   71
scf done: -2368.825077
Ti    -0.105187     0.110654    -0.359877
 C     1.644844     1.342599    -1.168021
 C     0.704302     2.339141    -0.788334
 C     0.459747     2.220511     0.602037
 C     1.275318     1.169928     1.113104
 C     2.039930     0.597380     0.017589
 C    -0.472300    -2.232490    -0.655554
 C    -1.617287    -1.508216    -1.062482
 C    -2.139110    -0.773907     0.074122
 C    -1.258754    -1.084896     1.182069
 C    -0.242023    -1.980867     0.721198
 C     2.224562     1.194599    -2.541782
 C     0.088664     3.341744    -1.705905
 C    -0.472845     3.062222     1.410968
 C     1.465563     0.911251     2.573277
Si     3.676184    -0.330199     0.127550
 C     0.345827    -3.096168    -1.560619
 C    -2.247083    -1.643791    -2.412789
Si    -3.796254     0.116982     0.111429
 C    -1.488069    -0.723166     2.616706
 C     0.789253    -2.661301     1.559509
 H     0.754851     4.211348    -1.841667
 H    -0.100276     2.922530    -2.707248
 H    -0.871180     3.720226    -1.321180
 H     0.060844     3.886634     1.916585
 H    -1.262893     3.515537     0.791340
 H    -0.970538     2.478420     2.203434
 H     2.267030     1.554067     2.982354
 H     0.555294     1.133195     3.151731
 H     1.752488    -0.128174     2.786049
 C     5.044581     0.895419    -0.319076
 C     4.098211    -0.964494     1.855615
 C     3.821360    -1.804758    -1.044244
 H    -2.922665    -2.518842    -2.448294
 H    -2.845183    -0.763037    -2.688288
 H    -1.492970    -1.785530    -3.203638
 H    -0.280427    -3.865543    -2.043424
 H     0.819160    -2.519360    -2.377073
 H     1.145843    -3.620278    -1.017438
 H     0.430930    -3.650285     1.897008
 H     1.728886    -2.829595     1.009257
 H     1.036150    -2.088022     2.465703
 H    -2.337268    -1.292440     3.036787
 H    -0.611096    -0.952497     3.240193
 H    -1.722559     0.344238     2.757139
 C    -5.167346    -1.178534    -0.010036
 C    -4.076074     1.097864     1.701252
 C    -4.045920     1.370802    -1.283135
 H    -0.776851     0.610625    -1.973980
 H    -1.256643     1.055047    -1.378164
 H    -5.045626     1.618324     1.607160
 H    -4.123984     0.462391     2.599414
 H    -3.301376     1.867680     1.857282
 H    -5.075351     1.764715    -1.213328
 H    -3.351354     2.221788    -1.176778
 H    -3.917741     0.954508    -2.294735
 H    -6.164662    -0.708368     0.037426
 H    -5.103181    -1.746197    -0.953490
 H    -5.088861    -1.900364     0.820897
 H     3.166252     1.763204    -2.656922
 H     2.453138     0.144509    -2.784512
 H     1.532090     1.558830    -3.316948
 H     5.089288    -1.448196     1.793031
 H     4.174517    -0.146417     2.589824
 H     3.385764    -1.712079     2.238266
 H     6.037099     0.429737    -0.190406
 H     4.966763     1.243696    -1.361975
 H     4.994649     1.781194     0.337170
 H     4.838339    -2.225383    -0.953153
 H     3.106165    -2.605742    -0.795573
 H     3.670136    -1.530695    -2.101067
