52 
Alq3 molec optimized by CAM-B3LYPp2p
  Al        0.00000000     0.00000000     0.00000000
  O         1.86903668     0.00000000    -0.00000000
  N         0.34475514    -2.08186324    -0.00000000
  C        -0.50403843    -3.08980618     0.01827537
  C        -0.06087408    -4.42626176     0.00633950
  C         1.28603475    -4.69305238    -0.02629344
  C         2.22146217    -3.63175986    -0.04466969
  C         1.67836265    -2.32948590    -0.02695271
  C         2.49133930    -1.15188202    -0.03462562
  C         3.86374149    -1.33434531    -0.07106138
  C         4.40728270    -2.63507844    -0.09262581
  C         3.62859574    -3.76950225    -0.07897851
  H        -1.55556990    -2.82524326     0.03801861
  H        -0.79076503    -5.22769619     0.02259110
  H         1.64473827    -5.71869445    -0.03720203
  H         4.51067155    -0.46416714    -0.08287004
  H         5.48834607    -2.73863794    -0.12040594
  H         4.07434633    -4.75856393    -0.09397840
  O        -0.15251239     1.82661944    -0.17873501
  N        -0.16922744     0.01832291    -2.06268334
  C        -0.17223389    -0.93875297    -2.96674328
  C        -0.30344656    -0.66735712    -4.34025736
  C        -0.43456180     0.63256958    -4.75929725
  C        -0.43790225     1.68582616    -3.81653955
  C        -0.29911010     1.31247781    -2.46118210
  C        -0.28726636     2.27562120    -1.40014457
  C        -0.41942194     3.60801134    -1.75442465
  C        -0.55716832     3.97752134    -3.10619057
  C        -0.56866327     3.05822156    -4.12933257
  H        -0.06908868    -1.95570786    -2.60436129
  H        -0.29901860    -1.48938756    -5.04690509
  H        -0.53745403     0.86478950    -5.81574838
  H        -0.41428667     4.35922117    -0.97265435
  H        -0.65789430     5.03297072    -3.34326977
  H        -0.67633260     3.36657674    -5.16398570
  O        -1.81845117    -0.40396751     0.19280213
  N        -0.07868451     0.13080060     2.04134849
  C         0.86635468     0.41564703     2.91181325
  C         0.58377942     0.54699567     4.28422107
  C        -0.70473095     0.37929881     4.72801239
  C        -1.74136532     0.08037203     3.81272284
  C        -1.35938303    -0.03129144     2.46021166
  C        -2.29399451    -0.31830861     1.41385011
  C        -3.61640000    -0.49431038     1.78225602
  C        -3.99914003    -0.38720844     3.13570157
  C        -3.10440484    -0.10885759     4.14206090
  H         1.86434329     0.54692247     2.50808845
  H         1.38795801     0.78171409     4.97212714
  H        -0.94092960     0.47836939     5.78399556
  H        -4.35328184    -0.70639016     1.01529314
  H        -5.04688216    -0.52892386     3.38548955
  H        -3.42601555    -0.02821442     5.17515693
