

ATOMS 
Mo         -1.870420    2.868131   -4.496272
O          -1.079497    1.879981   -3.317900
O          -0.471104    4.056723   -5.147316
O           1.066112    3.946488   -7.607029
Mo          2.555952    4.062947   -8.590428
O           3.805142    3.465395   -7.570152
O          -3.807955    2.148429   -4.014827
Mo         -4.879668    1.618787   -2.675278
O          -4.539977    3.368187   -1.675663
Mo         -3.550848    5.219411   -2.022141
O          -2.442958    6.134650   -1.028679
O          -2.435919    4.357412   -3.183649
Mo         -0.241085    2.664307   -6.541855
O          -3.984162    0.423142   -1.820832
O          -6.419615    2.039097   -1.321375
Mo         -8.309428    1.203712   -0.695606
O          -7.766370   -0.165512    0.235395
O          -6.236690    0.751970   -3.636209
Mo         -5.838801    3.475158   -0.067954
O          -6.659121    4.866542    1.185233
Mo         -5.425111    6.628940    1.089518
O          -5.468787    7.958303   -0.026137
O          -4.907763    2.628073    1.080088
O          -0.279157    1.753005   -8.390643
O          -7.740196    2.967478    0.348682
Mo         -8.473773    4.237563    1.903459
O          -8.073258    3.419073    3.375278
O          -4.954895    5.240431   -0.352284
O          -9.981135    1.544679   -0.174736
O          -8.468668    0.674905   -2.397150
O         -10.156172    3.590644    1.355103
O          -8.897103    5.888866    2.332700
O          -4.441953    6.344107   -3.002004
O          -6.600966    7.211087    2.479481
Mo          0.360676    1.153050   -9.989889
O          -3.901800    6.695824    1.904328
O           3.615655    4.091253  -10.428228
Mo          3.382944    2.273029  -11.310968
O           4.419843    3.499624  -12.514497
Mo          4.945469    2.440832  -14.330657
O           6.504871    1.788322  -13.889659
O           2.003550    2.518569   -9.786086
O           2.702854    5.938317   -8.710130
Mo          4.956215    5.246564  -11.490035
O           5.344907    5.895115  -13.211742
O           1.854341    1.009493  -11.564167
O           4.270461    6.668684  -10.699029
O           6.471539    4.919860  -10.719936
O          -0.925385    1.503204  -11.107937
O           0.432221   -0.575742   -9.761369
O           4.583042    1.367517  -10.515300
O           3.491134    1.475086  -13.154031
O           2.401226   -0.094799  -15.069147
O           0.469014   -0.724088  -13.186304
O           4.363487    1.476714  -15.716310
O           5.219290    4.077155  -15.010843
Mo          2.126171   -0.203643  -13.195116
H           3.196515    0.477682  -15.363283
O           1.038670    1.709351   -5.885042
H          -4.387058    4.581781   -8.520098
O          -1.867201    1.690470   -6.086957
O          -3.183445    4.139038   -5.896192
H           5.327066    5.196756  -13.982745
H         -10.152550    2.746886    0.759931
O          -1.723510    4.043479   -7.634621
H          -7.171588    0.683266   -3.178189
C          -3.756210    5.263160   -7.929956
O           3.072176   -1.532465  -12.601573
H          -4.408220    5.875026   -7.298013
H          -7.535105    6.844026    2.452769
C          -2.817170    4.428499   -7.088706
H           3.295908    6.307714   -9.447915
H          -3.192728    5.891184   -8.629058
END


CHARGE -5 0

RELATIVISTIC ZORA

SYMMETRY NOSYM

GEOMETRY
Frequencies
END

SOLVATION
  SOLV name=water
END

XC
 GGA BP86
END

BASIS
 TYPE TZP
 Core small
end 

INTEGRATION 6

SCF
  iterations 300
END

endinput
