

ATOMS 
Mo        -3.834262   12.094437   -4.756728
O         -2.132093   10.895769   -7.775839
O         -2.537180    8.114708   -7.414518
O         -3.816562    9.524325   -9.502593
O         -9.048945    8.026255   -2.678058
O         -3.997494   12.019184    5.366393
O         10.864877    7.669970   -5.190691
O         -8.302754   11.163884   -2.293429
O         -7.888439    5.924912   -7.519506
O          5.601417   12.822210    0.651775
O         -7.405878    8.101221   -9.241191
O          9.890871    7.886712   -2.584983
Mo         0.461163   12.060124    5.635176
Mo         3.626249   11.851613    4.327058
Mo        -0.826202   12.170113   -6.951239
O         -2.107680   12.061578   -5.372363
O          8.699685    5.995471   -4.258476
Mo        -2.640745   11.722923    4.301800
O         -4.804242   14.782618   -1.602400
O          2.256642   11.163048    5.810353
O         -0.894139   13.325161    1.437120
O          4.068721   10.247934    3.812382
O         -4.581944   12.771423    0.651062
O         -3.518734   12.494974   -2.995574
O         -4.239311   10.575681   -6.079068
Mo         1.833588   12.148950   -6.949264
Mo         2.459575    9.882412    7.478831
Mo         0.503569   13.494080    2.609102
O          0.520795   13.570909    6.443910
O         -2.800212   10.104526    3.680218
Mo        -6.120732    9.841454   -5.732569
O         -1.384431   11.418144    5.880063
O          0.489270   15.134232    3.131721
O         -0.641603   12.478817    3.965172
O          2.624438   10.537998    9.110319
Mo        -8.372620    7.635965   -4.265692
Mo        -6.654448   10.607698   -2.434093
O          4.115603    9.546386    6.964199
Mo        -6.737396    7.218608   -7.864502
O         -3.109188   12.815701    2.859667
O          7.264657    9.267626   -1.334495
O         -3.090962   15.317934    1.317090
Mo        -3.435178    9.556855   -7.795516
O          5.537967   13.475276   -5.417111
O          4.497187   12.430830   -2.969046
O          6.395103    6.250347   -8.171320
O          8.214321    8.172209   -9.343860
O         -2.451750   11.651681    8.543512
O          6.751667   12.019084   -1.620644
O         -5.452422   10.957063   -4.129258
O          5.767431   14.779830   -1.654228
Mo        -1.389422   10.354563    7.987223
O          0.444410   10.862361    7.249329
O          9.295640   11.057900   -2.217642
O         -0.751990    9.628752    9.465531
O         -5.319299    8.929964   -7.294917
O          3.283462   13.299148   -0.795274
O          1.679422   12.565381    4.044076
O          1.912315   13.311398    1.450617
O          4.064318   15.359850    1.267496
O          9.143811    6.113094   -7.676089
O         -2.339297    9.077319    7.219826
O          1.685511    8.297658    7.541483
O         -4.566205   13.489400   -5.450187
O         -5.270603    6.368931   -8.367402
O         -7.106600    9.320370   -4.051847
O          8.185865    8.185915   -6.085174
O         -1.198804   13.672455   -7.702262
O          0.503695   12.432254   -5.534747
O          0.498579   11.176448   -8.005520
O         -2.283558   13.321868   -0.801880
O          2.230337   13.647766   -7.694616
Mo         7.130059    9.850480   -5.733575
Mo         4.409185    9.495123   -7.742961
Mo         4.820948   12.066784   -4.737824
Mo         7.816978    7.260207   -7.883647
Mo        -2.866958   13.635303    1.043450
Mo        -4.197102   13.220253   -1.220786
Mo         5.193181   13.217224   -1.226384
Mo         3.872927   13.667548    1.035851
Mo         9.369524    7.628456   -4.253811
Mo         7.628138   10.582427   -2.416929
O         -7.108092    8.131932   -6.041329
O         -7.650319    6.038036   -4.070503
O         -9.788565    7.525677   -5.314994
O          4.747608   12.410168    5.542113
O          4.122906   12.903885    2.873691
O         -7.147381   10.998542   -6.470861
O         -6.388782    9.285198   -1.329280
O          8.093130    9.300425   -4.046670
O          6.467083   10.961919   -4.124412
O          5.238499   10.560188   -6.056888
O          6.313808    8.921748   -7.274807
O          8.128007   11.033497   -6.469547
O          3.132661   10.861358   -7.777734
O          3.510401    8.095574   -7.230375
O          4.727794    9.328980   -9.454824
O          3.099728   12.009055   -5.363513
O         -5.736638   12.003133   -1.617623
END


CHARGE -12 0

RELATIVISTIC ZORA

RESTART frecIR &
 noORB noSCF
end

RAMANRANGE 100 1500

SOLVATION
  SOLV name=water
END

XC
 GGA BP86
END

BASIS
 TYPE TZP
 Core Large
end 

INTEGRATION 6

SCF
  iterations 300
END

endinput
