   73
scf done: -2368.831594
Ti     0.000000     0.000000    -0.517597
 H     0.895832    -0.743846    -1.783502
 H    -0.895830     0.743844    -1.783504
 C     2.162021     0.750161     0.085391
 C     1.727826     1.497358    -1.060294
 C     0.599602     2.273532    -0.699382
 C     0.314020     2.015156     0.675192
 C     1.293271     1.105640     1.164302
 C    -0.599602    -2.273533    -0.699382
 C    -1.727826    -1.497357    -1.060294
 C    -2.162021    -0.750161     0.085391
 C    -1.293271    -1.105640     1.164302
 C    -0.314021    -2.015156     0.675192
Si     3.772523    -0.246512     0.119802
 C     2.353852     1.536129    -2.415729
 C    -0.062132     3.311168    -1.543356
 C    -0.733888     2.735299     1.460548
 C     1.480769     0.750995     2.604207
 C     0.062131    -3.311168    -1.543356
 C    -2.353852    -1.536129    -2.415729
Si    -3.772523     0.246513     0.119802
 C    -1.480769    -0.750996     2.604207
 C     0.733888    -2.735299     1.460548
 H     2.918416     2.474814    -2.562636
 H     3.046678     0.698318    -2.577705
 H     1.590633     1.484265    -3.209043
 H     0.402511     4.300504    -1.377898
 H     0.021913     3.078439    -2.615218
 H    -1.133750     3.410836    -1.313079
 H    -0.443600     3.786989     1.632545
 H    -1.703035     2.760236     0.933951
 H    -0.904121     2.283216     2.449380
 H     2.298169     1.354754     3.036611
 H     0.582641     0.959647     3.202080
 H     1.752118    -0.303771     2.756438
 C     5.172683     0.949628    -0.297502
 C     4.171477    -0.970270     1.817213
 C     3.808116    -1.682748    -1.101774
 H    -2.918417    -2.474813    -2.562636
 H    -3.046678    -0.698318    -2.577705
 H    -1.590634    -1.484265    -3.209043
 H    -0.402512    -4.300504    -1.377899
 H    -0.021912    -3.078439    -2.615218
 H     1.133749    -3.410837    -1.313078
 H     0.443600    -3.786989     1.632544
 H     1.703035    -2.760235     0.933951
 H     0.904120    -2.283218     2.449380
 H    -2.298169    -1.354754     3.036611
 H    -0.582641    -0.959648     3.202080
 H    -1.752119     0.303771     2.756438
 C    -5.172683    -0.949627    -0.297502
 C    -4.171477     0.970271     1.817214
 C    -3.808115     1.682748    -1.101774
 H     5.149807    -1.476501     1.737019
 H     4.259298    -0.197682     2.597682
 H     3.436822    -1.721535     2.150044
 H     4.824514    -2.113828    -1.114623
 H     3.108972    -2.480428    -0.800207
 H     3.544411    -1.385255    -2.128707
 H     6.145404     0.432106    -0.233529
 H     5.077149     1.368366    -1.312048
 H     5.187049     1.790973     0.415892
 H    -6.145403    -0.432106    -0.233528
 H    -5.077150    -1.368365    -1.312048
 H    -5.187049    -1.790973     0.415891
 H    -4.824514     2.113828    -1.114625
 H    -3.108972     2.480429    -0.800206
 H    -3.544408     1.385256    -2.128707
 H    -5.149807     1.476501     1.737019
 H    -4.259298     0.197682     2.597682
 H    -3.436822     1.721535     2.150044
Xx     1.219348        1.528369        0.033042
Xx    -1.219348       -1.528369        0.033042

