89

Pu       0.00000000       0.00000000       0.00000000
C       0.00000000       0.00000000       2.74863689
C       1.27085170      -2.34182024       0.50122965
C      -0.24602445      -2.54490903      -1.16812403
C      -0.04408675      -2.74280495       0.20114758
C       0.92763640      -2.01373788      -1.75949993
C       1.87186040      -1.91449317      -0.69430966
C      -2.76584204       0.04193722       0.70983454
C      -2.47226235       1.41107167       0.52248549
C      -2.20102662       1.54165123      -0.86883608
C      -2.30127027       0.29963178      -1.48660636
C      -2.66766383      -0.63335651      -0.50041956
C       1.66778909       2.17706887       0.69476777
C       0.68880928       2.67387818      -0.18078778
C       0.93755723       2.14922368      -1.45758601
C       2.07353804       1.34424653      -1.36592974
C       2.55654500       1.34130003      -0.03684195
Si       1.26345202      -1.89894029      -3.59131893
H      -1.16090653      -2.78522019      -1.70975802
H      -0.77197910      -3.11287753       0.92082369
H       1.71529974      -2.33995272       1.49631243
H       2.89500427      -1.56352623      -0.80045941
C       0.37679909      -0.46609084      -4.46251245
H      -0.71512299      -0.56089946      -4.36235243
H       0.61377141      -0.45508172      -5.53884771
H       0.66642599       0.50586484      -4.03880930
C       0.67078694      -3.49676958      -4.42789862
H       1.19575412      -4.37156254      -4.01514557
H       0.84757249      -3.46829263      -5.51489291
H      -0.40702039      -3.65169356      -4.26521808
C       3.12459645      -1.73575528      -3.91224641
H       3.53223094      -0.79178600      -3.52173291
H       3.33246800      -1.76403880      -4.99333847
H       3.67825506      -2.56055535      -3.43856244
Si      -2.89963189       2.80701918       1.70129716
H      -3.05550500      -0.41576550       1.65360967
H      -2.86634380      -1.69119647      -0.65232623
H      -2.16889484       0.09727504      -2.54893042
H      -1.97092569       2.47702245      -1.37692931
C      -3.46932995       4.29475481       0.66821599
H      -2.66619530       4.65644926       0.00627534
H      -3.76630646       5.13229520       1.32012226
H      -4.32883456       4.02772539       0.03439755
C      -1.53862255       3.42852736       2.86674152
H      -1.22757036       2.65129637       3.58033660
H      -1.92374289       4.28483139       3.44539586
H      -0.64178942       3.76425060       2.32626525
C      -4.33888838       2.23813325       2.79476983
H      -5.19818888       1.92049190       2.18618472
H      -4.66890011       3.04878743       3.46362648
H      -4.04006090       1.38638324       3.42391548
Si       4.29921886       0.85701796       0.47950731
H       2.54159620       0.82880343      -2.20366981
H       0.36439340       2.35266906      -2.36137034
H      -0.11610979       3.35457016       0.08744103
H       1.74789374       2.42602878       1.75197529
C       4.54851780      -0.72446498       1.49048765
H       3.95255805      -0.71818780       2.41398646
H       5.61436144      -0.80861835       1.76338116
H       4.27197485      -1.62991121       0.93080624
C       5.35613808       0.68529054      -1.09064123
H       5.03033836      -0.16495891      -1.70972319
H       6.41098082       0.51231658      -0.82351794
H       5.30341914       1.59242294      -1.71107649
C       5.00193034       2.29004950       1.50821644
H       4.95904558       3.23479273       0.94537486
H       6.05034404       2.09822860       1.78705815
H       4.42916991       2.42975145       2.43863062
Si      -0.29772525      -3.58368843       4.72305246
C      -0.73151913      -1.11092831       3.23787973
H      -1.80106694      -1.27255403       3.10951983
H      -0.44324778       0.95481076       2.44407724
C       1.32893774      -0.15486189       3.19874738
H       2.13901702       0.55810676       3.05176285
C       1.41738583      -1.34598965       3.89477607
H       2.32973012      -1.74703369       4.34425854
C       0.13513070      -1.96563639       3.93869287
C       0.66944817      -5.03248159       3.96154780
H       0.45802108      -5.12154754       2.88562988
H       0.42127143      -5.99245044       4.44344538
H       1.75295968      -4.86994523       4.06878125
C       0.10253162      -3.58036194       6.58266738
H       1.16634232      -3.35198861       6.74825246
H      -0.11189598      -4.55469161       7.05154743
H      -0.48410272      -2.80922186       7.10410191
C      -2.14949725      -3.94819107       4.52406272
H      -2.76092954      -3.14662400       4.96533009
H      -2.42061822      -4.89326484       5.02000669
H      -2.42542050      -4.03449492       3.46212564

89

U      13.36988900       3.02570200       5.07229500
Si      17.35527798       4.58983390       5.25995786
Si       9.39451575       4.27220142       6.50861982
Si      14.04872569       3.00279291       0.70922850
Si      13.10519225      -2.80925144       5.46816309
C      15.80363800       2.37145900       6.38417200
H      15.93281012       2.69396737       7.41693778
C      15.21630000       1.16111100       5.97725900
H      14.78279285       0.40015359       6.62237857
C      15.26482600       1.10641200       4.56127200
H      14.85289705       0.30700844       3.94680522
C      15.88560100       2.28634000       4.11396300
H      16.09337674       2.53765993       3.07712389
C      16.22490500       3.10352700       5.23404200
C      16.50961054       6.22384076       5.72089306
H      15.74236379       6.50387187       4.98489941
H      17.24838061       7.04007626       5.77250877
H      16.01812905       6.15335974       6.70333635
C      18.19387142       4.80672359       3.57414239
H      17.46793807       5.01321816       2.77330596
H      18.75042244       3.89936472       3.29502004
H      18.90455441       5.64813942       3.60343314
C      18.71522418       4.28723306       6.54980007
H      18.28507016       4.14204255       7.55258773
H      19.41488079       5.13681138       6.60199839
H      19.28914029       3.38140999       6.30252714
C      11.71231800       2.68757500       7.38864700
H      11.15813443       1.75447744       7.47817832
C      13.02279600       2.89806000       7.83891200
H      13.65456219       2.15768620       8.32473791
C      13.36893400       4.24178400       7.56057500
H      14.30984414       4.72973695       7.81105824
C      12.24740700       4.85340400       6.95431000
H      12.18689399       5.89997038       6.65828604
C      11.19926300       3.89988600       6.82737600
C       8.40587474       3.78007900       8.05279313
H       8.52361557       2.70672762       8.26885316
H       7.33069962       3.98510462       7.92368704
H       8.75979267       4.33496145       8.93510407
C       9.15274482       6.13646996       6.25199742
H       9.66484932       6.51354491       5.35413833
H       9.53477434       6.69882513       7.11764000
H       8.08085437       6.36894917       6.14720999
C       8.62617578       3.34632631       5.04593052
H       9.10887173       3.60310934       4.09187624
H       7.55514013       3.59263532       4.96192667
H       8.70929398       2.25647742       5.17566798
C      12.04332500       3.88379500       2.67646500
H      11.24353274       3.25378782       2.28775535
C      11.87625400       4.90931500       3.62034700
H      10.93863265       5.20411129       4.08258507
C      13.13622600       5.50531200       3.84301600
H      13.34184366       6.34721943       4.50284674
C      14.07415700       4.84495800       3.01802300
H      15.12564835       5.11115262       2.92688896
C      13.41415700       3.82151100       2.27562800
C      15.34365246       4.15470314      -0.06827545
H      16.22323051       4.26677580       0.58515382
H      14.92921670       5.15820639      -0.24670444
H      15.69659672       3.74932647      -1.03007880
C      12.58773103       2.85412818      -0.49234556
H      11.81542047       2.17443372      -0.10025747
H      12.92113443       2.45371927      -1.46292305
H      12.11656212       3.83340526      -0.66426059
C      14.84026735       1.28611173       0.82628279
H      14.20840064       0.58548360       1.38992429
H      15.82597677       1.30907929       1.31270631
H      14.98118481       0.88763032      -0.19204155
C      11.68165600       0.91859200       4.42662000
H      10.96562231       1.73397342       4.59099848
C      12.06658700       0.40957800       3.15415300
H      11.92701648       0.91521451       2.19939827
C      12.61926400      -0.85522100       3.33363500
H      13.02639043      -1.48341258       2.53840657
C      12.58322900      -1.19832600       4.71990000
C      11.98822600      -0.10614900       5.37986100
H      11.77200442      -0.05758098       6.44731444
C      14.04168189      -2.57500451       7.10457260
H      14.98958559      -2.03937372       6.94503713
H      14.27217322      -3.54537454       7.57365559
H      13.44418631      -1.99008579       7.82147140
C      11.60757089      -3.91959263       5.85088616
H      10.92974236      -3.42112002       6.56125175
H      11.91171111      -4.88515098       6.28769065
H      11.03199090      -4.12169804       4.93425103
C      14.22993964      -3.76546665       4.27419715
H      15.14046667      -3.19058907       4.04485042
H      13.71534762      -3.97048006       3.32224600
H      14.53545754      -4.73189839       4.70602359


89

Ce       0.00000000       0.00000000       0.00000000
Si       4.12396627      -1.06576192       1.16602904
Si      -2.09429896       0.80963080      -3.66892787
Si      -3.14285719      -3.07490318       0.61297943
Si      -1.75079827       3.31640699       4.49179546
C       2.65203124       0.02753859      -1.14096599
H       2.89795117      -0.78661528      -1.82173210
C       2.00676141       1.22665081      -1.50810730
H       1.67769797       1.49670411      -2.51070920
C       1.90861834       2.03255705      -0.34999568
H       1.47400475       3.02810178      -0.28952283
C       2.47388976       1.31867348       0.71521932
H       2.55941268       1.68016515       1.73896363
C       2.94465418       0.05790739       0.24628569
C       3.37706121      -2.01435254       2.62635628
H       4.15712730      -2.61597601       3.12020825
H       2.57130260      -2.69560084       2.31748019
H       2.95925712      -1.32764260       3.37806621
C       4.89087506      -2.31043875      -0.04251740
H       5.63013479      -2.94290935       0.47463012
H       5.40795130      -1.78473888      -0.86109013
H       4.14083349      -2.97625299      -0.49610892
C       5.52871044      -0.00493120       1.87468651
H       6.26976267      -0.62401683       2.40527049
H       5.13497460       0.73526030       2.58823574
H       6.04691561       0.54721227       1.07581749
C      -2.63463343       0.62426730      -0.77458373
H      -3.30880390      -0.22447407      -0.85744831
C      -2.37349530       1.35082578       0.40095721
H      -2.76172774       1.15098337       1.39866677
C      -1.45636008       2.37840894       0.06880822
H      -1.04327121       3.10380562       0.76673326
C      -1.15944171       2.26602937      -1.29875598
H      -0.49060517       2.92328917      -1.85423925
C      -1.87882491       1.17141768      -1.84768983
C      -3.59933169      -0.31082926      -3.93954551
H      -3.76783240      -0.47731187      -5.01534051
H      -4.50810316       0.14678539      -3.51987780
H      -3.47337253      -1.29718261      -3.46764703
C      -2.41294214       2.44387841      -4.57993879
H      -2.58862040       2.27817424      -5.65458291
H      -1.55462401       3.12621304      -4.48020081
H      -3.29184970       2.95701747      -4.16143751
C      -0.59385466       0.00056915      -4.50199616
H      -0.77773202      -0.13756901      -5.57979488
H      -0.37031536      -0.98381921      -4.06638836
H       0.30598424       0.62542206      -4.39316707
C      -0.21456058      -2.80613893       0.69827473
H      -0.12727703      -3.05883981       1.75485704
C       0.85726325      -2.68907295      -0.19381993
H       1.90778844      -2.82849650       0.04798938
C       0.33948573      -2.36871315      -1.46396961
H       0.91453619      -2.22273462      -2.37744839
C      -1.06400870      -2.29893111      -1.34437541
H      -1.75437584      -2.10258446      -2.16291822
C      -1.43857317      -2.56764232       0.00515805
C      -4.26652643      -1.75581868       1.37544267
H      -5.11878441      -2.25340433       1.86734281
H      -4.67540557      -1.06488747       0.62421840
H      -3.73415139      -1.15585678       2.12699384
C      -4.07898320      -3.82783882      -0.85697930
H      -5.06375350      -4.20683663      -0.54022088
H      -3.51429647      -4.66096938      -1.30204664
H      -4.25146622      -3.08102238      -1.64773826
C      -2.90837045      -4.42557987       1.92411091
H      -3.88214552      -4.83576253       2.23544003
H      -2.41319838      -4.02944963       2.82387834
H      -2.29262728      -5.25124701       1.53806076
C      -0.01357715       1.37509428       3.16920676
H       0.81443200       2.07062106       3.02968572
C       0.00000000       0.00000000       2.82406205
H       0.89855284      -0.57927483       2.58442543
C      -1.24422525      -0.54803651       3.23443901
H      -1.53931434      -1.59365382       3.15694954
C      -1.99410271       0.47899923       3.79770072
H      -3.00622494       0.37157075       4.19478399
C      -1.25045928       1.68818371       3.76752255
C      -1.31474548       4.77370197       3.35232493
H      -1.52990765       5.73968485       3.83714712
H      -1.88626141       4.72740853       2.41289198
H      -0.24401092       4.75991695       3.09358765
C      -0.86734974       3.64565332       6.14665795
H      -1.16563796       4.60995750       6.59058557
H       0.22429615       3.66041688       6.00189373
H      -1.09132716       2.84775436       6.87159702
C      -3.61933231       3.35883365       4.82915681
H      -3.91621933       4.31331273       5.29234544
H      -3.91474669       2.54722702       5.51325022
H      -4.19396534       3.23700543       3.89753943

