%mem=120GB
%nproc=20
%chk=largeCo4_10_OH_10d_10step3.chk
#p guess=read scfcyc=1000 nosym optcyc=300 opt=(maxstep=5) freq ub3lyp  
genECP scrf=(solvent=h2o,pcm)   

Co4(H2O)(OH)(PW9O34)2

-10 10
 27           0        0.003950    0.053371   -1.679303
 27           0       -0.009444   -0.012209    1.689159
 27           0       -0.825674   -2.555638   -0.058748
 27           0        0.856116    2.678408    0.054505
  1           0       -0.398362    4.910400   -0.687111
  1           0       -0.075464   -4.492695   -0.999043
  1           0       -0.402747    4.878775    0.873725
  8           0       -1.387649   -0.524789    3.094019
  8           0        1.398784    0.571881   -3.044693
  8           0        0.521512   -1.987736   -1.362881
  8           0       -0.620348    1.988625    1.441473
  8           0       -5.563990    2.322176    0.023816
  8           0        5.485883   -2.420040   -0.018662
  8           0       -2.358922    1.882383    3.523785
  8           0        2.250842   -1.858934   -3.459045
  8           0       -3.050436   -0.279276    5.307500
  8           0        3.022798    0.256496   -5.274630
  8           0       -3.216189    0.803655    1.301233
  8           0        3.204457   -0.814831   -1.288462
  8           0       -1.363025   -0.540406   -0.008621
  8           0        1.367853    0.543953    0.019601
  8           0       -3.201464    0.856719   -1.291391
  8           0        3.194419   -0.854078    1.295678
  8           0       -3.894551   -1.284917   -0.044302
  8           0        3.895762    1.293176    0.037575
  8           0       -2.455228    3.298974    0.058824
  8           0        2.394029   -3.319206   -0.034632
  8           0       -2.326354    2.029098   -3.461207
  8           0        2.231102   -1.963026    3.427742
  8           0       -3.831353   -1.457718   -3.011741
  8           0        3.883589    1.475042    2.993416
  8           0       -4.131936   -3.914652   -0.105420
  8           0        4.282111    3.893509    0.079625
  8           0       -6.198155    0.151607    1.265141
  8           0        6.191504   -0.269550   -1.271553
  8           0       -6.880160    2.614468    2.528569
  8           0        6.792247   -2.739781   -2.526797
  8           0       -4.799271    0.923148    3.395157
  8           0        4.742512   -1.000875   -3.391415
  8           0       -4.140518    3.153102    2.104306
  8           0        4.040080   -3.204949   -2.099368
  8           0       -1.538415    4.519493   -2.274274
  8           0        1.518476   -4.480906    2.444568
  8           0       -0.608257    2.044303   -1.362565
  8           0        0.499984   -2.051434    1.319101
  8           0       -4.120801    3.240317   -2.005483
  8           0        4.028363   -3.266581    2.033183
  8           0       -6.856547    2.722779   -2.479078
  8           0        6.771061   -2.818076    2.491279
  8           0       -6.187587    0.208023   -1.315327
  8           0        6.176104   -0.310742    1.301728
  8           0       -5.783798   -2.423019   -1.424426
  8           0        5.888441    2.330321    1.404788
  8           0       -8.080500   -1.513872   -0.072308
  8           0        8.143339    1.336044    0.055460
  8           0       -5.798857   -2.482524    1.262182
  8           0        5.898141    2.372096   -1.280849
  8           0       -4.122323   -4.381830    2.676249
  8           0        4.365065    4.357267   -2.712416
  8           0       -2.119279   -2.956120    1.318159
  8           0        2.228815    3.108088   -1.424613
  8           0        1.485587   -4.400098   -2.487545
  8           0       -1.560786    4.421219    2.449158
  8           0       -2.994971   -0.055868   -5.339368
  8           0        2.987420    0.093595    5.307740
  8           0       -4.766760    1.067983   -3.395127
  8           0        4.722998   -1.099223    3.396794
  8           0       -1.363572   -0.397949   -3.113068
  8           0        1.374873    0.474736    3.078905
  8           0       -2.098696   -2.886382   -1.466944
  8           0        2.219387    3.067192    1.548571
  8           0       -0.374798   -4.329542   -0.091299
  8           0        0.176504    4.775954    0.092739
  8           0       -4.088357   -4.262019   -2.899392
  8           0        4.349008    4.273738    2.886029
  8           0       -3.855006   -1.582309    2.908559
  8           0        3.906634    1.561949   -2.909806
 15           0       -2.892541   -0.042439   -0.011052
 15           0        2.889916    0.050224    0.017019
 74           0       -3.022337   -0.003247    3.596682
 74           0        3.013738    0.001311   -3.559635
 74           0       -3.881265   -2.960708   -1.774366
 74           0        3.997506    2.990096    1.775406
 74           0       -2.149956    2.953997   -1.813050
 74           0        2.064849   -2.964109    1.830564
 74           0       -5.462992    1.911868   -1.858105
 74           0        5.400814   -1.973961    1.859557
 74           0       -2.989129    0.148457   -3.618335
 74           0        2.988197   -0.109389    3.585642
 74           0       -2.166653    2.876294    1.917449
 74           0        2.098288   -2.895529   -1.884208
 74           0       -6.373297   -1.249334   -0.057440
 74           0        6.423883    1.154583    0.045911
 74           0       -5.479782    1.831216    1.887683
 74           0        5.422828   -1.910727   -1.875062
 74           0       -3.899665   -3.033586    1.610882
 74           0        4.008401    3.040722   -1.642669

-W P Co 0
lanl2dz
****
-O -H 0
6-31g(d,p)
****

-W P Co 0
lanl2dz



