   71
scf done: -1865.947337
Ti    -0.026928     0.055761    -0.355782
 C     1.796104     1.153342    -1.167632
 C     0.875269     2.174899    -0.747718
 C     0.740924     2.091223     0.657598
 C     1.563366     1.031008     1.133399
 C     2.240921     0.439810     0.012417
 C    -0.802331    -2.229373    -0.443391
 C    -1.822017    -1.408242    -0.978178
 C    -2.239249    -0.459786     0.025602
 C    -1.440762    -0.741545     1.205051
 C    -0.548441    -1.830192     0.893874
 C     2.332736     1.122974    -2.569989
 C     0.315675     3.243921    -1.630483
 C    -0.034500     3.036838     1.516992
 C     1.712448     0.787449     2.604541
 C     3.396892    -0.567312     0.005176
 C    -0.140172    -3.353312    -1.176776
 C    -2.353188    -1.621012    -2.363513
 C    -3.505159     0.402635    -0.003357
 C    -1.641540    -0.270060     2.617153
 C     0.281045    -2.591566     1.877478
 H     1.036637     4.071780    -1.762914
 H     0.074895     2.869016    -2.637583
 H    -0.609558     3.677451    -1.219476
 H     0.646670     3.696676     2.083135
 H    -0.689512     3.687041     0.917992
 H    -0.669653     2.531698     2.262591
 H     2.609217     1.297144     3.000003
 H     0.850638     1.198078     3.151859
 H     1.800112    -0.269263     2.882345
 C     4.657019     0.145152    -0.506614
 C     3.746025    -1.118450     1.387474
 C     3.089886    -1.775872    -0.883746
 H    -3.351955    -2.093371    -2.341852
 H    -2.447178    -0.696489    -2.948749
 H    -1.693046    -2.295377    -2.929495
 H    -0.872161    -4.135101    -1.442936
 H     0.336125    -3.026861    -2.117703
 H     0.636986    -3.837284    -0.567604
 H    -0.328817    -3.345756     2.407875
 H     1.107981    -3.133094     1.391329
 H     0.726309    -1.948807     2.651394
 H    -2.650099    -0.521426     2.990260
 H    -0.925821    -0.763670     3.291867
 H    -1.513230     0.813195     2.762609
 C    -4.646264    -0.429712     0.598086
 C    -3.350967     1.695161     0.800920
 C    -3.932438     0.834074    -1.408282
 H    -0.360567     0.261869    -2.115438
 H    -0.894582     0.852804    -1.698130
 H    -4.272874     2.295712     0.719145
 H    -3.175580     1.521554     1.870975
 H    -2.517412     2.301681     0.406690
 H    -4.797775     1.513535    -1.327736
 H    -3.126711     1.380692    -1.928659
 H    -4.247900    -0.009620    -2.037094
 H    -5.590948     0.142755     0.603363
 H    -4.809544    -1.350679     0.012504
 H    -4.426630    -0.729650     1.635982
 H     3.185597     1.817705    -2.693075
 H     2.675983     0.132138    -2.897278
 H     1.562433     1.440909    -3.290100
 H     4.594184    -1.817184     1.289051
 H     4.055645    -0.324967     2.085125
 H     2.912734    -1.678738     1.837221
 H     5.524598    -0.536532    -0.464127
 H     4.556949     0.490008    -1.545623
 H     4.884944     1.024190     0.120368
 H     3.971403    -2.436471    -0.954319
 H     2.264380    -2.366724    -0.453974
 H     2.801842    -1.499608    -1.909097
