   73
scf done: -1865.955582
Ti    -0.000001     0.000007    -0.480993
 H    -0.745117     0.812225    -1.790473
 H     0.745185    -0.812232    -1.790392
 C    -2.300464    -0.478581     0.087498
 C    -1.920042    -1.247796    -1.063323
 C    -0.892355    -2.154579    -0.687636
 C    -0.598862    -1.936256     0.684566
 C    -1.473733    -0.914247     1.171872
 C     0.892365     2.154601    -0.687571
 C     1.920055     1.247828    -1.063276
 C     2.300473     0.478585     0.087516
 C     1.473721     0.914203     1.171896
 C     0.598850     1.936228     0.684616
 C    -3.504058     0.473663     0.116088
 C    -2.495924    -1.266274    -2.444550
 C    -0.349175    -3.257717    -1.535306
 C     0.300022    -2.800284     1.510327
 C    -1.560414    -0.608104     2.637065
 C     0.349208     3.257777    -1.535206
 C     2.495928     1.266310    -2.444506
 C     3.504077    -0.473642     0.116095
 C     1.560329     0.607975     2.637074
 C    -0.300071     2.800215     1.510381
 H    -3.149219    -2.147459    -2.582807
 H    -3.084920    -0.375200    -2.689841
 H    -1.692350    -1.336478    -3.194747
 H    -0.937057    -4.183489    -1.396419
 H    -0.376645    -3.003913    -2.604744
 H     0.696864    -3.493943    -1.286638
 H    -0.267647    -3.617738     1.990295
 H     1.083361    -3.273715     0.897873
 H     0.805976    -2.251281     2.319161
 H    -2.459745    -1.070861     3.078171
 H    -0.697991    -1.030531     3.171194
 H    -1.601821     0.461264     2.881612
 C    -4.752220    -0.346736    -0.243467
 C    -3.771046     1.083790     1.492882
 C    -3.365614     1.653003    -0.853315
 H     3.149237     2.147483    -2.582768
 H     3.084901     0.375224    -2.689808
 H     1.692345     1.336527    -3.194692
 H     0.937164     4.183506    -1.396349
 H     0.376592     3.003980    -2.604648
 H    -0.696795     3.494079    -1.286465
 H     0.267525     3.617807     1.990200
 H    -1.083554     3.273459     0.897965
 H    -0.805848     2.251215     2.319327
 H     2.459611     1.070742     3.078271
 H     0.697853     1.030325     3.171178
 H     1.601773    -0.461409     2.881547
 C     4.752223     0.346767    -0.243498
 C     3.771114    -1.083735     1.492894
 C     3.365625    -1.653002    -0.853283
 H    -4.660220     1.732828     1.425847
 H    -3.982817     0.321329     2.257440
 H    -2.936610     1.712698     1.839035
 H    -4.297291     2.245084    -0.846228
 H    -2.543108     2.319929    -0.545782
 H    -3.162534     1.352189    -1.889485
 H    -5.654828     0.284879    -0.174707
 H    -4.710405    -0.758540    -1.262265
 H    -4.874888    -1.191008     0.456544
 H     5.654839    -0.284837    -0.174746
 H     4.710388     0.758559    -1.262299
 H     4.874896     1.191049     0.456501
 H     4.297319    -2.245057    -0.846231
 H     2.543150    -2.319944    -0.545696
 H     3.162483    -1.352207    -1.889448
 H     4.660335    -1.732708     1.425859
 H     3.982831    -0.321249     2.257443
 H     2.936732    -1.712708     1.839058
Xx    -1.437091       -1.346292        0.038595
Xx     1.437093        1.346289        0.038636
