

ATOMS 
Mo       -1.869920    2.865643   -4.495135
O        -1.082106    1.872055   -3.318820
O        -0.470512    4.052890   -5.148351
O         1.067901    3.944727   -7.603884
Mo        2.555455    4.062961   -8.588726
O         3.809653    3.471924   -7.572411
O        -3.811541    2.149040   -4.017942
Mo       -4.887330    1.625616   -2.681167
O        -4.542256    3.370303   -1.672846
Mo       -3.544952    5.217139   -2.018632
O        -2.435434    6.126190   -1.018212
O        -2.431345    4.352097   -3.184236
Mo       -0.238333    2.658358   -6.536606
O        -3.999275    0.420096   -1.831672
O        -6.422303    2.044938   -1.327573
Mo       -8.312289    1.210136   -0.701455
O        -7.754683   -0.180155    0.188901
O        -6.251404    0.771319   -3.645807
Mo       -5.839999    3.474794   -0.065543
O        -6.662258    4.868345    1.183229
Mo       -5.421155    6.626159    1.097410
O        -5.452557    7.957382   -0.016536
O        -4.913120    2.624500    1.079382
O        -0.274692    1.746452   -8.385347
O        -7.741161    2.965769    0.344974
Mo       -8.476971    4.239574    1.900227
O        -8.070782    3.425793    3.373123
O        -4.951066    5.237488   -0.349247
O        -9.983287    1.531681   -0.151572
O        -8.491650    0.724362   -2.418157
O       -10.161301    3.589721    1.355805
O        -8.900785    5.890756    2.329119
O        -4.432852    6.354353   -2.988402
O        -6.599952    7.209098    2.487759
Mo        0.367940    1.144806   -9.982786
O        -3.901803    6.679954    1.918628
O         3.614142    4.096079  -10.429166
Mo        3.387850    2.282616  -11.315501
O         4.403482    3.504426  -12.522150
Mo        4.936805    2.444853  -14.336636
O         6.498634    1.795722  -13.886960
O         2.004010    2.515932   -9.787909
O         2.697095    5.942357   -8.710798
Mo        4.946372    5.250748  -11.497897
O         5.326733    5.901872  -13.216630
O         1.861731    0.999008  -11.557767
O         4.265773    6.673429  -10.703284
O         6.466781    4.923881  -10.736207
O        -0.919368    1.485925  -11.102013
O         0.443772   -0.584131   -9.753782
O         4.590448    1.377065  -10.517161
O         3.486318    1.472232  -13.155258
O         2.399557   -0.097462  -15.063452
O         0.479753   -0.742640  -13.169272
O         4.358212    1.474400  -15.716822
O         5.209821    4.078483  -15.015737
Mo        2.135454   -0.211918  -13.186087
H         3.188215    0.475919  -15.361570
O         1.041533    1.703123   -5.883583
H        -4.374792    4.579666   -8.523869
O        -1.867153    1.684944   -6.091405
O        -3.178968    4.142363   -5.896075
H         5.318879    5.197163  -13.992005
H       -10.157316    2.743786    0.771535
O        -1.718852    4.040309   -7.635785
H        -7.185008    0.716163   -3.192029
C        -3.745451    5.261887   -7.933247
O         3.095678   -1.532376  -12.602640
H        -4.401572    5.873629   -7.301668
H        -7.537753    6.846018    2.457205
C        -2.810097    4.427837   -7.090027
H         3.286396    6.313536   -9.446469
H        -3.181366    5.891362   -8.628558
END


CHARGE -5 0

RELATIVISTIC ZORA

SYMMETRY NOSYM

GEOMETRY
   iterations 300
   Branch old
END

SOLVATION
  SOLV name=water
END

XC
 GGA BP86
END

BASIS
 TYPE TZP
 Core small
end 

INTEGRATION 5

SCF
  iterations 300
END

endinput

