  14
MoH@Ag12
Ag   0.915487     1.400046    -1.938663
Ag   0.754735    -1.492845    -1.938399
Ag  -1.670244     0.092857    -1.938460
Ag  -1.227038     2.427153    -0.440620
Ag   1.497712     2.290560     0.733660
Ag   2.715381    -0.150602    -0.440415
Ag   1.234859    -2.442015     0.733872
Ag  -1.488324    -2.276080    -0.440270
Ag  -2.732324     0.151897     0.733919
Ag   -0.940587     1.860785     2.241965
Ag    2.081366    -0.115348     2.242114
Ag   -1.140540    -1.744739     2.242269
Mo -0.000029     0.000191     0.371154
 H -0.000272     0.000567     2.208144

  14
MoH@Au12
Au    0.925459     1.415388    -1.909490
Au    0.762902    -1.508983    -1.909448
Au   -1.688198     0.093814    -1.909610
Au   -1.227212     2.427042    -0.516160
Au    1.480342     2.264267     0.819264
Au    2.715348    -0.150794    -0.515997
Au    1.220381    -2.414026     0.819495
Au   -1.488349    -2.275993    -0.515782
Au   -2.700969     0.149906     0.819423
Au    -0.978118     1.934335     2.181958
Au     2.163920    -0.120005     2.182109
Au    -1.185952    -1.813688     2.182388
Mo    -0.000019     0.000130     0.410497
 H     0.000646     0.001032     2.231622

14
WH@Ag12
Ag    0.917620     1.403431    -1.936607
Ag    0.756645    -1.496477    -1.936265
Ag   -1.674373     0.093040    -1.936324
Ag   -1.225673     2.424629    -0.448481
Ag    1.497720     2.290618     0.743723
Ag    2.712541    -0.150312    -0.448305
Ag    1.234866    -2.442064     0.744033
Ag   -1.486753    -2.273674    -0.448155
Ag   -2.732461     0.151981     0.743978
Ag    -0.950250     1.879920     2.233634
Ag     2.102751    -0.116479     2.233847
Ag    -1.152377    -1.762528     2.233884
 W    -0.000006     0.000125     0.374054
 H    -0.000071     0.000217     2.217255

14
WH@Au12
Au    0.925974     1.416408    -1.908785
Au    0.762883    -1.509142    -1.909822
Au   -1.688410     0.093462    -1.909911
Au   -1.226543     2.423793    -0.521730
Au    1.477204     2.259271     0.825447
Au    2.712115    -0.151285    -0.521563
Au    1.217578    -2.408685     0.825301
Au   -1.486405    -2.273394    -0.520851
Au   -2.694976     0.149644     0.825187
Au    -0.985051     1.948557     2.174564
Au     2.179797    -0.121001     2.174709
Au    -1.194430    -1.826350     2.175398
 W     0.000046     0.000276     0.414517
 H     0.000398     0.000873     2.247807

14
TcH@Ag12
Ag    0.913276     1.396918    -1.942204
Ag    0.753127    -1.489415    -1.941908
Ag   -1.666518     0.092532    -1.942019
Ag   -1.228468     2.430069    -0.424082
Ag    1.495889     2.287783     0.730103
Ag    2.718632    -0.150711    -0.423851
Ag    1.233345    -2.439110     0.730191
Ag   -1.490093    -2.278748    -0.423658
Ag   -2.729061     0.151753     0.730252
Ag    -0.937729     1.855043     2.263984
Ag     2.074975    -0.115129     2.264174
Ag    -1.136970    -1.739078     2.264205
Tc    -0.000011     0.000161     0.371502
 H    -0.000214     0.000358     2.113582

14
TcH@Au12
Au    0.921593     1.409313    -1.903367
Au    0.760095    -1.503224    -1.902215
Au   -1.681738     0.093757    -1.902484
Au   -1.231492     2.437485    -0.505810
Au    1.475324     2.256623     0.818226
Au    2.726647    -0.150687    -0.505657
Au    1.216523    -2.405868     0.818571
Au   -1.494705    -2.285293    -0.505582
Au   -2.691965     0.149476     0.818551
Au    -0.988545     1.954772     2.190257
Au     2.186893    -0.121213     2.190382
Au    -1.198388    -1.833043     2.190555
Tc    -0.000050     0.000131     0.424826
 H    -0.000012     0.000198     2.144018

14
ReH@Ag12
Ag    0.915218     1.399622    -1.939358
Ag    0.754494    -1.492366    -1.939101
Ag   -1.669795     0.092832    -1.939181
Ag   -1.228122     2.429419    -0.435528
Ag    1.495622     2.287571     0.740406
Ag    2.717955    -0.150703    -0.435228
Ag    1.233203    -2.438811     0.740511
Ag   -1.489734    -2.278156    -0.435078
Ag   -2.728723     0.151742     0.740645
Ag    -0.952571     1.884166     2.253606
Ag     2.107549    -0.116851     2.253839
Ag    -1.154912    -1.766602     2.253934
Re    -0.000009     0.000161     0.378339
 H     0.000005     0.000402     2.132464

14
ReH@Au12
Au    0.923362     1.411864    -1.901028
Au    0.761339    -1.505987    -1.900044
Au   -1.684771     0.093992    -1.900325
Au   -1.230971     2.436234    -0.520671
Au    1.470622     2.249564     0.836230
Au    2.725300    -0.150873    -0.520593
Au    1.212703    -2.398298     0.836583
Au   -1.494012    -2.284177    -0.520511
Au   -2.683458     0.149061     0.836477
Au    -1.007862     1.992612     2.175167
Au     2.229354    -0.123433     2.175215
Au    -1.221515    -1.868589     2.175392
Re    -0.000016     0.000123     0.434655
 H     0.000103     0.000333     2.163724

14
RuH@Ag12
Ag    0.913540     1.397163    -1.957398
Ag    0.753159    -1.489585    -1.957189
Ag   -1.666754     0.092591    -1.957275
Ag   -1.238611     2.450002    -0.411681
Ag    1.500536     2.294965     0.719380
Ag    2.741043    -0.151958    -0.411462
Ag    1.237137    -2.446759     0.719380
Ag   -1.502280    -2.297548    -0.411201
Ag   -2.737623     0.152214     0.719464
Ag    -0.936801     1.853036     2.297303
Ag     2.072747    -0.115036     2.297446
Ag    -1.135856    -1.737293     2.297669
Ru    -0.000015     0.000187     0.373379
 H    -0.000045     0.000447     2.052456

14
RuH@Au12
Au    0.915903     1.401011    -1.907915
Au    0.755512    -1.493842    -1.907010
Au   -1.671426     0.092914    -1.907230
Au   -1.244079     2.461906    -0.491190
Au    1.478068     2.260822     0.800854
Au    2.754138    -0.152384    -0.491078
Au    1.218743    -2.410285     0.801356
Au   -1.509736    -2.308437    -0.490963
Au   -2.696904     0.149656     0.801241
Au    -0.996300     1.970737     2.205913
Au     2.204651    -0.122486     2.205994
Au    -1.208375    -1.847880     2.206122
Ru    -0.000011     0.000168     0.443445
 H    -0.000004     0.000525     2.100731

14
OsH@Ag12
Ag    0.914862     1.399117    -1.954413
Ag    0.754198    -1.491721    -1.954295
Ag   -1.669142     0.092746    -1.954311
Ag   -1.238150     2.448910    -0.425176
Ag    1.501009     2.295687     0.731343
Ag    2.739871    -0.151953    -0.424962
Ag    1.237509    -2.447552     0.731374
Ag   -1.501619    -2.296541    -0.424785
Ag   -2.738494     0.152216     0.731468
Ag    -0.957972     1.894600     2.284165
Ag     2.119310    -0.117818     2.284420
Ag    -1.161226    -1.776189     2.284505
Os    -0.000010     0.000204     0.383442
 H     0.000035     0.000720     2.077496

14
OsH@Au12
Au    0.917693     1.403532    -1.903256
Au    0.756843    -1.496757    -1.902282
Au   -1.674664     0.093236    -1.902480
Au   -1.245483     2.464637    -0.516503
Au    1.472936     2.252888     0.825865
Au    2.757132    -0.152476    -0.516304
Au    1.214420    -2.401912     0.826363
Au   -1.511368    -2.311030    -0.516291
Au   -2.687435     0.149306     0.826250
Au    -1.027860     2.032885     2.182246
Au     2.274138    -0.126199     2.182449
Au    -1.246418    -1.906233     2.182479
Os     0.000010     0.000154     0.468195
 H     0.000237     0.000392     2.133538

14
RhH@Ag12
Ag    0.919863     1.407129    -1.990901
Ag    0.758640    -1.500006    -1.990636
Ag   -1.678560     0.093112    -1.990743
Ag   -1.257189     2.486798    -0.402727
Ag    1.518679     2.322625     0.704454
Ag    2.782262    -0.154153    -0.402522
Ag    1.252159    -2.476308     0.704447
Ag   -1.524849    -2.332083    -0.402251
Ag   -2.770763     0.153916     0.704502
Ag    -0.936544     1.852799     2.344575
Ag     2.072332    -0.115490     2.344658
Ag    -1.135583    -1.736718     2.344997
Rh    -0.000017     0.000205     0.372190
 H    -0.000251     0.000600     2.030226

14
RhH@Au12
Au    0.986353     2.146548    -2.321390
Au   -0.188264    -2.381050    -0.625263
Au   -0.935687     0.201235    -1.751099
Au   -0.723304     2.517331    -0.090905
Au    2.100260     1.981028     0.260270
Au    1.856848    -0.406911    -1.220662
Au    2.011685    -2.005499     1.106424
Au   -2.618971    -1.980197    -1.839569
Au   -2.525798    -0.594153     0.541326
Au    -1.889071     1.489081     2.212411
Au     2.193018     0.486203     2.608896
Au    -0.647683    -2.185326     2.139955
Rh     0.112439     0.112902     0.901105
 H     0.268353     0.621235     2.448773

14
IrH@Ag12
Ag    0.918583     1.404881    -1.984340
Ag    0.757331    -1.497749    -1.984090
Ag   -1.676019     0.093062    -1.984192
Ag   -1.254916     2.482336    -0.419992
Ag    1.514762     2.316623     0.721740
Ag    2.777263    -0.153923    -0.419701
Ag    1.248836    -2.469898     0.721686
Ag   -1.522180    -2.327867    -0.419511
Ag   -2.763538     0.153580     0.721860
Ag    -0.970483     1.919615     2.325067
Ag     2.147155    -0.119281     2.325296
Ag    -1.176568    -1.799691     2.325462
Ir    -0.000005     0.000187     0.393206
 H    -0.000040     0.000550     2.047779

14
IrH@Au12
Au    0.910600     1.392767    -1.887610
Au    0.751086    -1.485224    -1.885251
Au   -1.661686     0.092529    -1.886016
Au   -1.279903     2.534337    -0.536406
Au    1.476283     2.258696     0.816920
Au    2.835046    -0.156628    -0.536569
Au   1.217735    -2.407736     0.819012
Au   -1.554839    -2.376224    -0.537011
Au   -2.694123     0.149255     0.818374
Au    -1.072244     2.120183     2.164059
Au     2.372375    -0.131844     2.163806
Au    -1.300623    -1.989123     2.163237
Ir     0.000032     0.000158     0.539343
 H     0.000441     0.001280     2.154382

14
PdH@Ag12
Ag    0.939957     1.437593    -2.035851
Ag    0.774785    -1.532440    -2.035308
Ag   -1.714785     0.095267    -2.035610
Ag   -1.289327     2.550363    -0.399920
Ag    1.559175     2.384450     0.667469
Ag    2.853490    -0.158212    -0.399898
Ag    1.285382    -2.542114     0.668033
Ag   -1.564032    -2.391891    -0.399630
Ag   -2.844441     0.157871     0.667755
Ag    -0.928784     1.836867     2.419621
Ag     2.054706    -0.114502     2.419453
Ag    -1.125781    -1.722336     2.419494
Pd     0.000018     0.000253     0.355980
 H    -0.000183     0.001256     2.058683

14
PdH@Au12
Au   0.383731     0.718443    -3.442730
Au   0.997089    -0.951774    -1.218694
Au  -1.373442     0.621436    -1.263450
Au  -0.864126     2.964095     0.157222
Au   1.489154     2.001182    -1.271939
Au   3.232115     0.143198     0.032520
Au   0.486777    -2.200336     1.262456
Au  -1.564155    -2.290920    -1.117773
Au  -2.035178    -0.597173     1.252388
Au   -1.609362     1.867183     2.643371
Au    2.460307    -0.744014     2.464993
Au   -2.035267    -3.412097     1.315921
Pd     0.442889     0.631324     1.023961
 H    -0.010353     1.251879     2.532022

14
PtH@Ag12
Ag    0.929886     1.422271    -2.029265
Ag    0.766524    -1.516037    -2.028647
Ag   -1.696419     0.094198    -2.028822
Ag   -1.286091     2.543902    -0.421794
Ag    1.542548     2.359197     0.699843
Ag    2.846162    -0.157874    -0.421636
Ag    1.271666    -2.515225     0.700320
Ag   -1.560139    -2.386025    -0.421627
Ag   -2.814234     0.156048     0.700230
Ag    -0.997127     1.971592     2.386818
Ag     2.205625    -0.123188     2.386795
Ag    -1.208639    -1.848747     2.386434
Pt     0.000009     0.000226     0.405224
 H     0.000410     0.002090     2.056397

14
PtH@Au12
Au    1.436788     1.336232    -0.897827
Au    0.756846    -1.477739    -1.370327
Au   -1.559139     0.223208    -1.169390
Au   -0.972599     2.975707    -1.264978
Au    0.427862     3.058170     1.122199
Au    3.370939    -0.491874    -1.658747
Au    0.401392    -2.124272     2.745618
Au   -1.747925    -2.330339    -2.201418
Au   -1.939163    -0.616233     2.901352
Au    -2.139864     1.802654     1.139342
Au     2.477896    -1.119896     0.868589
Au    -1.393996    -2.169558     0.521009
Pt     0.094767     0.180058     1.180070
 H     0.786377     0.756309     2.454779

15
MoH2@Ag12
Ag    0.863240     1.343534    -1.978034
Ag    0.717522    -1.464150    -2.030738
Ag   -1.665920     0.116008    -1.915472
Ag   -1.217468     2.356990    -0.182503
Ag    1.641687     2.340654     0.450700
Ag    2.719830    -0.254455    -0.372577
Ag    1.222056    -2.626894     0.460600
Ag   -1.504086    -2.330955    -0.551995
Ag   -2.763513     0.018677     0.653199
Ag    -0.244117     1.965454     2.464287
Ag     2.161296     0.368551     2.347800
Ag    -1.184489    -2.037577     2.149538
Mo     0.034607    -0.085595     0.486932
 H    -0.970139     0.162768     1.969874
 H     0.751664    -0.982211     1.884959

15
WH2@Ag12
Ag    0.860620     1.342584    -1.980850
Ag    0.714069    -1.460523    -2.034342
Ag   -1.664921     0.117507    -1.916434
Ag   -1.224979     2.351328    -0.172189
Ag    1.640990     2.336565     0.437865
Ag    2.718012    -0.265992    -0.366539
Ag    1.218400    -2.634814     0.447443
Ag   -1.504216    -2.327873    -0.561093
Ag   -2.770072     0.013811     0.643029
Ag    -0.225890     1.985554     2.465174
Ag     2.176073     0.389100     2.346177
Ag    -1.198952    -2.060241     2.135790
 W     0.034292    -0.086634     0.492166
 H    -0.961624     0.164720     1.992343
 H     0.750369    -0.974293     1.908028

15
TcH2@Ag12
Ag    0.870597     1.340907    -1.981437
Ag    0.736412    -1.476863    -2.031968
Ag   -1.671601     0.118918    -1.924861
Ag   -1.207643     2.358494    -0.191544
Ag    1.645094     2.345634     0.475126
Ag    2.721522    -0.246009    -0.364729
Ag    1.216160    -2.645539     0.483487
Ag   -1.503519    -2.336302    -0.541302
Ag   -2.779148     0.004000     0.660421
Ag    -0.264013     1.975291     2.487543
Ag     2.166734     0.363630     2.381596
Ag    -1.193988    -2.050132     2.183151
Tc     0.031990    -0.089168     0.494550
 H    -0.935937     0.166369     1.891048
 H     0.729509    -0.938432     1.815489

15
ReH2@Ag12
Ag    0.868628     1.339406    -1.984024
Ag    0.734182    -1.473189    -2.036830
Ag   -1.670041     0.122068    -1.929716
Ag   -1.218780     2.351814    -0.178019
Ag    1.642903     2.340324     0.458205
Ag    2.720498    -0.261009    -0.355723
Ag    1.211271    -2.657993     0.464698
Ag   -1.502381    -2.330239    -0.555203
Ag   -2.789933    -0.002574     0.643739
Ag    -0.238278     2.006348     2.490520
Ag     2.188012     0.393120     2.381548
Ag    -1.219460    -2.082775     2.164285
Re     0.030865    -0.091398     0.501071
 H    -0.922753     0.168686     1.924551
 H     0.727437    -0.931788     1.847466

15
RuH2@Ag12
Ag     0.951294     1.299627    -2.039239
Ag    0.552569    -1.687866    -2.087634
Ag   -1.671472     0.097382    -2.042445
Ag   -1.233573     2.398732    -0.423105
Ag    1.385925     2.522237     0.610317
Ag    3.019006     0.360125    -0.212789
Ag    0.727522    -2.976743     0.666039
Ag   -1.763361    -2.223053    -0.362782
Ag   -2.752741     0.255231     0.678642
Ag    -0.791133     1.556196     2.347483
Ag     1.925342     0.520328     2.540313
Ag    -1.230874    -1.424486     2.411094
Ru     0.191005    -0.154294     0.291065
 H     0.770923    -0.904935     1.657271
 H     1.518189    -1.014695    -0.222174

15
OsH2@Ag12
Ag    0.880252     1.344909    -2.004374
Ag    0.752019    -1.490652    -2.055964
Ag   -1.686613     0.129626    -1.953081
Ag   -1.208399     2.370113    -0.202404
Ag    1.656241     2.353520     0.490026
Ag    2.734408    -0.254345    -0.363562
Ag    1.208874    -2.701326     0.474806
Ag   -1.511997    -2.343451    -0.536709
Ag   -2.828405    -0.013708     0.648485
Ag    -0.262223     2.031996     2.529407
Ag     2.212332     0.386489     2.429154
Ag    -1.228003    -2.104165     2.222431
Os     0.028197    -0.095168     0.508762
 H    -0.923267     0.189986     1.860322
 H     0.738753    -0.913023     1.789270

15
RhH2@Ag12
Ag    0.938607     1.402703    -2.059236
Ag    0.772163    -1.490223    -2.149938
Ag   -1.697783     0.158498    -1.863600
Ag   -1.050150     2.547104    -0.273299
Ag    1.773602     2.315135     0.596581
Ag    2.769969    -0.268685    -0.401119
Ag    1.321868    -2.691227     0.441000
Ag   -1.469088    -2.452231    -0.524928
Ag   -2.922782    -0.293203     0.813351
Ag    -0.276085     2.015378     2.606750
Ag     2.170891     0.120603     2.491012
Ag    -1.009656    -2.213824     2.314101
Rh     0.001967    -0.075307     0.498769
 H    -1.208541     0.593481     1.413912
 H     0.447187    -0.777402     1.933212

15
IrH2@Ag12
Ag    0.924220     1.379167    -2.077164
Ag    0.803969    -1.518138    -1.954300
Ag   -1.687191     0.149668    -2.047063
Ag   -1.241848     2.392227    -0.264460
Ag    1.578057     2.417344     0.552272
Ag    2.824746    -0.069025    -0.410290
Ag    0.969103    -2.944828     0.618663
Ag   -1.623705    -2.319755    -0.519800
Ag   -2.852033     0.109235     0.617385
Ag    -0.473797     1.987881     2.551849
Ag     2.221109     0.482372     2.554659
Ag    -1.445953    -2.029296     2.316958
Ir     0.055943    -0.114398     0.506409
 H    -0.636809    -0.045565     2.003322
 H     1.146360    -0.986089     1.388128

16
MoH3@Ag12_A
Mo     0.136248    -0.216256     0.050397
Ag    -2.741272     0.127968    -0.527163
Ag    -1.377460     2.446070     0.354151
Ag     0.659180     1.841207     2.180635
Ag    -1.195039    -1.342527    -2.382754
Ag     1.422791    -0.319450    -2.568571
Ag    -0.795406     1.441526    -2.240494
Ag     1.312746     2.358659    -0.551847
Ag     2.810912     0.433897     1.081620
Ag     0.938859    -0.887902     2.754667
Ag    -1.739164     0.315128     2.183342
Ag     0.852182    -2.783933    -1.111244
Ag    -1.744945    -2.465938     0.132448
 H     1.204533    -1.558428     0.436575
 H     1.807629    -0.067468    -0.617081
 H    -0.519909    -1.361603     1.285424

16
MoH3@Ag12_B
Mo    -0.016728     0.052772    -0.167443
Ag     0.769426     1.295108    -2.654250
Ag     1.871709    -1.241871    -1.971372
Ag     2.671140     1.111779    -0.555554
Ag    -2.085711    -1.345377    -1.753920
Ag    -2.176990    -1.665249     1.000142
Ag     0.220225    -2.817733    -0.152159
Ag     2.503508    -1.367815     0.763683
Ag     0.229830    -1.600314     2.432999
Ag     1.494513     0.929224     2.122708
Ag    -0.779549     2.775468     0.675953
Ag    -1.395729     0.688297     2.393481
Ag    -2.746418     0.897597    -0.139200
 H     0.699243     1.714786    -0.066399
 H    -0.809088     1.088202    -1.364511
 H    -0.194527    -0.847359    -1.729491

16
MoH3@Ag12_C
Mo     0.228317     0.204497     0.168496
Ag    -0.166308     0.312851    -2.718330
Ag     2.274063    -0.871302    -1.518965
Ag     1.776424     1.953171    -1.608375
Ag    -2.365005    -0.669950    -1.230470
Ag    -1.458293    -2.246644     0.937418
Ag    -0.093661    -2.328698    -1.542082
Ag     1.431203    -2.366053     0.840390
Ag    -0.069073    -0.774431     2.841385
Ag     2.561044    -0.078239     1.927014
Ag    -0.656409     2.548113     1.697139
Ag    -2.372889     0.379309     1.467142
Ag    -1.708397     2.012040    -0.917685
 H     0.441730     1.965007    -0.123644
 H     0.667382     1.052816     1.690406
 H     1.968219     0.650637     0.169776

16
MoH3@Ag12_D
Mo     0.060165     0.243726    -0.007821
Ag    -0.032318     1.779820    -2.499400
Ag     2.574163    -0.780169    -1.211662
Ag     2.323171     1.947005    -0.963862
Ag    -2.407247    -0.960122    -1.137333
Ag    -1.226465    -2.324742     1.009961
Ag     0.129268    -2.271039    -1.496876
Ag     1.557736    -2.223772     0.969228
Ag     0.130591    -0.577922     2.781757
Ag     2.573908     0.336989     1.455521
Ag    -0.048106     3.167289    -0.036150
Ag    -2.408545     0.157254     1.529530
Ag    -2.349125     1.778269    -0.896763
 H     0.946625     1.391261     1.038707
 H     0.043368    -0.033840    -1.791780
 H    -0.873091     1.327540     1.065361

16
MoH3@Ag12_E
Mo    -0.003418     0.045307     0.106131
Ag    -0.146763     0.977861    -2.645261
Ag     1.515633    -1.252698    -2.115200
Ag     2.380146     1.199868    -0.982415
Ag    -2.454368    -0.321313    -1.324187
Ag    -1.980403    -1.908604     1.066565
Ag     0.440280    -2.888463    -0.027680
Ag     2.691054    -1.277753     0.431535
Ag     0.651651    -1.487052     2.437952
Ag     2.132737     0.972823     1.926691
Ag    -0.313786     2.482924     1.621679
Ag    -2.581920     0.796498     1.322419
Ag    -1.718829     2.366613    -0.829283
 H     0.573092     1.724813    -0.264185
 H    -0.586137    -1.140824    -1.119565
 H    -0.474210     0.096504     1.849836

16
MoH3@Au12_B
Mo    -0.048167     0.103790    -0.247629
Au     1.066242     1.222885    -2.700431
Au     1.696012    -1.346410    -1.933437
Au     2.538378     1.226680    -0.370923
Au    -2.277571    -1.197137    -1.780923
Au    -1.996325    -1.706409     0.929596
Au     0.374790    -2.848144    -0.022312
Au     2.575448    -1.354022     0.727750
Au     0.239896    -1.700755     2.572255
Au     1.580576     0.770554     2.184992
Au    -0.938472     2.824909     0.651534
Au    -1.210642     0.656388     2.358081
Au    -2.755105     0.893726    -0.065400
 H     0.426465     1.892885    -0.084615
 H    -0.518967     1.094985    -1.622330
 H    -0.497704    -0.866410    -1.761543

16
MoH3@Au12_C
Mo     0.322589     0.324931     0.216449
Au    -0.301497     0.372980    -2.590888
Au     2.152361    -0.870127    -1.617483
Au     1.883564     1.853318    -1.803554
Au    -2.434034    -0.771249    -1.253262
Au    -1.520086    -2.343687     0.885150
Au    -0.180293    -2.413790    -1.581522
Au     1.433977    -2.290616     0.660969
Au    -0.035528    -0.901290     2.766824
Au     2.543981    -0.232742     2.115778
Au    -0.876371     2.639314     1.650136
Au    -2.239161     0.249639     1.522950
Au    -1.797991     1.919582    -0.831452
 H     0.928722     1.946441    -0.244222
 H     0.569232     1.522804     1.525132
 H     2.008880     0.737617     0.658609

  16
WH3@Ag12_A
 W     0.131560    -0.221065     0.057480
Ag    -2.727596     0.106817    -0.504542
Ag    -1.385764     2.431444     0.369672
Ag     0.686520     1.854407     2.154378
Ag    -1.177972    -1.318749    -2.396460
Ag     1.422915    -0.253134    -2.561992
Ag    -0.821051     1.457040    -2.238395
Ag     1.297629     2.358171    -0.586990
Ag     2.840947     0.492752     1.034328
Ag     1.009812    -0.863030     2.735198
Ag    -1.698707     0.339178     2.237166
Ag     0.873935    -2.760929    -1.146977
Ag    -1.734031    -2.515464     0.065534
 H     1.124692    -1.612532     0.540019
 H     1.835834    -0.211873    -0.575770
 H    -0.646836    -1.322083     1.277458

16
WH3@Ag12_B
 W    -0.022653     0.054445    -0.171945
Ag     0.816149     1.291425    -2.664173
Ag     1.891296    -1.236474    -1.962900
Ag     2.676422     1.109459    -0.538155
Ag    -2.143957    -1.291332    -1.761309
Ag    -2.158859    -1.668793     0.985275
Ag     0.246632    -2.823269    -0.146354
Ag     2.509357    -1.366609     0.769011
Ag     0.231405    -1.607920     2.432044
Ag     1.503820     0.919471     2.126817
Ag    -0.812371     2.787643     0.683330
Ag    -1.375916     0.681664     2.396426
Ag    -2.762275     0.906895    -0.102739
 H     0.671480     1.737382    -0.088371
 H    -0.804477     1.072043    -1.408999
 H    -0.211198    -0.898515    -1.713292

16
WH3@Ag12_C
 W     0.001193     0.010076    -0.454950
Ag    -0.662577     2.646321     0.542320
Ag    -2.779604     0.729195    -0.288484
Ag    -1.158667     2.138422    -2.145266
Ag     1.147347     1.189407     2.152933
Ag     0.461361    -1.559769     2.162639
Ag    -1.560482     0.409234     2.174704
Ag    -1.944065    -1.898131     0.583823
Ag     0.736506    -2.751680    -0.335341
Ag    -1.366485    -2.025801    -2.114308
Ag     2.442271    -0.170818    -2.132235
Ag     2.627006    -0.737939     0.565401
Ag     2.055327     2.012600    -0.333487
 H     0.542058     1.108331    -1.780739
 H     0.636590    -0.934962    -1.851369
 H    -1.157345    -0.050078    -1.839641

16
WH3@Ag12_D
 W     0.031480    -0.116696     0.000167
Ag    -2.837649     0.388427    -0.136895
Ag    -1.278727     2.532897     0.730335
Ag     0.941829     1.759620     2.216996
Ag    -1.531895    -0.878832    -2.426903
Ag     1.251804    -1.271454    -2.420728
Ag    -1.107666     1.795700    -1.968718
Ag     1.279494     2.491548    -0.507260
Ag     2.872868     0.412270     0.696344
Ag     1.154711    -1.003604     2.536255
Ag    -1.470706     0.301355     2.459106
Ag     2.200340    -2.171281     0.064898
Ag    -0.383907    -2.907419    -0.826802
 H    -0.029281    -1.593377     1.034989
 H     1.108720     0.382625    -1.372781
 H    -1.497222    -1.069435     0.070363
16
WH3@Ag12_E
 W    -0.000236     0.049592     0.105774
Ag    -0.156059     0.954495    -2.675297
Ag     1.492701    -1.287566    -2.112731
Ag     2.388365     1.169199    -1.027962
Ag    -2.455995    -0.278181    -1.342420
Ag    -1.987069    -1.877212     1.068603
Ag     0.443618    -2.903554     0.015753
Ag     2.684318    -1.273334     0.421877
Ag     0.681380    -1.468597     2.446177
Ag     2.157625     1.001307     1.887256
Ag    -0.363059     2.428467     1.726240
Ag    -2.644196     0.813221     1.275503
Ag    -1.628426     2.387117    -0.806200
 H     0.581151     1.728954    -0.287700
 H    -0.602120    -1.161990    -1.103996
 H    -0.467241     0.104586     1.864159

16
WH3@Au12_A
 W     0.140833    -0.250309     0.064144
Au    -2.703870     0.122229    -0.416854
Au    -1.414680     2.539241     0.300856
Au     0.649282     1.883927     2.070758
Au    -1.243380    -1.252704    -2.333343
Au     1.487640    -0.223443    -2.406195
Au    -0.838419     1.466061    -2.236337
Au     1.266631     2.315575    -0.620370
Au     2.744374     0.344096     1.046436
Au     0.714647    -0.863145     2.749065
Au    -1.766468     0.457114     2.169495
Au     0.806184    -2.761029    -1.234980
Au    -1.643931    -2.448337     0.261278
 H     1.222019    -1.670365     0.275191
 H     2.023838    -0.083932    -0.612387
 H    -0.412811    -1.614029     1.383350

16
WH3@Au12_C
 W     0.001995     0.008819    -0.595663
Au    -0.511069     2.580592     0.559871
Au    -2.692114     0.832938    -0.221602
Au    -1.263955     2.270675    -2.068147
Au     1.132246     1.173592     2.273563
Au     0.468558    -1.551662     2.287420
Au    -1.560984     0.389799     2.305728
Au    -1.958911    -1.723803     0.573547
Au     0.637562    -2.737864    -0.247870
Au    -1.349150    -2.210977    -2.063446
Au     2.584919    -0.044754    -2.084281
Au     2.491833    -0.830241     0.549603
Au     2.063369     1.933998    -0.258960
 H     0.166981     1.084855    -2.036782
 H     0.838810    -0.679992    -2.040022
 H    -1.029658    -0.381566    -2.026960

16
TcH3@Ag12_A
Tc    -0.010933     0.361284     0.144202
Ag     2.990306    -0.236812    -0.057782
Ag     1.359855    -1.409125     1.990960
Ag    -1.865988     0.011949     2.449598
Ag     1.352992    -0.055344    -2.392108
Ag    -1.129201    -1.394428    -1.977200
Ag     1.238796    -2.389810    -0.702763
Ag    -1.167783    -2.248704     0.820030
Ag    -2.980615    -0.250008    -0.147146
Ag    -2.148583     2.319128     0.711233
Ag     2.011958     1.480038     1.960197
Ag    -1.676121     1.431008    -2.043250
Ag     2.023096     2.323510    -0.777125
 H    -0.143633     1.911891     0.757994
 H     0.072923     0.461470     1.854885
 H     0.104274     1.609914    -1.033823

16
TcH3@Ag12_B
Tc    -0.057022    -0.151272    -0.091962
Ag    -0.414818     1.941273    -2.239872
Ag     1.304808    -0.350536    -2.597218
Ag     2.076735     1.815965    -0.838961
Ag    -1.585237    -0.567897    -2.643023
Ag    -2.490306    -1.171088     1.202260
Ag    -0.441404    -3.016398     0.375298
Ag     2.868406    -0.789575    -0.197340
Ag     0.003258    -1.280026     2.618891
Ag     1.476197     1.205334     1.941863
Ag    -0.215838     2.945616     0.416371
Ag    -1.383813     1.190911     2.339271
Ag    -2.503177     1.361783    -0.312474
 H     1.155957    -0.967504     0.822743
 H     0.388645    -1.556621    -0.906221
 H    -1.465479    -0.944294    -0.691297

16
TcH3@Ag12_C
Tc    -0.195862     0.076872    -0.223555
Ag     0.610111     1.562448    -2.696006
Ag     1.650176    -1.081003    -2.083584
Ag     2.421734     1.343335    -0.564316
Ag    -1.807649    -1.815743    -1.902356
Ag    -2.209073    -1.578667     0.972661
Ag     0.192393    -2.831665    -0.218994
Ag     2.464669    -1.308691     0.606692
Ag     0.232114    -1.552423     2.381607
Ag     1.613069     0.941797     2.148198
Ag     0.143935     2.795392     0.623668
Ag    -1.280160     0.867322     2.371206
Ag    -2.566170     1.889373     0.089196
 H    -0.509109    -0.286913    -1.861616
 H    -1.877287     0.093090    -0.518284
 H    -0.613295     1.492939    -1.082497

16
TcH3@Ag12_D
Tc     0.031289    -0.118142    -0.002869
Ag    -2.874023     0.377168    -0.150102
Ag    -1.297683     2.549253     0.734425
Ag     0.939272     1.769611     2.237183
Ag    -1.541493    -0.894465    -2.439418
Ag     1.279485    -1.257387    -2.437110
Ag    -1.110407     1.814619    -1.985224
Ag     1.295377     2.477238    -0.539405
Ag     2.885845     0.409859     0.703134
Ag     1.160743    -1.024540     2.579150
Ag    -1.490862     0.264236     2.451462
Ag     2.175247    -2.210851     0.093019
Ag    -0.405026    -2.942268    -0.836979
 H    -0.003003    -1.492789     1.010613
 H     1.084727     0.341694    -1.301867
 H    -1.425295    -1.010893     0.033351

16
TcH3@Ag12_E
Tc     0.044536    -0.025963     0.111929
Ag    -0.333077     1.111400    -2.473666
Ag     1.642124    -1.047952    -2.122185
Ag     2.602277     1.246354    -0.638230
Ag    -2.489524    -0.304065    -1.199783
Ag    -1.997920    -1.938945     1.110116
Ag     0.413784    -2.926201    -0.188485
Ag     2.670891    -1.335881     0.530906
Ag     0.587420    -1.731634     2.440989
Ag     1.928387     0.893595     2.157955
Ag    -0.109374     2.678557     0.996509
Ag    -2.317323     0.893744     1.450592
Ag    -2.323640     2.524330    -0.887925
 H     0.613549     1.472990    -0.599434
 H    -0.493136    -1.200073    -1.027333
 H    -0.314215     0.076248     1.793079

16
TcH3@Au12_C
Tc    -0.316288     0.128705    -0.368332
Au     0.885889     1.521484    -2.804781
Au     1.740930    -0.964369    -1.982831
Au     2.253530     1.406471    -0.400645
Au    -1.933701    -2.056588    -1.756187
Au    -2.065910    -1.657491     0.965522
Au     0.340562    -2.664529    -0.299329
Au     2.562115    -1.317873     0.725323
Au     0.355334    -1.611431     2.469021
Au     1.684428     0.877157     2.280360
Au     0.093160     2.694786     0.763954
Au    -1.274203     0.647440     2.287464
Au    -2.554337     2.092924     0.302989
 H    -1.083893    -0.436439    -1.798167
 H    -1.906710     0.696843    -0.686458
 H    -0.511310     1.250372    -1.655886

16
TcH3@Au12_E
Tc     0.020535    -0.035603     0.265367
Au    -0.117953     0.989399    -2.333553
Au     1.854520    -1.079328    -2.162820
Au     2.327422     1.304156    -0.779679
Au    -2.393498    -0.398983    -1.229160
Au    -1.893617    -1.972644     1.224609
Au     0.247427    -2.780573    -0.523988
Au     2.451541    -1.439151     0.564738
Au     0.541961    -1.437259     2.691874
Au     2.166634     0.886990     2.046187
Au    -0.265496     2.613356     1.257292
Au    -2.439017     0.781696     1.407139
Au    -2.097587     2.387647    -0.920602
 H     0.691618     1.756820     0.004516
 H    -0.682294    -1.229402    -0.945065
 H    -0.317438     0.009382     1.998180

16
ReH3@Ag12_A
Re    -0.052568    -0.111970     0.304779
Ag    -2.834158    -0.002801    -0.827068
Ag    -1.626707     2.345099     0.245394
Ag     1.275115     1.777109     2.194159
Ag    -0.785959    -1.505966    -2.138616
Ag     1.637920     0.005236    -2.168223
Ag    -0.868738     1.366739    -2.338335
Ag     1.136902     2.429809    -0.611801
Ag     2.904573     0.409588     0.337113
Ag     1.777723    -1.113553     2.417906
Ag    -2.497681    -0.005335     1.966307
Ag     1.965341    -2.180171    -0.337224
Ag    -2.028474    -2.379832     0.437010
 H    -0.171549    -0.927058     1.789276
 H    -0.516221     0.892009     1.644090
 H    -0.014218    -1.844821     0.195050

16
ReH3@Ag12_B
Re    -0.025111     0.063474    -0.183579
Ag     0.848241     1.312243    -2.720863
Ag     1.913278    -1.238579    -1.982434
Ag     2.699777     1.116081    -0.553083
Ag    -2.178173    -1.351045    -1.791702
Ag    -2.165619    -1.670428     0.983375
Ag     0.234440    -2.822417    -0.151776
Ag     2.533005    -1.381285     0.778909
Ag     0.249982    -1.635032     2.468176
Ag     1.499290     0.926867     2.129395
Ag    -0.814875     2.852708     0.719463
Ag    -1.377112     0.690179     2.395531
Ag    -2.761858     0.920506    -0.128581
 H     0.609075     1.679502    -0.108854
 H    -0.778286     1.034959    -1.359518
 H    -0.231199    -0.830217    -1.659793

16
ReH3@Ag12_C
Re     0.003377     0.002808    -0.456222
Ag     1.337093     2.372023     0.575807
Ag    -1.478697     2.461777    -0.323460
Ag     0.725207     2.435264    -2.163065
Ag     1.647799     0.057530     2.199182
Ag    -0.775219    -1.456468     2.195876
Ag    -0.872245     1.394149     2.204643
Ag    -2.722263    -0.029494     0.574728
Ag    -1.389112    -2.503693    -0.343767
Ag    -2.464759    -0.559551    -2.166150
Ag     1.726257    -1.867380    -2.160084
Ag     1.386537    -2.346188     0.579655
Ag     2.872708     0.037451    -0.332419
 H     1.037448     0.470334    -1.746281
 H    -0.099537    -1.097326    -1.771561
 H    -0.895271     0.658711    -1.765605

16
ReH3@Ag12_D
Re    -0.046697    -0.080198     0.038194
Ag    -0.736137     1.585267    -2.308207
Ag     2.397525    -0.830702    -1.309322
Ag     1.846950     1.973591    -1.000505
Ag    -1.899674    -1.129354    -2.019750
Ag    -2.513926    -1.527692     0.766752
Ag     0.281303    -2.754496    -0.959232
Ag     2.318566    -2.410525     1.045570
Ag     0.442706    -1.000310     2.719092
Ag     2.508937     0.407854     1.304507
Ag    -0.650592     2.797685     0.301350
Ag    -1.774712     0.849647     2.243766
Ag    -2.767652     1.036358    -0.403313
 H     0.335605    -0.165434    -1.655114
 H     0.437701     1.162816     1.151093
 H    -0.482396    -1.599435     0.799200

16
ReH3@Ag12_E
Re    -0.091841     0.054808     0.017977
Ag    -0.318999     0.428799    -2.981479
Ag     1.982411    -0.780103    -1.902660
Ag     1.416295     2.077932    -1.419481
Ag    -2.634701    -0.194062    -1.426871
Ag    -2.191626    -1.821021     0.934700
Ag     0.329976    -2.813328    -0.257478
Ag     2.481786    -1.304334     0.861995
Ag     0.167272    -1.776989     2.413573
Ag     1.364188     0.780166     2.559597
Ag     0.025756     2.818593     1.068497
Ag    -1.484539     0.567099     2.524168
Ag    -1.433250     2.398620    -1.303282
 H     1.491036     0.743328     0.222134
 H    -0.468409    -1.151276    -1.177478
 H    -1.564883     0.853353     0.481345

16
ReH3@Au12_C
Re     0.003979     0.002438    -0.572737
Au     1.420592     2.202390     0.560602
Au    -1.348984     2.446712    -0.286325
Au     0.723272     2.678094    -2.063628
Au     1.626002     0.053160     2.315904
Au    -0.767963    -1.442873     2.311323
Au    -0.864617     1.379546     2.320904
Au    -2.613036     0.128172     0.553273
Au    -1.437813    -2.391773    -0.299127
Au    -2.671805    -0.706811    -2.071684
Au     1.959101    -1.956365    -2.070304
Au     1.198503    -2.329939     0.552184
Au     2.796549    -0.048822    -0.289609
 H     0.702346     0.775379    -1.951133
 H     0.323808    -0.983287    -1.955156
 H    -1.010611     0.223924    -1.953211
 
16
RuH3@Ag12_B
Ru    -0.045944    -0.092187    -0.007347
Ag    -0.351892     1.989324    -2.207594
Ag     1.268164    -0.431592    -2.540219
Ag     2.194052     1.785774    -0.859344
Ag    -1.753701    -0.466682    -2.551675
Ag    -2.497584    -1.022337     1.401706
Ag    -0.549537    -3.024780     0.504542
Ag     2.948058    -0.843546    -0.062288
Ag     0.043799    -1.222712     2.742717
Ag     1.625156     1.259678     1.951963
Ag    -0.049890     3.118459     0.485906
Ag    -1.247937     1.376589     2.484623
Ag    -2.415871     1.582020    -0.187799
 H     1.127308    -0.939144     0.835797
 H     0.274070    -1.461130    -0.825897
 H    -1.497781    -0.726148    -0.549838

16
OsH3@Ag12_B
Os    -0.051700     0.043875     0.234993
Ag    -0.140759     1.471282    -2.591101
Ag     1.494444    -0.935214    -2.491652
Ag     2.243448     1.412168    -0.947138
Ag    -1.382600    -1.099481    -2.102286
Ag    -1.992425    -2.363504     0.972365
Ag     0.364253    -2.811280    -0.552883
Ag     2.658044    -1.223288     0.176292
Ag     0.676026    -1.911784     2.206368
Ag     2.275495     0.592059     2.329410
Ag    -0.179470     2.992431    -0.119899
Ag    -1.876525     1.884286     1.965912
Ag    -2.458214     1.413331    -0.845007
 H     0.727617     1.266198     1.095138
 H    -1.675843    -0.398164     0.328045
 H    -0.557029     0.053586     1.796478

13
MoH@Ag11
Ag    0.907886     1.388283    -2.054432
Ag    0.755508    -1.479765    -1.928792
Ag   -1.658565     0.098914    -1.928849
Ag   -1.162129     2.488294    -0.389765
Ag    1.560918     2.387404     0.558359
Ag    2.745351    -0.066822    -0.389682
Ag    1.334291    -2.291605     0.773505
Ag   -1.430887    -2.188150    -0.192352
Ag   -2.634511     0.303309     0.773547
Ag    -0.613685     1.741639     2.336196
Ag     1.841377     0.136704     2.336198
Mo     0.043404     0.066612     0.277304
 H    -0.490575    -0.749318     1.718218

13
MoH@Au11
Au    0.000386    -0.598375     2.440431
Au    1.388138     1.816877     1.237847
Au  -1.389949     1.814591     1.240962
Au   -2.337607    -0.799477     1.038103
Au    0.001918    -2.646957     0.359077
Au    2.339122    -0.795844     1.040585
Au    2.286717     1.037336    -1.427212
Au   -0.003449     2.609064    -1.198359
Au   -2.289158     1.032739    -1.426042
Au    -1.853545    -1.730316    -1.536513
Au     1.857160    -1.727308    -1.536201
Mo     0.000497    -0.023860    -0.384649
 H     0.000253    -0.204763    -2.088874

13
WH@Ag11
Ag     0.907467     1.387846    -2.055247
Ag     0.756475    -1.478685    -1.930665
Ag    -1.658004     0.100158    -1.930755
Ag    -1.161039     2.489633    -0.392678
Ag     1.561100     2.387707     0.558037
Ag     2.746126    -0.065188    -0.392526
Ag     1.341965    -2.296827     0.769069
Ag    -1.433773    -2.192559    -0.200237
Ag    -2.642395     0.308413     0.768954
Ag    -0.613076     1.751056     2.337547
Ag     1.849705     0.140828     2.337634
 W     0.041306     0.063397     0.282786
 H    -0.497473    -0.760280     1.737536

13
WH@Au11
Au     0.983239     1.505023    -1.966919
Au     0.732406    -1.438775    -1.960680
Au    -1.611296     0.093509    -1.961127
Au    -1.172677     2.467642    -0.523854
Au     1.526920     2.334820     0.752154
Au     2.730655    -0.084275    -0.524132
Au     1.214720    -2.357880     0.792797
Au    -1.429835    -2.186184    -0.119547
Au    -2.647524     0.167513     0.792245
Au    -0.843054     1.849829     2.196032
Au     2.032678    -0.030901     2.196060
 W     0.037140     0.056883     0.312942
 H    -0.354989    -0.541705     1.903486

13
TcH@Ag11
Ag     0.913894     1.395051    -2.053058
Ag     0.755036    -1.474634    -1.921872
Ag    -1.653733     0.102430    -1.921846
Ag    -1.162281     2.480750    -0.378394
Ag     1.553477     2.378950     0.569558
Ag     2.738782    -0.069657    -0.377227
Ag     1.322888    -2.289186     0.775975
Ag    -1.428864    -2.181365    -0.187963
Ag    -2.627097     0.294922     0.776893
Ag    -0.618436     1.723631     2.337914
Ag     1.826913     0.127835     2.338631
Tc     0.044157     0.066905     0.274952
 H    -0.466354    -0.720132     1.655893

13
TcH@Au11
Au     0.912441     1.394455    -2.060784
Au     0.754124    -1.449097    -1.922758
Au    -1.630421     0.110418    -1.922549
Au    -1.140986     2.471282    -0.398369
Au     1.549133     2.370033     0.542059
Au     2.721689    -0.054139    -0.397706
Au     1.337743    -2.292452     0.766493
Au    -1.430953    -2.187896    -0.198175
Au    -2.636478     0.306443     0.767165
Au    -0.613550     1.742753     2.335243
Au     1.841671     0.137198     2.335808
Tc     0.018463     0.027944     0.343620
 H    -0.484496    -0.741443     1.699407

13
ReH@Ag11
Ag     0.911760     1.394475    -2.056870
Ag     0.755207    -1.475043    -1.923616
Ag    -1.654157     0.100386    -1.923724
Ag    -1.159753     2.483173    -0.383734
Ag     1.556303     2.380361     0.566427
Ag     2.739681    -0.066581    -0.383559
Ag     1.334843    -2.295329     0.771449
Ag    -1.432167    -2.189986    -0.195475
Ag    -2.638192     0.302582     0.771340
Ag    -0.616619     1.738546     2.340339
Ag     1.839579     0.132536     2.340439
Re     0.041057     0.063013     0.282796
 H    -0.479160    -0.732636     1.683645

13
ReH@Au11
Au     0.912641     1.396477    -2.068788
Au     0.755302    -1.446193    -1.924650
Au    -1.627851     0.111600    -1.924648
Au    -1.136345     2.471533    -0.407132
Au     1.549875     2.370006     0.534423
Au     2.719617    -0.049795    -0.407297
Au     1.342033    -2.293937     0.766766
Au    -1.431800    -2.190394    -0.199332
Au    -2.639910     0.309506     0.766267
Au    -0.613866     1.749992     2.334417
Au     1.848964     0.139197     2.334533
Re     0.015462     0.023943     0.352561
 H    -0.495741    -0.756439     1.732337

13
RuH@Ag11
Ag     0.916761     1.402131    -2.057738
Ag     0.757203    -1.478036    -1.923606
Ag    -1.657720     0.101053    -1.923699
Ag    -1.164421     2.485701    -0.374619
Ag     1.556440     2.380578     0.581554
Ag     2.743888    -0.069845    -0.374429
Ag     1.325804    -2.297469     0.779025
Ag    -1.432153    -2.189962    -0.190195
Ag    -2.636493     0.293414     0.778886
Ag    -0.622038     1.721706     2.350112
Ag     1.826343     0.120899     2.350274
Ru     0.041992     0.064491     0.279413
 H    -0.457224    -0.699164     1.614481

13
RuH@Au11
Au     0.957262     1.463108    -2.093449
Au     0.788428    -1.560680    -2.092833
Au    -1.746012     0.097475    -2.092868
Au    -1.312550     2.594643    -0.418125
Au     1.583495     2.420766     0.687979
Au     2.903233    -0.160085    -0.417804
Au     1.304725    -2.581464     0.688038
Au    -1.590428    -2.434065    -0.417561
Au    -2.888178     0.160956     0.688145
Au    -0.988750     1.954798     2.481513
Au     2.186927    -0.122212     2.481650
Ru     0.000048     0.000256     0.370813
 H     0.000182     0.002002     2.023959

13
OsH@Ag11
Ag     0.916768     1.402142    -2.061347
Ag     0.757353    -1.478801    -1.926971
Ag    -1.658471     0.100857    -1.927070
Ag    -1.164056     2.488269    -0.379057
Ag     1.558663     2.383960     0.575947
Ag     2.746093    -0.068467    -0.378897
Ag     1.339561    -2.307963     0.772657
Ag    -1.439056    -2.200595    -0.200129
Ag    -2.651643     0.301806     0.772509
Ag    -0.622186     1.741553     2.353044
Ag     1.844655     0.128637     2.353133
Os     0.038500     0.059113     0.288727
 H    -0.467799    -0.715014     1.646910

13
OsH@Au11
Au     0.719479     1.098804    -2.792451
Au     0.968900    -1.451230    -1.670994
Au    -1.715699     0.304525    -1.672299
Au    -0.370024     2.533131    -0.660102
Au     1.463856     2.239766     1.453456
Au     2.470835     0.675610    -0.656002
Au     0.985859    -2.521053     0.923159
Au    -1.434944    -2.194895    -0.404147
Au    -2.705906    -0.106379     0.921594
Au    -1.264892     2.020233     1.940619
Au     2.355636    -0.345664     1.946067
Os     0.015924     0.024682     0.525595
 H    -0.290642    -0.442033     2.034960

13
RhH@Ag11
Ag     0.921762     1.409070    -2.065569
Ag     0.763190    -1.493419    -1.942675
Ag    -1.674831     0.101414    -1.942492
Ag    -1.177062     2.507490    -0.376005
Ag     1.568709     2.399871     0.592497
Ag     2.768697    -0.072959    -0.375168
Ag     1.338586    -2.322125     0.782148
Ag    -1.447152    -2.211793    -0.195342
Ag    -2.664251     0.295419     0.782195
Ag    -0.632444     1.735347     2.371673
Ag     1.842178     0.118821     2.372440
Rh     0.039530     0.060688     0.285196
 H    -0.448530    -0.692327     1.600558

13
RhH@Au11
Au     0.749383     1.144074    -3.049039
Au     0.833863    -1.325604    -1.666689
Au    -1.547650     0.235358    -1.666817
Au    -0.109261     2.433995    -0.680410
Au     1.384504     2.114665     1.803191
Au     2.273390     0.872510    -0.680935
Au     1.118440    -2.587970     0.765654
Au    -1.478351    -2.257294    -0.153756
Au    -2.819424    -0.008894     0.765143
Au    -1.389200     2.172990     1.745605
Au     2.547114    -0.403989     1.744987
Rh    -0.034870    -0.052661     0.763000
 H    -0.329556    -0.501681     2.199524

13
IrH@Ag11
Ag    0.919785     1.406768    -2.067432
Ag    0.762443    -1.492560    -1.942609
Ag   -1.673118     0.099976    -1.942703
Ag   -1.174861     2.506371    -0.380676
Ag    1.569157     2.399991     0.585821
Ag    2.766979    -0.071096    -0.380527
Ag    1.356637    -2.333764     0.773723
Ag   -1.454719    -2.224609    -0.212076
Ag   -2.682135     0.307117     0.773564
Ag    -0.630037     1.761587     2.374842
Ag     1.866073     0.129425     2.374923
Ir     0.034338     0.052744     0.300654
 H    -0.462160    -0.706453     1.631953

13
IrH@Au11
Au    0.744619     1.142028    -3.050171
Au    0.844602    -1.331858    -1.673731
Au   -1.560148     0.237828    -1.675552
Au   -0.119466     2.445132    -0.688644
Au    1.384686     2.116003     1.796517
Au    2.286840     0.875528    -0.689443
Au    1.111603    -2.583186     0.779836
Au   -1.476332    -2.257877    -0.156161
Au   -2.811266    -0.016798     0.779486
Au    -1.385545     2.164418     1.755379
Au     2.539744    -0.402203     1.752214
Ir    -0.030304    -0.046588     0.744596
 H    -0.330651    -0.506927     2.215132

13
PdH@Ag11
Ag     0.950871     1.454285    -2.089842
Ag     0.758786    -1.525303    -1.996901
Ag    -1.701638     0.083482    -1.997015
Ag    -1.213385     2.526921    -0.393547
Ag     1.575978     2.410507     0.587723
Ag     2.801257    -0.098119    -0.393364
Ag     1.295664    -2.440708     0.700641
Ag    -1.489504    -2.277815    -0.246191
Ag    -2.755672     0.208318     0.700471
Ag    -0.794549     1.666236     2.427817
Ag     1.844688    -0.059513     2.427957
Pd     0.040327     0.061898     0.258475
 H    -0.114441    -0.174692     1.903235

13
PdH@Au11
Au     0.707106     1.070744    -3.516528
Au     1.117065    -0.916216    -1.604112
Au    -1.282409     0.658894    -1.606030
Au    -0.940563     2.688524     0.389947
Au     1.386797     2.128431    -1.105144
Au     2.837938     0.221032     0.384785
Au     0.826657    -2.515316     0.644797
Au    -1.427788    -2.180679    -1.001263
Au    -2.637060    -0.245206     0.640935
Au    -1.462744     1.318203     2.731924
Au     1.797466    -0.808713     2.729692
Pd     0.085907     0.132071     0.752186
 H     0.190011     0.283729     2.448269

13
PtH@Ag11
Ag     0.921157     1.408699    -2.062156
Ag     0.775145    -1.522088    -1.978018
Ag    -1.705319     0.099767    -1.978064
Ag    -1.200149     2.547909    -0.381783
Ag     1.594387     2.438434     0.600487
Ag     2.815089    -0.077722    -0.381652
Ag     1.391337    -2.382389     0.766630
Ag    -1.483440    -2.268353    -0.240342
Ag    -2.740895     0.319611     0.766478
Ag    -0.641819     1.806374     2.408577
Ag     1.911226     0.136956     2.408726
Pt     0.027468     0.042278     0.316752
 H    -0.465803    -0.713978     1.643822

13
PtH@Au11
Au     0.530817     0.998623    -3.522045
Au     1.119184    -0.842758    -1.493509
Au    -1.321223     0.617061    -1.485164
Au    -0.686124     2.690572     0.349001
Au     1.533760     2.152792    -1.277476
Au     2.851976     0.376295     0.435407
Au     0.686061    -2.537752     0.644244
Au    -1.438308    -2.241184    -1.179859
Au    -2.495364    -0.490234     0.768328
Au    -1.705083     1.489807     2.653121
Au     2.061761    -1.119479     2.577825
Pt     0.150535     0.148076     0.925594
 H    -0.089608     0.593678     2.493990

12
PtH@Au10
Au     0.953662     1.346961    -2.034470
Au     0.570485    -1.590583    -2.083409
Au    -1.699010     0.075769    -2.084718
Au    -1.099480     2.406626    -0.391472
Au     2.708559    -0.464750    -0.654400
Au     1.153658    -2.478405     0.685683
Au    -1.575172    -2.291330    -0.402743
Au    -2.718033     0.101529     0.538129
Au    -1.021086     1.451688     2.319500
Au    -0.902138    -1.419901     2.327902
Pt     0.155188     0.047531     0.255958
 H     1.232156     0.747777     1.156023

12
PtH@Ag10
Ag     0.915906     1.336950    -2.103364
Ag     0.715181    -1.573368    -2.091537
Ag    -1.726966     0.055990    -2.105008
Ag    -1.189469     2.402830    -0.420094
Ag     2.712118    -0.231501    -0.364061
Ag     1.156380    -2.529853     0.635383
Ag    -1.579699    -2.317933    -0.431435
Ag    -2.726395     0.157788     0.644796
Ag    -0.674074     1.462241     2.336412
Ag    -0.962728    -1.482832     2.314259
Pt     0.014330    -0.041965     0.142273
 H     1.104205     0.694563     1.074359

