
ATOMS 
U        -2.677680   -2.975364    5.865621
U        -2.603645   -6.539315    0.000000
U        -0.564923   -5.882626    3.724092
U        -3.476850    5.087109   -3.408546
U        -6.047429   -1.825798    3.470411
U         0.174430   -0.067752   -7.204390
U        -6.373637    2.219545    2.102089
U        -0.564923   -5.882626   -3.724092
U        -6.070083   -4.190290    0.000000
U        -6.047429   -1.825798   -3.470411
U        -2.677680   -2.975364   -5.865621
U         4.005548   -1.333052   -6.052785
U        -6.373637    2.219545   -2.102089
U        -1.948587    6.952598    0.000000
U        -0.139170    3.982929   -5.845438
U         3.586816   -4.775967   -3.714770
U        -3.476850    5.087109    3.408546
Cs       -2.275078    0.776840    3.415522
Na        0.022218    3.692494   -1.719657
Na        0.629745   -2.018496   -3.608582
Na       -2.542639   -2.898025    1.751260
Na       -2.931991    2.918990    0.000000
Na       -2.542639   -2.898025   -1.751260
Na       -4.346658   -0.473940    0.000000
Na        1.876324    1.269527   -3.750555
O         2.680637   -3.373200   -2.868259
O        -2.521792    3.815992    2.410877
O         4.466903   -6.189350   -4.513870
O        -0.837637    2.096900   -7.118372
O        -4.755323   -1.880953    5.480762
O        -2.262291   -6.691215    2.315151
O        -7.999642    2.827213   -2.730938
O        -2.438828    8.733726    0.000000
O        -3.401791   -3.701283   -7.402688
O        -4.428302    6.311143    4.411928
O        -3.401791   -3.701283    7.402688
O         2.066735   -1.473417   -7.410261
O        -4.806961   -3.236856    4.891957
O        -7.550520   -2.170502    4.488624
O        -7.568923   -5.270747    0.000000
O        -0.628627   -7.505835    4.601685
O        -0.939127   -2.144884   -7.220896
O         2.178071    4.484114   -5.753262
O        -0.970905   -7.025763    1.673578
O        -5.289782    3.570962   -3.724706
O        -2.444815    4.376023   -5.436838
O        -0.484478   -4.251387    2.815724
O        -4.718044    1.621641    1.468365
O        -7.139059    0.041759   -2.553209
O         0.265591   -0.116643   -5.348351
O        -4.517454   -1.463737    2.475816
O        -5.289782    3.570962    3.724706
O        -3.057089   -8.328854    0.000000
O         1.586429   -5.594644   -4.623250
O         1.445710    5.531958   -5.015566
O        -6.431902    0.516276    3.762533
O         5.007944   -1.708237   -7.559574
O        -5.521329    4.373169    2.504061
O        -1.190910   -4.813664   -5.738799
O         3.624251   -3.656597   -5.790147
O        -0.018305    2.954273   -4.288397
O        -6.880244    3.176410    0.000000
O        -0.484478   -4.251387   -2.815724
O        -0.628627   -7.505835   -4.601685
O        -2.420706   -5.164984   -5.002398
O         0.631671    2.235955   -7.217529
O        -7.127775   -2.808831    1.610370
O         0.042847   -0.021970   -9.047801
O        -4.755323   -1.880953   -5.480762
O        -6.388950   -3.868069   -2.325572
O         1.751916   -6.249558   -3.306174
O        -7.127775   -2.808831   -1.610370
O        -0.970905   -7.025763   -1.673578
O        -2.521792    3.815992   -2.410877
O        -1.981002   -1.097536   -7.151058
O         2.995414   -0.952482   -4.535719
O        -1.448897    5.153336    0.000000
O        -6.431902    0.516276   -3.762533
O        -5.521329    4.373169   -2.504061
O        -4.806961   -3.236856   -4.891957
O        -4.517454   -1.463737   -2.475816
O        -6.388950   -3.868069    2.325572
O        -4.789916   -6.042901    0.738210
O        -4.560018   -3.097745    0.000000
O        -3.667560    6.548517   -1.570437
O        -2.100685   -4.736646    0.000000
O        -4.428302    6.311143   -4.411928
O        -4.789916   -6.042901   -0.738210
O        -7.379384    1.786874    0.000000
O        -2.420706   -5.164984    5.002398
O        -1.954636   -2.231842   -4.308298
O        -3.667560    6.548517    1.570437
O        -4.718044    1.621641   -1.468365
O        -2.438397    6.893237   -2.311866
O        -1.654172    5.471793   -4.835179
O         2.530845   -0.071624   -7.416938
O        -7.550520   -2.170502   -4.488624
O        -7.999642    2.827213    2.730938
O        -0.276876    5.007661   -7.376276
O        -7.139059    0.041759    2.553209
O        -1.954636   -2.231842    4.308298
O        -2.262291   -6.691215   -2.315151
O         4.855676   -3.306691   -5.054558
O        -1.190910   -4.813664    5.738799
O        -2.438397    6.893237    2.311866
Cs        1.282451   -4.571606    0.000000
Cs       -2.275078    0.776840   -3.415522
U         3.586816   -4.775967    3.714770
U         2.220813    6.672938    0.000000
U         0.174430   -0.067752    7.204390
U         5.967603    1.572296   -3.744927
U        -0.139170    3.982929    5.845438
U         5.637516   -4.116947    0.000000
U         4.005548   -1.333052    6.052785
U         5.967603    1.572296    3.744927
U         7.097894   -0.194401    0.000000
U         3.367623    4.966099    3.758199
U         3.367623    4.966099   -3.758199
Na        3.569701   -1.164097   -1.898309
Na        0.629745   -2.018496    3.608582
Na        0.022218    3.692494    1.719657
Na        3.569701   -1.164097    1.898309
Na        1.876324    1.269527    3.750555
O         5.444817    3.875196   -3.375037
O        -1.981002   -1.097536    7.151058
O         1.586429   -5.594644    4.623250
O         4.289410    6.295839    4.649461
O         8.944786   -0.189004    0.000000
O         5.949144   -0.376051   -5.089638
O        -0.939127   -2.144884    7.220896
O         0.042847   -0.021970    9.047801
O         5.007944   -1.708237    7.559574
O         7.222683    0.183514   -2.318890
O         1.751916   -6.249558    3.306174
O         3.782043    6.096764    1.708018
O         3.782043    6.096764   -1.708018
O        -0.018305    2.954273    4.288397
O         4.901881    3.443628    4.681689
O         4.403804    1.060351   -2.879863
O         0.265591   -0.116643    5.348351
O        -2.444815    4.376023    5.436838
O         4.466903   -6.189350    4.513870
O         5.443784   -4.501382   -2.309995
O        -0.837637    2.096900    7.118372
O        -1.654172    5.471793    4.835179
O         7.139379   -2.444560   -0.738064
O         2.432131    3.633426   -2.839200
O         1.445710    5.531958    5.015566
O         4.206328   -2.917555    0.000000
O         7.032402   -5.327581    0.000000
O         7.139379   -2.444560    0.738064
O         4.901881    3.443628   -4.681689
O         2.530845   -0.071624    7.416938
O         7.536137    2.098690   -4.569198
O         7.144702    1.507973    1.663519
O         5.949144   -0.376051    5.089638
O         4.540376   -5.459553   -1.633800
O         5.223559    0.688898    5.809486
O         4.540376   -5.459553    1.633800
O         1.504939    4.934264    0.000000
O         7.144702    1.507973   -1.663519
O         5.444817    3.875196    3.375037
O         2.544967    6.631330    2.319379
O         7.222683    0.183514    2.318890
O         4.403804    1.060351    2.879863
O         2.066735   -1.473417    7.410261
O         3.624251   -3.656597    5.790147
O         2.995414   -0.952482    4.535719
O         0.196872    7.623641    0.738376
O         2.680637   -3.373200    2.868259
O         2.957290    8.365281    0.000000
O         4.855676   -3.306691    5.054558
O         2.178071    4.484114    5.753262
O         5.227029   -0.193417    0.000000
O         2.432131    3.633426    2.839200
O         0.196872    7.623641   -0.738376
O         2.544967    6.631330   -2.319379
O         5.223559    0.688898   -5.809486
O         7.536137    2.098690    4.569198
O        -0.276876    5.007661    7.376276
O         4.289410    6.295839   -4.649461
O         0.631671    2.235955    7.217529
O         5.443784   -4.501382    2.309995
Cs        3.529877    2.446688    0.000000
U         0.016058   -0.026373    0.000000
O        -0.541468    1.857073    0.000000
O         0.541079   -1.832072    0.000000
O         0.468456    0.025265    2.263117
O         1.707364    0.385425    1.509016
O         1.707364    0.385425   -1.509016
O         0.468456    0.025265   -2.263117
O        -2.061512   -0.713405   -0.746772
O        -2.061512   -0.713405    0.746772
end

integration 5 5

SOLVATION
 Solv name=water
 Radii
  O=1.72
  U=2.10
  Cs=2.867 
  Na=2.250
 Subend
END

CHARGE -16 0

relativistic scalar ZORA

scf
iterations 1500
end

BASIS
 TYPE DZP
 Core small
end 

xc
 GGA BP86
end

geometry
  branch old
  Iterations 150
End


endinput
