%mem=50GB
%chk=largeCo4_11_OH_13b.chk
#p scfcyc=1000 nosym optcyc=300 guess=read opt=(maxstep=5) freq ub3lyp  
genECP scrf=(solvent=h2o,pcm)   

Co4(H2O)(OH)(PW9O34)2

-11 13
 27           0        0.000719   -0.060729   -1.664148
 27           0       -0.016338   -0.125267    1.681799
 27           0       -0.852788   -2.879138   -0.060517
 27           0        0.843686    2.594558    0.050924
  1           0       -0.387918    4.869921   -0.670166
  1           0        0.047094   -4.894557   -1.012550
  1           0       -0.392637    4.831806    0.890227
  8           0       -1.449674   -0.585704    3.065416
  8           0        1.408582    0.490351   -3.039116
  8           0        0.647950   -2.026898   -1.437134
  8           0       -0.612477    1.913516    1.459502
  8           0       -5.549088    2.425968    0.028008
  8           0        5.622406   -2.336774   -0.002591
  8           0       -2.355840    1.837498    3.532686
  8           0        2.397497   -1.904881   -3.491271
  8           0       -3.111522   -0.322728    5.277781
  8           0        3.051098    0.234975   -5.275096
  8           0       -3.251772    0.788348    1.302983
  8           0        3.259947   -0.828177   -1.283019
  8           0       -1.397448   -0.589891    0.003361
  8           0        1.384926    0.487306    0.017574
  8           0       -3.222504    0.847930   -1.284438
  8           0        3.257648   -0.842028    1.302711
  8           0       -3.945960   -1.295706   -0.050660
  8           0        3.891736    1.314300    0.022870
  8           0       -2.400858    3.271522    0.074888
  8           0        2.492460   -3.333617   -0.008983
  8           0       -2.305209    2.009399   -3.448832
  8           0        2.395520   -1.965866    3.488374
  8           0       -3.955866   -1.423779   -3.037899
  8           0        3.876364    1.510976    2.976135
  8           0       -4.325154   -3.881853   -0.133148
  8           0        4.224357    3.923466    0.062319
  8           0       -6.260980    0.268867    1.253612
  8           0        6.254045   -0.177455   -1.271228
  8           0       -6.848329    2.729581    2.542873
  8           0        6.913415   -2.646623   -2.518115
  8           0       -4.820428    0.958090    3.386909
  8           0        4.832602   -0.944209   -3.377845
  8           0       -4.096792    3.176651    2.115249
  8           0        4.178987   -3.170534   -2.068709
  8           0       -1.456269    4.472564   -2.256039
  8           0        1.695429   -4.487966    2.496873
  8           0       -0.595212    1.963185   -1.353882
  8           0        0.620086   -2.101097    1.436381
  8           0       -4.064215    3.275789   -1.993130
  8           0        4.186500   -3.211475    2.050442
  8           0       -6.815469    2.861181   -2.484648
  8           0        6.913295   -2.690153    2.515809
  8           0       -6.252407    0.337316   -1.316434
  8           0        6.251369   -0.204806    1.298553
  8           0       -5.949163   -2.296251   -1.439107
  8           0        5.873393    2.417199    1.388336
  8           0       -8.213499   -1.328018   -0.083438
  8           0        8.162811    1.492122    0.037020
  8           0       -5.971126   -2.374681    1.243006
  8           0        5.871396    2.445719   -1.295026
  8           0       -4.469903   -4.381944    2.657134
  8           0        4.289162    4.369502   -2.741354
  8           0       -2.301196   -3.138551    1.448470
  8           0        2.188809    3.092647   -1.426846
  8           0        1.645884   -4.437042   -2.486785
  8           0       -1.490925    4.361163    2.480337
  8           0       -3.022612   -0.042928   -5.323163
  8           0        3.028223    0.139515    5.310369
  8           0       -4.777746    1.136765   -3.392885
  8           0        4.830976   -1.002160    3.397663
  8           0       -1.423751   -0.446155   -3.080820
  8           0        1.394527    0.429395    3.070755
  8           0       -2.276925   -2.990467   -1.632650
  8           0        2.184906    3.070556    1.544114
  8           0       -0.414056   -4.761046   -0.172183
  8           0        0.190932    4.752356    0.110110
  8           0       -4.399118   -4.229970   -2.941735
  8           0        4.296723    4.317218    2.870910
  8           0       -3.975506   -1.586153    2.897058
  8           0        3.884584    1.567855   -2.910061
 15           0       -2.910219   -0.073587   -0.007811
 15           0        2.921496    0.042335    0.014513
 74           0       -3.080344   -0.041385    3.564961
 74           0        3.042098   -0.034242   -3.559014
 74           0       -4.044251   -2.951384   -1.818943
 74           0        3.964723    3.021961    1.762568
 74           0       -2.112341    2.919701   -1.796741
 74           0        2.188137   -2.956853    1.854137
 74           0       -5.458592    1.991378   -1.853004
 74           0        5.514269   -1.889388    1.881181
 74           0       -3.030188    0.146433   -3.597070
 74           0        3.023544   -0.102495    3.589861
 74           0       -2.132870    2.830363    1.937709
 74           0        2.198213   -2.909358   -1.872594
 74           0       -6.491148   -1.146277   -0.066705
 74           0        6.447698    1.247639    0.036038
 74           0       -5.478703    1.900426    1.884832
 74           0        5.520209   -1.850563   -1.865699
 74           0       -4.070300   -3.056405    1.607212
 74           0        3.966207    3.050906   -1.659313

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

-W P Co 0
lanl2dz



