341168640000  f=Region_1 b=Region_1 
O       3.452255882000      -1.444847369000     -10.540814230000  f=Region_1 b=Region_1 
O       3.290956038000       0.722159271600     -15.180603840000  f=Region_1 b=Region_1 
O       3.584238438000       3.571350541000     -15.811771020000  f=Region_1 b=Region_1 
Mo       4.304458707000      -0.258862244700     -11.656030050000  f=Region_1 b=Region_1 
O       5.948020146000      -0.367754132200     -11.240405570000  f=Region_1 b=Region_1 
O       1.375341205000       3.918876242000      -5.398980817000  f=Region_1 b=Region_1 
O      -0.854648544000       2.464069503000      -5.060497205000  f=Region_1 b=Region_1 
O      -3.315895421000       3.357805458000      -6.326340957000  f=Region_2 b=Region_2 
C      -2.802187645000       3.111624921000      -7.541710953000  f=Region_2 b=Region_2 
O      -1.469610735000       3.156472645000      -7.673133567000  f=Region_2 b=Region_2 
O      -3.532752771000       2.857783860000      -8.505860070000  f=Region_2 b=Region_2 
END



CHARGE -12

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
