

ATOMS 
Mo         -1.948648    3.348994   -4.262000
O          -0.936282    3.719246   -2.953499
Mo         -0.166646    3.188740   -6.192550
O           0.475149    1.682078   -7.445381
Mo          1.671861    0.953793   -8.563168
O           2.658086    0.735155  -10.456777
Mo          3.411199   -0.743460  -11.686471
O           5.085150   -0.873284  -11.509808
O           1.249199    3.523147   -5.324497
O          -1.179227    1.837961   -5.211363
O          -1.505330    4.537183   -5.732475
O           0.183559    4.219327   -7.944139
Mo          1.217422    4.689614   -9.326780
O           2.461861    5.603791   -8.639566
O          -3.274445    2.022166   -3.382353
Mo         -4.278738    1.513874   -1.990941
O          -4.849286    3.461416   -1.655583
Mo         -4.666415    5.275989   -2.604290
O          -3.657137    6.260080   -1.670368
O          -3.576497    4.562613   -3.830217
O          -3.153418    1.076269   -0.806359
O          -5.927350    1.632567   -0.592861
Mo         -7.206509    0.383237    0.441472
O          -6.757159    0.077887    2.039073
O          -5.062330   -0.124044   -2.583822
Mo         -6.280721    3.549934   -0.154092
O          -7.858961    4.680417    0.445107
Mo         -7.783596    6.518025   -0.493532
O          -7.330783    7.579513   -1.918843
O          -5.251007    3.825280    1.149383
O          -7.722101    2.384815    0.696417
Mo         -9.046086    3.568912    1.740640
O          -8.338714    3.594160    3.271593
O          -6.276698    5.287552   -1.157646
O          -9.000473   -0.124873    0.388442
O          -6.355577   -0.965208   -0.489171
O         -10.251530    2.157350    1.875028
O         -10.133009    5.069757    1.726045
O          -5.766365    6.461382   -3.632015
O          -9.682026    6.561741   -0.460874
O          -7.345949    7.440471    0.848460
O           2.212331    4.389178  -11.223171
Mo          3.005577    2.537010  -11.262213
O           3.113831    3.352668  -13.120846
Mo          3.702648    1.921772  -14.513225
O           5.361371    1.626366  -14.568092
O           1.919136    2.769416   -9.521543
O           0.107717    5.948370  -10.267810
Mo          2.482804    5.332755  -13.015632
O           1.854744    5.176482  -14.803576
O           1.453471    6.671229  -12.306911
O           4.006776    6.036477  -13.178817
O           0.948758   -0.785364   -8.893124
O           3.044781    0.695884   -7.611643
O           4.571096    2.828151  -10.717093
O           3.304054    1.087468  -12.664572
O           3.091635   -1.632712  -13.293997
O           2.744935   -1.901560  -10.412120
O           2.960056    0.468147  -15.408202
O           3.492454    3.305717  -15.725703
H           2.158561   -1.706725  -13.601412
H           1.923462   -1.658284   -9.862988
H           0.022435   -0.810896   -9.226601
H           1.987687    0.488049  -15.572211
H           2.778308    4.008264  -15.607851
H           0.901887    4.942740  -14.901074
H          -9.444859   -0.105721   -0.490880
H          -5.956506   -0.808127   -1.411378
H          -5.573547   -0.074987   -3.424045
H         -10.822871    1.939438    1.102232
H         -10.234925    5.638551    0.902464
H         -10.124274    6.196524   -1.263102
H           0.755742    6.483837  -11.567982
H          -0.808746    5.643395  -10.457178
H          -6.214715    6.054432   -4.408810
H          -6.843560    7.220108   -2.746254
END


CHARGE 6 0

RELATIVISTIC ZORA

RESTART frecIR

RAMANRANGE 100 1500

SOLVATION
  SOLV name=water
END

XC
 GGA BP86
END

BASIS
 TYPE TZP
 Core small
end 

INTEGRATION 6

SCF
  iterations 300
END

endinput
