106
2, electronic energy = -2867.77100508 a.u
Ti    2.462183   -0.000813   -0.000084
Si   -1.680438   -2.870227    1.366028
Si   -2.421182    2.516820    1.612168
Si   -1.677984    2.871133   -1.366016
Si   -2.423647   -2.514952   -1.612035
Al   -0.630603    0.000055    0.000075
 O    0.809361   -0.057167   -1.216028
 O    0.809526    0.056152    1.216085
 O    3.379689    1.556679   -0.070702
 O    3.379163   -1.558642    0.070298
 C   -1.992129    1.553665   -0.008662
 C   -3.259346    0.679458   -0.371483
 H   -4.200294    1.203736   -0.158035
 H   -3.285032    0.471547   -1.449010
 C   -1.993527   -1.552331    0.008839
 C   -3.259895   -0.676984    0.371874
 H   -4.201349   -1.200415    0.158582
 H   -3.285211   -0.469056    1.449406
 C   -1.869863   -2.185428    3.136858
 H   -1.239398   -1.328920    3.383397
 H   -1.614289   -2.990395    3.839648
 H   -2.909208   -1.902178    3.344724
 C    0.928041    0.245547    2.647906
 H   -0.086690    0.255059    3.046729
 C   -2.332154    1.619820    3.299948
 H   -1.336538    1.654812    3.753849
 H   -2.667948    0.579178    3.290220
 H   -3.002532    2.165703    3.978760
 C    0.927543   -0.247192   -2.647791
 H   -0.087251   -0.256056   -3.046478
 C   -1.370959    4.083196    1.910762
 H   -1.593153    4.446364    2.923646
 H   -1.595343    4.900632    1.218367
 H   -0.292752    3.898518    1.862062
 C   -2.334125   -1.617884   -3.299748
 H   -1.338515   -1.653275   -3.753634
 H   -2.669471   -0.577100   -3.289972
 H   -3.004718   -2.163453   -3.978603
 C    0.043456   -3.669855    1.226559
 H    0.834882   -2.943439    1.013586
 H    0.075742   -4.431358    0.440289
 H    0.295950   -4.171987    2.170692
 C   -1.868015    2.186265   -3.136755
 H   -1.238243    1.329214   -3.383181
 H   -1.611799    2.990936   -3.839650
 H   -2.907589    1.903829   -3.344579
 C   -4.245339    3.089189    1.584418
 H   -4.378797    3.851732    2.364407
 H   -4.928434    2.264495    1.825383
 H   -4.572350    3.526161    0.636520
 C    1.692976   -0.913410    3.286449
 H    1.206559   -1.870975    3.087716
 H    1.738759   -0.771198    4.373163
 H    2.720663   -0.965436    2.908300
 C    0.046581    3.669338   -1.226756
 H    0.079570    4.430884   -0.440556
 H    0.299402    4.171180   -2.170955
 H    0.837418    2.942281   -1.013793
 C   -2.933047   -4.315108    1.423181
 H   -2.658922   -4.967124    2.264583
 H   -2.963380   -4.939879    0.525353
 H   -3.953057   -3.957932    1.614691
 C    1.586608    1.589815    2.959573
 H    2.629799    1.605574    2.623970
 H    1.574760    1.770559    4.041453
 H    1.058972    2.411550    2.469835
 C   -4.248282   -3.085800   -1.584099
 H   -4.382499   -3.848028   -2.364268
 H   -4.930736   -2.260481   -1.824736
 H   -4.575504   -3.522756   -0.636265
 C   -2.929353    4.317082   -1.423266
 H   -3.949694    3.960786   -1.614645
 H   -2.654722    4.968757   -2.264767
 H   -2.959060    4.941987   -0.525509
 C    1.693306    0.910920   -3.286876
 H    1.207676    1.868946   -3.088433
 H    1.738826    0.768265   -4.373543
 H    2.721090    0.962262   -2.908893
 C   -1.374743   -4.082136   -1.911026
 H   -1.599458   -4.899420   -1.218563
 H   -0.296378   -3.898257   -1.862761
 H   -1.597607   -4.445108   -2.923833
 C    1.585023   -1.592096   -2.959028
 H    2.628280   -1.608494   -2.623657
 H    1.572783   -1.773308   -4.040825
 H    1.056886   -2.413217   -2.468797
 C    4.164555    2.728332    0.027732
 H    3.595878    3.452780    0.631910
 C    4.164317   -2.730058   -0.028585
 H    3.596605   -3.453739   -0.634592
 C    4.389696    3.324278   -1.364161
 H    4.955841    2.625700   -1.992623
 H    4.955516    4.261511   -1.294463
 H    3.433317    3.535412   -1.853041
 C    5.481982    2.415749    0.743161
 H    5.293260    1.985835    1.733302
 H    6.078600    3.327309    0.872443
 H    6.070875    1.695755    0.161943
 C    4.387469   -3.327900    1.362816
 H    4.952700   -2.630180    1.993050
 H    4.953408   -4.265025    1.292651
 H    3.430388   -3.539708    1.850034
 C    5.482751   -2.416361   -0.741666
 H    5.295415   -1.985152   -1.731509
 H    6.079681   -3.327670   -0.871284
 H    6.070697   -1.697061   -0.158634
