   55
scf done: -1630.294853
Ti     0.003806    -0.015823    -0.480631
 H     0.026998     1.155287    -1.754393
 H    -0.003293    -1.308405    -1.625530
 C    -2.008384     1.204446    -0.195372
 C    -2.270036     0.139756    -1.100921
 C    -2.096202    -1.085132    -0.401863
 C    -1.711478    -0.782076     0.934130
 C    -1.664857     0.641501     1.063150
 C     2.188799     0.758168    -0.801178
 C     2.218255    -0.658956    -0.890958
 C     1.864021    -1.188178     0.384275
 C     1.637009    -0.099641     1.268912
 C     1.807141     1.105666     0.528853
 C    -2.124802     2.666564    -0.469649
 C    -2.662039     0.258921    -2.534366
 C    -2.390501    -2.453220    -0.920422
 C    -1.605793    -1.800777     2.023867
 C    -1.517748     1.432573     2.322100
 C     2.647789     1.713078    -1.852607
 C     2.664256    -1.441056    -2.080969
 C     1.810634    -2.642074     0.723409
 C     1.452614    -0.209686     2.746285
 C     1.732374     2.507380     1.041391
 H    -3.727726     0.009380    -2.680684
 H    -2.500965     1.277652    -2.915978
 H    -2.073677    -0.424464    -3.168033
 H    -3.402653    -2.778134    -0.616868
 H    -2.342786    -2.490181    -2.018773
 H    -1.679696    -3.200977    -0.534437
 H    -2.576364    -2.304999     2.176162
 H    -0.872501    -2.594057     1.799928
 H    -1.325909    -1.349948     2.987330
 H    -2.494713     1.845965     2.629871
 H    -1.148377     0.822431     3.158796
 H    -0.836212     2.291194     2.206904
 H    -3.079121     3.067204    -0.082878
 H    -1.319145     3.241811     0.015165
 H    -2.080677     2.886130    -1.546409
 H     3.766492    -1.443124    -2.162078
 H     2.329876    -2.487791    -2.026485
 H     2.265046    -1.018927    -3.016702
 H     3.737953     1.881936    -1.778853
 H     2.438164     1.336250    -2.865154
 H     2.152826     2.691470    -1.759165
 H     2.725076     2.990336     1.022935
 H     1.065797     3.138431     0.427202
 H     1.372045     2.551919     2.079914
 H     2.430074    -0.365464     3.236055
 H     1.018371     0.700645     3.183447
 H     0.815348    -1.058953     3.034774
 H     2.812583    -3.102174     0.669291
 H     1.432996    -2.811701     1.743130
 H     1.164111    -3.204194     0.027011
Xx    -1.950191        0.023699        0.059825
Xx     1.943045       -0.016588        0.097981

