6
AgBF4
F            -3.387311            0.047962            0.935598
Ag           -3.971486           -1.983583           -0.267951
B            -4.838047            0.125357            0.990729
F            -5.296134            1.224854            1.647740
F            -5.265974           -1.125483            1.592444
F            -5.277049            0.056892           -0.392559

116
Au5Ag3P8-2
Au            0.277099           -4.085742            1.130715
Au            0.626709           -4.084494            5.539565
P             2.309327           -3.227255            0.215195
P             1.239036           -6.014300            6.799007
C             3.638435           -4.454856            0.440277
C             0.745371           -7.640318            6.132750
C             2.985072           -1.628650            0.831221
C             3.302174           -1.627477            2.332229
C             0.424000           -5.923116            8.453625
P            -1.516911           -5.613671            1.500159
Au           -3.966229           -2.580981            6.380956
Au            1.479254           -1.432525            5.289214
C             2.142360           -3.010009           -1.585766
C             3.029414           -6.172696            7.119164
C             3.492856           -0.212457            2.904701
C             0.814194           -4.689512            9.281755
C            -1.682131           -6.578519           -0.039925
C            -1.081686           -6.831808            2.788567
C            -3.253502           -5.090791            1.862728
P            -5.585245           -3.782796            5.146333
P             3.401762           -0.164949            4.751347
C             0.060888           -4.542023           10.615312
C            -3.564083           -4.651229            3.300736
P            -1.737073           -4.081141           10.532179
C            -7.176400           -2.920623            4.923193
C            -6.013571           -5.389265            5.898682
C            -5.021994           -4.174164            3.425569
C             4.961616           -0.874384            5.369405
C             3.460444            1.599588            5.202972
C            -2.669742           -5.658554           10.604720
C            -2.062557           -3.322509           12.162533
H             4.568939           -4.106792           -0.041423
H             3.346073           -5.411846           -0.022666
H             3.831603           -4.633376            1.509119
H             1.240128           -7.814052            5.163921
H            -0.345055           -7.686414            5.985757
H             1.045136           -8.445231            6.826073
H             2.232412           -0.859084            0.589625
H             3.881390           -1.393450            0.227728
H             4.202503           -2.235766            2.525392
H             2.470833           -2.117561            2.874880
H             0.665269           -6.855966            8.999427
H            -0.662896           -5.939188            8.250556
H             3.106335           -2.703126           -2.027188
H             1.385318           -2.244828           -1.818725
H             1.831227           -3.958371           -2.054497
H             3.430475           -5.259198            7.584986
H             3.565201           -6.342022            6.171400
H             3.222411           -7.029689            7.788296
H             2.684126            0.454413            2.552581
H             4.446631            0.240516            2.574374
H             0.663322           -3.773441            8.678891
H             1.893388           -4.736736            9.517415
H            -2.029286           -5.933650           -0.864192
H            -2.406001           -7.401352            0.096536
H            -0.709813           -7.010364           -0.327456
H            -0.130582           -7.318512            2.516205
H            -1.858953           -7.610145            2.873250
H            -0.947109           -6.326912            3.757467
H            -3.884429           -5.959071            1.589973
H            -3.505879           -4.290361            1.144107
H             0.542411           -3.735934           11.198699
H             0.150002           -5.457743           11.229991
H            -2.883380           -3.838718            3.618488
H            -3.383447           -5.495260            3.990893
H            -7.631129           -2.723927            5.908296
H            -7.876172           -3.534960            4.330454
H            -7.024460           -1.955549            4.414887
H            -5.121258           -6.027281            5.996459
H            -6.770904           -5.913089            5.288562
H            -6.430715           -5.223110            6.905814
H            -5.177211           -3.259660            2.825504
H            -5.716926           -4.934262            3.019767
H             5.821764           -0.305165            4.974929
H             5.058433           -1.929234            5.068109
H             4.985083           -0.825409            6.470385
H             4.376043            2.068307            4.801139
H             3.470329            1.702940            6.300522
H             2.582794            2.134176            4.807121
H            -2.339991           -6.259766           11.470531
H            -2.530860           -6.251194            9.687789
H            -3.745321           -5.447361           10.720242
H            -1.511793           -2.373925           12.264686
H            -1.757566           -4.004039           12.975597
H            -3.139531           -3.112198           12.267119
Ag           -2.349654           -2.683250            8.653372
Ag           -0.427208           -2.248801            3.440251
Ag           -1.179251           -2.105913            6.149022
Au           -2.841347           -0.237540            7.340054
P            -2.671892            2.105107            6.933196
C            -4.088265            3.162968            7.373130
C            -1.228361            2.876109            7.745063
C            -2.395857            2.323605            5.100315
P            -1.495390           -0.480958            2.049639
C            -1.952928            1.018754            4.414139
C            -3.245632           -0.838872            1.632930
C            -0.773972           -0.025205            0.426710
C            -1.597060            1.155953            2.927519
H            -5.007608            2.806471            6.881016
H            -3.902941            4.211097            7.078119
H            -4.247866            3.129292            8.463962
H            -1.164362            3.944321            7.472860
H            -0.298826            2.365533            7.444987
H            -1.328996            2.796894            8.840119
H            -1.657569            3.134939            4.958079
H            -3.348060            2.679219            4.665743
H            -2.767065            0.280627            4.540614
H            -1.079970            0.592470            4.943074
H            -3.829599           -1.001538            2.552042
H            -3.308773           -1.747298            1.013057
H            -3.692175           -0.001957            1.068320
H            -0.739266           -0.905027           -0.236627
H             0.249325            0.361049            0.555206
H            -1.380722            0.758218           -0.061144
H            -2.345450            1.766748            2.386579
H            -0.624061            1.665148            2.801741

116
Au5Ag3P8
Au           -2.828311            2.336240            4.596914
Au           -5.900353           -0.812597            7.632504
P            -2.458705            4.281341            5.945792
P            -5.007218           -2.597520            8.890486
C            -1.456817            3.929265            7.426557
C            -3.212742           -2.835912            8.674154
C            -3.943466            5.207119            6.515928
C            -4.857947            4.380687            7.427216
C            -5.779395           -4.179698            8.351224
P            -2.425151            0.684085            2.931421
Au           -8.264689           -1.362072            3.018017
Au           -7.130286            1.696342            7.391399
C            -1.497231            5.483529            4.970879
C            -5.264151           -2.466106           10.688093
C            -6.252508            4.999609            7.599301
C            -7.293088           -4.241068            8.603629
C            -0.877228            1.212497            2.118384
C            -2.092231           -1.003512            3.539143
C            -3.628713            0.535209            1.543527
P            -7.374369           -1.269928            0.829385
P            -7.462186            3.839649            8.375908
C            -8.005294           -5.425277            7.932435
C            -4.893472           -0.278928            1.839255
P            -8.196094           -5.341092            6.089006
C            -8.525469           -0.661985           -0.445770
C            -6.801872           -2.891642            0.216721
C            -5.914356           -0.146468            0.699690
C            -6.810147           -6.304431            5.372984
C            -9.646647           -6.408094            5.768367
H            -1.256139            4.863198            7.978268
H            -0.492592            3.486168            7.127407
H            -1.971426            3.219164            8.092032
H            -2.674290           -1.938576            9.019375
H            -2.969572           -3.003605            7.613086
H            -2.863763           -3.701362            9.264279
H            -4.480543            5.520625            5.602852
H            -3.594497            6.131652            7.013217
H            -4.380892            4.235737            8.413253
H            -4.980704            3.372264            6.987679
H            -5.260236           -5.012902            8.861140
H            -5.547663           -4.268758            7.274832
H            -1.274849            6.377353            5.578197
H            -2.059247            5.793802            4.075991
H            -0.542748            5.037426            4.646833
H            -6.328980           -2.320070           10.925673
H            -4.703283           -1.601660           11.078372
H            -4.902429           -3.376054           11.196420
H            -6.674904            5.265027            6.612889
H            -6.219135            5.932328            8.191589
H            -7.767664           -3.298511            8.266430
H            -7.476100           -4.311163            9.690993
H            -1.016884            2.194145            1.637207
H            -0.571646            0.480241            1.349562
H            -0.068134            1.299211            2.861417
H            -1.249962           -0.970179            4.250264
H            -1.811826           -1.666558            2.702519
H            -2.970135           -1.415266            4.059831
H            -3.074775            0.088179            0.696767
H            -3.887585            1.566073            1.239717
H            -9.035534           -5.486036            8.327982
H            -7.521323           -6.385698            8.189502
H            -5.363945            0.061050            2.784706
H            -4.620846           -1.338724            1.991883
H            -9.406186           -1.322436           -0.498140
H            -8.034968           -0.650108           -1.433967
H            -8.866675            0.355981           -0.200334
H            -6.021550           -3.309568            0.872515
H            -6.402823           -2.795499           -0.807200
H            -7.646732           -3.599272            0.198042
H            -6.305955            0.885711            0.657977
H            -5.437463           -0.341189           -0.280726
H            -6.794433           -7.321117            5.801178
H            -5.838383           -5.824155            5.565659
H            -6.942144           -6.388200            4.281964
H           -10.553942           -5.958959            6.201972
H            -9.496646           -7.408205            6.210477
H            -9.797173           -6.522887            4.683042
Ag           -8.478918           -3.103032            5.226960
Ag           -5.196242            0.908263            5.479173
Ag           -7.755403           -0.390657            5.585800
Au          -10.393171           -1.082881            4.792418
P           -12.728092           -0.672562            5.009625
C           -13.270723           -0.535446            6.747646
C           -13.198379            0.911326            4.230660
C           -13.777746           -1.984086            4.243628
P           -17.897080           -2.815202            3.419643
C           -15.297412           -1.710488            4.189439
C           -18.522559           -2.110947            4.998837
C           -18.119640           -1.448816            2.210385
C           -16.049562           -2.944114            3.650713
H           -13.065139           -1.474937            7.283951
H           -14.349847           -0.316225            6.808229
H           -12.718381            0.279176            7.243732
H           -14.269436            1.125149            4.380587
H           -12.983813            0.885327            3.149707
H           -12.613192            1.730134            4.680905
H           -13.579900           -2.910725            4.814984
H           -13.388466           -2.162119            3.224264
H           -15.494926           -0.836697            3.543286
H           -15.678697           -1.465940            5.196921
H           -18.331264           -2.808416            5.831424
H           -19.618118           -1.991394            4.923286
H           -18.090141           -1.122841            5.234294
H           -19.200270           -1.300761            2.038164
H           -17.672767           -1.729811            1.242023
H           -17.694381           -0.487092            2.548005
H           -15.636601           -3.243545            2.668158
H           -15.878435           -3.806764            4.322143
C            -9.095044            4.608653            8.132514
H            -9.864311            4.013360            8.649038
H            -9.111336            5.632665            8.540981
H            -9.341171            4.645201            7.060075
C            -7.157848            3.885399           10.172783
H            -7.270856            4.912524           10.557973
H            -7.882272            3.235654           10.689991
H            -6.143992            3.524812           10.406476

116
Au6Ag2P8-1
Au           -0.192388            0.047478            4.024032
Au            0.113642            1.409635            1.119162
P             1.969577            0.358865            4.977550
P             0.139451            3.785247            0.924848
C             2.364958            2.114352            5.287097
C            -0.769282            4.783151            2.154314
C             3.432205           -0.357752            4.117459
C             3.713234            0.303521            2.763087
C            -0.595959            4.315677           -0.694277
Au            0.089036           -1.360498            1.010028
P            -2.545879           -0.292021            4.143206
Au           -0.634610            0.147243           -1.422228
Au            2.141081            0.036496           -0.424174
C             1.975940           -0.422618            6.625086
C             1.827773            4.487629            0.926653
C             4.607206           -0.548533            1.847596
C            -0.036507            3.593793           -1.935688
P             0.055952           -3.707518            0.622155
C            -2.902284           -1.490798            5.470733
C            -3.431564            1.227953            4.628732
C            -3.429246           -0.954142            2.668350
Au           -0.747682            0.283450           -4.476352
P            -3.044112            0.129918           -1.365908
P             4.442155           -0.077690            0.072924
C            -0.953372            3.754758           -3.154625
C             1.727265           -4.443530            0.558871
C            -0.875141           -4.791643            1.758804
C            -0.694218           -4.059524           -1.039370
C            -3.339351           -0.029422            1.448757
P            -0.649884            2.699453           -4.651741
P            -0.624010           -2.114063           -4.841225
C            -3.970501           -0.677063           -2.724560
C            -3.832158            1.779393           -1.272689
C            -3.676985           -0.745866            0.133834
C             5.335863            1.499057           -0.130724
C             5.424319           -1.305622           -0.848673
C            -0.093048           -3.257200           -2.209144
C            -1.822313            3.465414           -5.835059
C             0.989930            3.188442           -5.288463
C             1.051647           -2.543931           -5.425824
C            -1.724457           -2.783995           -6.145604
C            -0.996325           -3.284632           -3.447274
H             3.326626            2.204224            5.822258
H             1.579146            2.567353            5.914785
H             2.421311            2.678319            4.343238
H            -0.357299            4.592875            3.159578
H            -1.835206            4.502518            2.162430
H            -0.682574            5.861982            1.937156
H             3.211525           -1.433097            3.988673
H             4.301207           -0.290851            4.799124
H             4.174962            1.294567            2.919145
H             2.746956            0.476755            2.250165
H            -0.482254            5.413321           -0.778372
H            -1.679597            4.122529           -0.599732
H             2.942733           -0.248549            7.128629
H             1.809712           -1.508784            6.541279
H             1.174592            0.003636            7.250589
H             2.449793            3.995815            0.161349
H             2.297760            4.321342            1.910088
H             1.802977            5.574611            0.731212
H             4.306782           -1.611408            1.898791
H             5.672106           -0.502011            2.143201
H             0.074474            2.517673           -1.709129
H             0.974421            3.973046           -2.167599
H            -2.454474           -2.471846            5.242874
H            -3.991706           -1.613451            5.596919
H            -2.478918           -1.135514            6.424735
H            -3.021688            1.601387            5.581832
H            -4.506333            1.019994            4.772079
H            -3.311202            2.017089            3.870315
H            -4.479484           -1.157378            2.951974
H            -2.958936           -1.930529            2.451792
H            -0.922305            4.794111           -3.535449
H            -2.004536            3.568558           -2.872179
H             2.355997           -3.905119           -0.168457
H             1.678985           -5.510252            0.277231
H             2.203698           -4.366657            1.550381
H            -0.801417           -5.850243            1.453756
H            -1.937506           -4.499087            1.782105
H            -0.467003           -4.690933            2.778232
H            -1.768898           -3.823561           -0.928478
H            -0.631903           -5.149483           -1.222628
H            -2.308157            0.371734            1.385747
H            -4.013313            0.834189            1.585159
H            -3.687631           -0.234322           -3.693784
H            -5.057086           -0.553731           -2.574957
H            -3.746298           -1.754548           -2.754162
H            -3.370312            2.388069           -0.480785
H            -4.912389            1.677566           -1.068006
H            -3.713380            2.307393           -2.231116
H            -3.219372           -1.751230            0.117130
H            -4.768390           -0.883342            0.018063
H             6.387109            1.388205            0.190309
H             4.858034            2.293418            0.464285
H             5.324694            1.804743           -1.189854
H             6.467352           -1.318653           -0.487266
H             5.431030           -1.051602           -1.921755
H             4.992145           -2.312357           -0.729574
H             0.905944           -3.653758           -2.461968
H             0.052637           -2.206832           -1.894252
H            -1.720032            4.565720           -5.813022
H            -2.862876            3.203637           -5.585192
H            -1.603015            3.123669           -6.860939
H             1.785896            2.938747           -4.569328
H             1.006646            4.276764           -5.477503
H             1.196438            2.666966           -6.236774
H             1.805237           -2.337707           -4.649594
H             1.299883           -1.952870           -6.322257
H             1.091859           -3.614786           -5.693298
H            -1.466620           -2.340247           -7.122415
H            -2.781265           -2.569438           -5.920196
H            -1.598541           -3.879140           -6.225515
H            -0.994693           -4.288817           -3.914271
H            -2.044738           -3.084837           -3.164177
Ag            1.680471            0.275667           -3.097644
Ag           -2.020752            0.381912           -6.909664

116
Au6Ag2P8-2
Au           -0.105187           -0.034084            6.753633
Au           -0.551347            1.535431           -0.506390
P             2.237377            0.197455            6.551601
P            -0.625787            3.912432           -0.729713
C             2.811570            1.927641            6.645054
C            -2.031783            4.675510            0.150515
C             3.040235           -0.534511            5.054417
C             2.796200            0.156402            3.700613
C            -0.850426            4.444811           -2.484915
Au           -0.311755           -1.235317           -0.804327
P            -2.393790           -0.320885            7.254989
Au           -2.336341           -0.165937            0.763889
Au            2.167616            0.385959           -0.650584
C             3.070874           -0.655573            7.932133
C             0.845967            4.813151           -0.123884
C             3.629193           -0.548891            2.615497
C             0.298564            4.014177           -3.408141
P             0.061463           -3.484283           -1.524485
C            -2.635706           -1.370161            8.725268
C            -3.252668            1.244386            7.629786
C            -3.372272           -1.150293            5.930191
Au            1.345779            0.895281           -5.816638
P            -4.348929           -0.470321            1.872718
P             3.852277            0.292836            0.980223
C            -0.055238            4.116840           -4.897411
C             1.693465           -4.189104           -1.097348
C            -1.149234           -4.675611           -0.852549
C            -0.100801           -3.665162           -3.356055
C            -3.390185           -0.425827            4.574323
P             1.144295            3.270377           -6.016166
P             1.512501           -1.383893           -6.527379
C            -5.470116           -1.583674            0.964821
C            -5.278994            1.085818            2.074895
C            -4.213525           -1.220881            3.548280
C             4.494255            1.957841            1.370432
C             5.284569           -0.602531            0.284179
C             0.917016           -2.832315           -4.150248
C             0.571441            3.681514           -7.697398
C             2.738366            4.138957           -5.826115
C             3.236463           -1.982591           -6.552083
C             0.938651           -1.509502           -8.253028
C             0.525961           -2.654228           -5.622893
H             3.912544            1.986044            6.589885
H             2.489382            2.360196            7.607122
H             2.368941            2.535048            5.839786
H            -1.947150            4.469837            1.230078
H            -2.981455            4.246506           -0.209183
H            -2.048784            5.768950           -0.003072
H             2.723062           -1.592544            5.016505
H             4.126192           -0.545649            5.270884
H             3.096591            1.216008            3.774141
H             1.723779            0.142693            3.432836
H            -0.994992            5.541867           -2.505319
H            -1.804344            3.993583           -2.816079
H             4.163729           -0.510788            7.880102
H             2.848923           -1.735454            7.912373
H             2.709597           -0.249420            8.891250
H             1.754861            4.443983           -0.625533
H             0.958395            4.636725            0.958215
H             0.748845            5.899597           -0.295918
H             3.226383           -1.557926            2.412445
H             4.661828           -0.697628            2.987993
H             0.575936            2.966610           -3.178260
H             1.197089            4.619030           -3.193890
H            -2.196330           -2.368036            8.562262
H            -3.709449           -1.481336            8.954680
H            -2.136930           -0.911202            9.594301
H            -2.774649            1.719811            8.502285
H            -4.313953            1.061899            7.873465
H            -3.187381            1.946565            6.783803
H            -4.401350           -1.279634            6.315708
H            -2.948961           -2.165394            5.817926
H            -0.125398            5.172144           -5.221869
H            -1.042619            3.660163           -5.097379
H             2.502308           -3.552167           -1.489817
H             1.803573           -5.211116           -1.501350
H             1.794950           -4.235642           -0.000388
H            -0.954709           -5.694299           -1.231918
H            -2.171285           -4.376966           -1.137218
H            -1.086631           -4.689838            0.248040
H            -1.132642           -3.350635           -3.598269
H            -0.028877           -4.738876           -3.613559
H            -2.356513           -0.288409            4.204553
H            -3.822491            0.583020            4.698679
H            -5.658664           -1.181512           -0.044325
H            -6.435526           -1.677403            1.493449
H            -5.019265           -2.584306            0.862942
H            -4.686788            1.822623            2.640132
H            -6.234502            0.906831            2.598966
H            -5.498263            1.510910            1.081291
H            -3.777399           -2.226774            3.403695
H            -5.247676           -1.374047            3.913964
H             5.351454            1.899477            2.064595
H             3.709513            2.590825            1.814346
H             4.832286            2.438439            0.437253
H             6.148532           -0.560723            0.970897
H             5.574619           -0.150342           -0.677702
H             5.021972           -1.658448            0.106146
H             1.916116           -3.297794           -4.080727
H             1.015879           -1.832569           -3.682224
H             0.518124            4.776005           -7.833129
H            -0.425606            3.247930           -7.880966
H             1.270114            3.268133           -8.442748
H             3.152742            3.993346           -4.815793
H             2.615261            5.219463           -6.015394
H             3.461784            3.742220           -6.557106
H             3.668176           -1.995076           -5.539167
H             3.849846           -1.314979           -7.179224
H             3.283472           -2.998825           -6.980522
H             1.521891           -0.824737           -8.889494
H            -0.124950           -1.230600           -8.328473
H             1.068960           -2.538672           -8.631072
H             0.622745           -3.605102           -6.180099
H            -0.531569           -2.343915           -5.713194
Ag            0.525980            0.476760           -2.947937
Ag            3.175710            0.801302           -3.275386

116
Au6Ag2P8-3
Au            0.072477           -0.450067            7.894443
Au           -0.357439            2.054074           -0.764389
P             2.428568           -0.583502            7.816629
P            -1.138155            4.117641           -1.611136
C             3.274658            0.967402            8.276206
C            -2.542972            4.843210           -0.699210
C             3.112141           -1.072160            6.169280
C             2.771989           -0.146144            4.989180
C            -1.749592            4.021688           -3.353760
Au           -0.220827           -0.721750           -1.161581
P            -2.277420           -0.385322            8.110275
Au            0.621466            0.032785           -3.887508
Au            1.341969            0.487936            0.926659
C             3.086356           -1.844855            8.956882
C             0.146348            5.414581           -1.598614
C             3.473086           -0.639382            3.712840
C            -0.756451            3.438442           -4.367741
P            -1.140003           -2.868084           -1.580499
C            -2.893470           -1.536722            9.382082
C            -2.924214            1.251882            8.590651
C            -3.189267           -0.869576            6.577518
Au           -0.075790            0.052853           -6.713135
P            -3.522480            0.404973            2.539352
P             3.361515            0.426065            2.199194
C            -1.384392            3.307318           -5.760488
C             0.010017           -4.182100           -1.046732
C            -2.689668           -3.211281           -0.671490
C            -1.590451           -3.278090           -3.326788
C            -2.855010           -0.057644            5.316259
P            -0.368676            2.404073           -7.012550
P             0.128310           -2.311017           -6.963832
C            -4.971295           -0.180332            1.579901
C            -3.957013            2.135505            2.955670
C            -3.722691           -0.517359            4.135405
C             3.916481            2.084728            2.729940
C             4.741356           -0.208638            1.176977
C            -0.436678           -3.211479           -4.331301
C            -1.246035            2.705407           -8.585599
C             1.208104            3.308469           -7.160441
C             1.833763           -2.933961           -6.810585
C            -0.433281           -2.812475           -8.625788
C            -0.909764           -3.289247           -5.793957
H             4.370039            0.845388            8.218362
H             3.007511            1.234798            9.312087
H             2.962585            1.799327            7.625111
H            -2.260451            5.016239            0.352243
H            -3.408140            4.161245           -0.724116
H            -2.839154            5.807687           -1.147738
H             2.749866           -2.098302            5.974007
H             4.209131           -1.145832            6.295693
H             3.102496            0.880904            5.221171
H             1.677626           -0.106393            4.839063
H            -2.056360            5.046376           -3.640464
H            -2.671831            3.412278           -3.325000
H             4.187622           -1.887595            8.901831
H             2.672611           -2.837555            8.716587
H             2.795668           -1.593598            9.990321
H             1.027139            5.097945           -2.179352
H             0.467474            5.610516           -0.562510
H            -0.248140            6.352428           -2.027571
H             3.109363           -1.643425            3.430152
H             4.558146           -0.747569            3.905304
H            -0.415836            2.445369           -4.017888
H             0.140735            4.080076           -4.425227
H            -2.600894           -2.571134            9.140687
H            -3.992603           -1.478442            9.460269
H            -2.457226           -1.274557           10.360195
H            -2.493148            1.545689            9.562223
H            -4.022653            1.218239            8.691568
H            -2.645632            2.020184            7.853201
H            -4.268427           -0.795591            6.811425
H            -2.976219           -1.941944            6.414060
H            -1.599173            4.303189           -6.193240
H            -2.351558            2.773850           -5.706273
H             0.970842           -4.093857           -1.577853
H            -0.421335           -5.179781           -1.243007
H             0.204346           -4.087016            0.033576
H            -3.034097           -4.242058           -0.867103
H            -3.477680           -2.508629           -0.985661
H            -2.518971           -3.093739            0.409884
H            -2.386743           -2.565477           -3.610310
H            -2.053968           -4.283306           -3.313542
H            -1.782384           -0.169414            5.072138
H            -3.030172            1.014826            5.510141
H            -5.030298            0.353728            0.617257
H            -5.909390           -0.008067            2.135002
H            -4.879464           -1.258530            1.371304
H            -3.171953            2.604482            3.570388
H            -4.916971            2.180970            3.499429
H            -4.056083            2.722706            2.028593
H            -3.543142           -1.586087            3.915220
H            -4.794406           -0.430659            4.399945
H             4.873068            2.018743            3.278293
H             3.163890            2.569377            3.372126
H             4.070847            2.722759            1.844791
H             5.688645           -0.187384            1.744656
H             4.864819            0.411128            0.274745
H             4.540866           -1.246257            0.864077
H             0.290327           -4.019011           -4.137567
H             0.108914           -2.256745           -4.163282
H            -1.347581            3.789348           -8.768408
H            -2.250109            2.251841           -8.565669
H            -0.683277            2.262715           -9.423748
H             1.813048            3.190617           -6.248514
H             1.024249            4.380631           -7.346966
H             1.786304            2.904213           -8.008454
H             2.243202           -2.707101           -5.813615
H             2.474604           -2.447069           -7.565099
H             1.861463           -4.024327           -6.980708
H             0.168762           -2.307372           -9.399679
H            -1.491800           -2.543237           -8.777739
H            -0.322730           -3.903354           -8.754222
H            -0.931722           -4.333200           -6.156167
H            -1.937627           -2.899691           -5.905225
Ag            2.100571            0.929196           -1.831935
Ag           -1.505000            0.245450            1.188512

116
Au6Ag2P8-4
Au            0.117859           -0.009075            5.217321
Au            0.441053            1.668000           -0.324745
P             1.865780           -1.615104            5.386905
P             0.910615            3.908660           -0.876786
C             2.521628           -1.631410            7.089130
C             0.523657            5.130929            0.421388
C             3.316452           -1.453613            4.264849
C             4.200066           -0.220576            4.500111
C            -0.106342            4.441278           -2.322855
Au            0.674678           -1.086913           -0.316629
P            -1.754571            1.366133            5.725664
Au           -1.874948            0.095803           -0.042736
Au            2.614420            0.469236            1.281746
C             1.246756           -3.307728            5.095967
C             2.646656            4.238619           -1.335862
C             5.308957           -0.090179            3.435374
C             0.108431            3.589770           -3.585441
P             1.591476           -3.194074           -0.850646
C            -2.113672            1.260252            7.508550
C            -1.552359            3.143014            5.371315
C            -3.294550            0.812363            4.879296
Au           -0.771574            0.141918           -5.546295
P            -4.067548            0.149831            0.766537
P             4.843447            0.829756            1.903829
C            -1.096985            3.648439           -4.530391
C             3.352229           -3.148710           -1.332059
C             1.491074           -4.460001            0.459845
C             0.694776           -3.938829           -2.281132
C            -3.236670            0.981982            3.355093
P            -1.013301            2.479052           -5.951417
P            -0.576716           -2.204224           -5.916648
C            -5.133317           -1.194369            0.155012
C            -4.909880            1.693793            0.280164
C            -4.207544            0.062747            2.606306
C             5.147566            2.583902            2.305353
C             6.120043            0.390034            0.678958
C             0.740129           -3.076867           -3.553596
C            -2.543632            2.786001           -6.892266
C             0.344227            3.062748           -7.020387
C             0.869463           -2.533066           -6.978046
C            -2.020729           -2.797749           -6.856770
C            -0.443056           -3.358755           -4.487143
H             3.307784           -2.399329            7.194753
H             1.709931           -1.865209            7.798381
H             2.940050           -0.649831            7.362668
H             1.132082            4.925251            1.316822
H            -0.540099            5.060190            0.701109
H             0.734630            6.157431            0.073851
H             2.904783           -1.448243            3.236567
H             3.916384           -2.376769            4.378465
H             4.689407           -0.299918            5.486165
H             3.582669            0.696955            4.535515
H             0.089661            5.512185           -2.520250
H            -1.155930            4.368924           -1.983823
H             2.045126           -4.047510            5.282105
H             0.885181           -3.413951            4.060621
H             0.409439           -3.522336            5.780681
H             2.959772            3.583558           -2.164700
H             3.297724            4.034161           -0.471278
H             2.779941            5.293289           -1.637524
H             5.668388           -1.087987            3.125870
H             6.186629            0.436204            3.853751
H             0.270925            2.531348           -3.294253
H             1.024966            3.919334           -4.105445
H            -2.335007            0.220106            7.798449
H            -2.982013            1.892578            7.764724
H            -1.245029            1.606059            8.093585
H            -0.696456            3.532023            5.948223
H            -2.455105            3.703466            5.670180
H            -1.352600            3.309387            4.301300
H            -4.149161            1.362385            5.314676
H            -3.430186           -0.250092            5.154734
H            -1.236422            4.663595           -4.948951
H            -2.025034            3.398306           -3.984184
H             3.503222           -2.451222           -2.171780
H             3.703160           -4.152357           -1.628459
H             3.957474           -2.793973           -0.481694
H             1.906888           -5.423177            0.115263
H             0.440657           -4.610647            0.759429
H             2.061844           -4.121383            1.339858
H            -0.348398           -4.067199           -1.937616
H             1.096653           -4.953024           -2.466366
H            -2.207423            0.753376            2.998613
H            -3.419166            2.039231            3.091175
H            -5.181389           -1.153348           -0.945453
H            -6.156067           -1.095898            0.558299
H            -4.721955           -2.172585            0.451126
H            -4.366030            2.570752            0.665276
H            -5.943470            1.709519            0.666701
H            -4.945050            1.763609           -0.819165
H            -4.026005           -0.992468            2.884070
H            -5.258217            0.285740            2.874227
H             6.199613            2.732878            2.608141
H             4.489004            2.910645            3.126214
H             4.942516            3.212172            1.424604
H             7.128504            0.577552            1.089167
H             5.991283            0.995943           -0.232214
H             6.037131           -0.673682            0.404175
H             1.695228           -3.242775           -4.080872
H             0.714829           -2.004321           -3.271450
H            -2.623245            3.853201           -7.163088
H            -3.427605            2.497700           -6.300887
H            -2.539104            2.191170           -7.820669
H             1.321017            2.935424           -6.527683
H             0.200361            4.127200           -7.276899
H             0.355894            2.479849           -7.956457
H             1.805016           -2.219013           -6.487818
H             0.772147           -1.970851           -7.921219
H             0.929586           -3.608583           -7.220441
H            -2.131732           -2.215252           -7.785461
H            -2.942957           -2.682606           -6.265679
H            -1.893032           -3.861022           -7.125577
H            -0.399351           -4.384574           -4.899857
H            -1.397951           -3.278933           -3.935447
Ag           -0.644813            0.154158           -2.598038
Ag            0.025459            0.216194            2.259300

116
Au6Ag2P8
Au            0.065844           -4.174739            1.213048
Au            1.236920           -3.834977            6.478606
P             2.090640           -3.328055            0.270012
P             2.142625           -5.552861            7.807559
C             3.536317           -4.372072            0.653004
C             2.387078           -7.141247            6.943844
C             2.564637           -1.596399            0.675807
C             2.940912           -1.405389            2.149772
C             0.967076           -5.923589            9.178050
P            -1.945129           -5.435632            1.370461
Au           -3.848322           -2.357494            6.532503
Au            1.413108           -1.278744            5.316468
C             1.940180           -3.355564           -1.546950
C             3.753976           -5.173055            8.571035
C             2.931798            0.066429            2.586078
C             0.744162           -4.741883           10.134278
C            -2.243650           -6.136818           -0.288697
C            -1.848027           -6.878145            2.483079
C            -3.520197           -4.556974            1.754517
P            -5.585420           -3.057785            5.111857
P             2.971197            0.265572            4.421075
C            -0.412851           -4.934805           11.127776
C            -3.754146           -4.180710            3.222666
P            -2.135370           -4.761949           10.470525
C            -6.980138           -1.895040            4.951316
C            -6.341628           -4.629523            5.652658
C            -5.039758           -3.350775            3.372136
C             4.680672           -0.072375            4.958108
C             2.712957            2.046109            4.713669
C            -2.684584           -6.419244            9.924620
C            -3.140893           -4.458050           11.960552
H             4.428128           -4.002612            0.117251
H             3.340414           -5.408373            0.331185
H             3.740062           -4.380441            1.735492
H             3.117705           -7.014178            6.128091
H             1.437001           -7.492483            6.510209
H             2.769536           -7.904750            7.642750
H             1.696628           -0.967620            0.404090
H             3.391994           -1.304818            0.001334
H             3.931769           -1.853803            2.344642
H             2.214564           -1.958049            2.778809
H             1.337764           -6.810739            9.726094
H             0.027086           -6.224519            8.682015
H             2.885327           -3.024060           -2.012152
H             1.127269           -2.689778           -1.878251
H             1.717598           -4.376726           -1.896076
H             3.695685           -4.262270            9.187041
H             4.504803           -5.006211            7.781016
H             4.090540           -6.015635            9.200974
H             1.995665            0.554340            2.255139
H             3.767056            0.635751            2.137112
H             0.572862           -3.813314            9.557123
H             1.662803           -4.579697           10.725493
H            -2.401915           -5.329783           -1.022906
H            -3.135970           -6.787803           -0.274652
H            -1.376443           -6.735583           -0.612253
H            -1.003873           -7.515015            2.169675
H            -2.773446           -7.476680            2.426813
H            -1.675225           -6.564370            3.524566
H            -4.335075           -5.215667            1.398030
H            -3.542749           -3.659171            1.109062
H            -0.332573           -4.166460           11.917898
H            -0.348667           -5.913040           11.642035
H            -2.897116           -3.600225            3.617662
H            -3.820099           -5.100144            3.831465
H            -7.436521           -1.719514            5.939301
H            -7.749058           -2.309981            4.276566
H            -6.631170           -0.929515            4.551292
H            -5.591318           -5.434136            5.702290
H            -7.146612           -4.925610            4.957697
H            -6.775618           -4.500986            6.657740
H            -4.910343           -2.358601            2.901742
H            -5.885489           -3.840299            2.851703
H             5.394377            0.578188            4.422992
H             4.945055           -1.125882            4.774073
H             4.772946            0.118965            6.039711
H             3.498376            2.637329            4.211064
H             2.752765            2.257898            5.794611
H             1.729899            2.358517            4.327875
H            -2.557899           -7.139960           10.751150
H            -2.116474           -6.772713            9.051306
H            -3.752285           -6.383810            9.653140
H            -2.851024           -3.507381           12.434764
H            -2.999085           -5.279199           12.685020
H            -4.207645           -4.408612           11.690518
Ag           -0.014092           -3.308742            3.967175
Ag           -1.029184           -2.184019            6.442425
Au           -2.569958           -0.394477            8.073146
P            -2.702638            1.897103            8.675789
C            -1.104404            2.764716            8.494363
C            -3.846831            2.758677            7.542719
C            -3.269007            2.291596           10.393593
P            -4.513015            5.710260           12.647848
C            -3.722055            3.750275           10.632134
C            -3.678655            6.969257           11.607665
C            -6.258433            5.743712           12.088482
C            -3.839839            4.048806           12.139507
H            -0.365809            2.337363            9.190748
H            -1.210919            3.841435            8.706807
H            -0.729665            2.644233            7.465689
H            -3.838876            3.847024            7.722008
H            -4.871793            2.379960            7.688092
H            -3.551858            2.569601            6.497437
H            -2.418130            2.030304           11.051346
H            -4.080551            1.586348           10.647049
H            -4.691742            3.918263           10.132576
H            -3.006781            4.459132           10.181513
H            -2.605629            7.029384           11.852383
H            -4.124097            7.951705           11.837889
H            -3.806661            6.786636           10.525700
H            -6.667414            6.746407           12.300427
H            -6.858404            5.015218           12.658789
H            -6.369711            5.550216           11.005826
H            -4.492935            3.305444           12.634286
H            -2.849647            3.950732           12.623166
Au           -2.365235           -3.110558            8.798659

117
Au6Ag3P8-1
Au            0.100405            0.280103            5.373078
Au           -0.048166            1.599576           -0.288384
P             1.931459           -1.248618            5.511954
P             0.507077            3.888866           -0.751233
C             2.753290           -0.995161            7.118850
C            -0.225377            5.052176            0.447134
C             3.247011           -1.209708            4.221688
C             4.160381            0.022821            4.256340
C            -0.146730            4.425881           -2.389986
Au            0.377628           -1.147231           -0.303398
P            -1.802548            1.619200            5.926934
Au           -2.119601           -0.168272            0.531591
Au            2.373179            0.773523            1.021075
C             1.335435           -2.971255            5.534591
C             2.288995            4.284007           -0.773588
C             5.153278            0.035945            3.073512
C             0.391369            3.624054           -3.585469
P             1.161618           -3.268472           -1.017283
C            -1.921742            1.699680            7.740480
C            -1.799792            3.345260            5.343931
C            -3.360671            0.835484            5.342576
Au           -0.253224            0.324506           -5.882708
P            -4.250414           -0.572450            1.456045
P             4.638274            1.004418            1.596215
C            -0.466132            3.820768           -4.842058
C             2.949713           -3.327987           -1.363666
C             0.852067           -4.570647            0.220018
C             0.307237           -3.856795           -2.541738
C            -3.475845            0.803934            3.808413
P            -0.062637            2.686940           -6.238569
P            -0.418864           -2.028578           -6.288229
C            -4.872542           -2.240287            1.084392
C            -5.508934            0.590337            0.839531
C            -4.235048           -0.424672            3.290528
C             5.020668            2.738695            2.004190
C             5.795031            0.535718            0.271402
C             0.543417           -2.986207           -3.783285
C            -1.198506            3.171397           -7.577975
C             1.608578            3.128062           -6.815336
C             1.011979           -2.560506           -7.282878
C            -1.894022           -2.379474           -7.294935
C            -0.531154           -3.185505           -4.856034
H             3.583670           -1.713841            7.242184
H             2.032576           -1.165758            7.937130
H             3.145452            0.029490            7.217158
H             0.172459            4.849628            1.455110
H            -1.321743            4.943479            0.472310
H             0.021933            6.093397            0.173375
H             2.738973           -1.300475            3.242477
H             3.851486           -2.126455            4.360524
H             4.749418            0.015150            5.189185
H             3.562905            0.953554            4.281774
H             0.064530            5.506084           -2.508213
H            -1.246452            4.329883           -2.320173
H             2.170883           -3.662114            5.745875
H             0.875341           -3.244018            4.571159
H             0.580469           -3.095472            6.328601
H             2.821906            3.648837           -1.499236
H             2.711829            4.105811            0.227483
H             2.446657            5.345191           -1.040577
H             5.383102           -0.992407            2.742449
H             6.118999            0.478405            3.385482
H             0.400195            2.543622           -3.327650
H             1.439055            3.908366           -3.787767
H            -2.023900            0.690166            8.171952
H            -2.800009            2.301640            8.035546
H            -1.020408            2.173441            8.163957
H            -0.911821            3.864368            5.740630
H            -2.698996            3.870560            5.711470
H            -1.774070            3.393917            4.243670
H            -4.215268            1.363697            5.803645
H            -3.363502           -0.185011            5.765973
H            -0.380664            4.855586           -5.223835
H            -1.535400            3.659080           -4.611383
H             3.223226           -2.602789           -2.146192
H             3.246441           -4.341346           -1.687969
H             3.509069           -3.076351           -0.448538
H             1.229683           -5.544719           -0.139225
H            -0.227732           -4.663167            0.420056
H             1.365154           -4.322255            1.163088
H            -0.768806           -3.897078           -2.291403
H             0.626968           -4.900632           -2.727558
H            -2.461521            0.788532            3.356254
H            -3.953030            1.735536            3.455841
H            -4.961456           -2.371377           -0.006247
H            -5.870167           -2.386844            1.537626
H            -4.184982           -3.005606            1.478199
H            -5.226345            1.633352            1.054095
H            -6.483075            0.379672            1.317754
H            -5.627862            0.472263           -0.249540
H            -3.772301           -1.353300            3.673013
H            -5.287882           -0.427322            3.633119
H             6.087655            2.833109            2.276017
H             4.408456            3.089635            2.851092
H             4.828376            3.386951            1.135420
H             6.836313            0.679618            0.613478
H             5.630813            1.166042           -0.617277
H             5.656923           -0.521107           -0.009749
H             1.550048           -3.176776           -4.195356
H             0.539026           -1.909108           -3.481798
H            -1.071270            4.242404           -7.815818
H            -2.248152            2.988365           -7.294415
H            -0.978161            2.588938           -8.487716
H             2.372286            2.895258           -6.057130
H             1.654253            4.203423           -7.063198
H             1.846796            2.555910           -7.727241
H             1.958237           -2.418347           -6.737775
H             1.060345           -1.966387           -8.210877
H             0.906190           -3.623904           -7.562914
H            -1.857008           -1.794811           -8.229286
H            -2.815553           -2.111239           -6.754038
H            -1.928257           -3.450725           -7.561580
H            -0.497711           -4.213245           -5.264045
H            -1.539659           -3.051082           -4.423191
Ag           -0.312211            0.108000           -2.940692
Ag           -0.008470            0.231384            2.440823
Ag           -2.498400            1.288799           -1.847100

117
Au6Ag3P8-2
Au            0.139531            0.037661            5.341960
Au            2.408019            1.529012            0.475205
P             2.094804           -0.817651            6.437562
P             3.243969            3.467822           -0.574831
C             2.749059            0.408352            7.616476
C             3.420255            4.864448            0.577293
C             3.522055           -1.523634            5.496282
C             4.672649           -0.560120            5.174760
C             2.094381            4.070204           -1.885871
Au            1.272953           -1.131113           -0.036874
P            -2.128792            0.756341            5.100234
Au           -1.700987           -1.295757           -0.425688
Au            3.554342           -0.876306            1.648712
C             1.493740           -2.205105            7.459642
C             4.872654            3.239518           -1.356774
C             5.786864           -1.269953            4.375359
C             1.839329            3.109522           -3.058892
P             2.029288           -3.237781           -0.857205
C            -2.731075            0.973305            6.807207
C            -2.444511            2.343614            4.263411
C            -3.238877           -0.510339            4.351278
Au           -0.020180            0.256109           -5.290055
P            -3.719882           -2.136114            0.474641
P             5.731743           -1.057272            2.546865
C             0.681150            3.611087           -3.933523
C             3.744885           -3.224210           -1.474297
C             1.969431           -4.522314            0.432667
C             0.994312           -3.900920           -2.234554
C            -3.073797           -0.680907            2.836055
P             0.308585            2.620787           -5.445776
P            -0.337835           -2.064190           -5.798570
C            -4.102531           -3.880677            0.132496
C            -5.122352           -1.172617           -0.174153
C            -3.760159           -1.953680            2.313223
C             6.669193            0.469450            2.204582
C             6.730216           -2.412603            1.852967
C             1.045789           -3.071521           -3.526613
C            -1.156916            3.421299           -6.171369
C             1.675348            2.923306           -6.613491
C             0.904253           -2.555024           -7.037494
C            -1.961628           -2.374736           -6.559193
C            -0.203744           -3.259155           -4.398235
H             3.535487           -0.046049            8.245185
H             1.936980            0.742617            8.284059
H             3.156715            1.293232            7.103526
H             4.134197            4.608576            1.377249
H             2.450353            5.114185            1.037286
H             3.799811            5.751222            0.039228
H             3.111648           -1.980808            4.576914
H             3.905094           -2.357465            6.115725
H             5.115186           -0.189712            6.114294
H             4.304612            0.331685            4.634207
H             2.510772            5.029224           -2.251535
H             1.147868            4.321364           -1.372555
H             2.305469           -2.563588            8.117422
H             1.148352           -3.042368            6.830875
H             0.655975           -1.877250            8.097227
H             4.853912            2.411641           -2.082276
H             5.624702            3.009714           -0.584556
H             5.178522            4.168164           -1.872056
H             5.788629           -2.355294            4.582892
H             6.782539           -0.901436            4.686105
H             1.595430            2.098711           -2.673726
H             2.758866            3.006438           -3.660341
H            -2.664155            0.028443            7.371172
H            -3.785998            1.301252            6.797368
H            -2.134050            1.739765            7.329464
H            -1.857183            3.137102            4.755493
H            -3.513275            2.610645            4.342328
H            -2.153417            2.303739            3.202097
H            -4.277538           -0.227010            4.607050
H            -3.035263           -1.457659            4.883139
H             0.878410            4.640747           -4.289341
H            -0.255254            3.658754           -3.347891
H             3.864376           -2.487795           -2.285091
H             4.020304           -4.224621           -1.853274
H             4.430988           -2.953321           -0.656169
H             2.330244           -5.486515            0.032246
H             0.936603           -4.652877            0.794104
H             2.602611           -4.224900            1.284191
H            -0.035047           -3.949912           -1.836848
H             1.314835           -4.944845           -2.417882
H            -1.998337           -0.729724            2.574338
H            -3.481940            0.209284            2.325470
H            -4.190233           -4.037156           -0.955117
H            -5.062523           -4.159283            0.603195
H            -3.309965           -4.539463            0.521552
H            -5.012548           -0.104299            0.071931
H            -6.069377           -1.544900            0.256011
H            -5.175271           -1.271578           -1.270741
H            -3.282559           -2.853817            2.740973
H            -4.823927           -1.986593            2.617685
H             7.700849            0.367979            2.586564
H             6.193894            1.336450            2.690754
H             6.714446            0.649632            1.118430
H             7.727117           -2.425789            2.330068
H             6.868736           -2.265413            0.770007
H             6.244398           -3.386569            2.025880
H             1.954888           -3.325511           -4.097757
H             1.136087           -1.993365           -3.270429
H            -0.955292            4.492468           -6.347118
H            -2.031180            3.323860           -5.507626
H            -1.401219            2.953637           -7.139710
H             2.624447            2.497000           -6.251192
H             1.800483            4.007927           -6.777473
H             1.443138            2.459143           -7.587019
H             1.929267           -2.429122           -6.653815
H             0.795756           -1.931772           -7.940858
H             0.752413           -3.610090           -7.328840
H            -2.074489           -1.754638           -7.464041
H            -2.779346           -2.124669           -5.864071
H            -2.049136           -3.434550           -6.857291
H            -0.246556           -4.279077           -4.824694
H            -1.120216           -3.126621           -3.794206
Ag           -0.155492           -0.086643           -2.440510
Ag            0.985584            0.137070            2.573773
Ag           -0.354733            1.115263            0.108153

117
Au6Ag3P8-3
Au            0.844473            0.336840            6.565216
Au            0.726847            1.475346           -1.638664
P             2.873368           -0.313794            7.672478
P             1.505994            3.518918           -2.567123
C             3.399904            1.026374            8.788716
C             1.899928            4.819083           -1.356145
C             4.328101           -0.758095            6.637850
C             4.741033            0.325668            5.634306
C             0.160230            4.205317           -3.622762
Au            0.663066           -1.354436           -1.483419
P            -1.402302            1.082967            6.227633
Au           -1.420437            0.161750           -0.345272
Au            3.613812            0.563689            2.210289
C             2.559783           -1.765267            8.724892
C             2.980998            3.339726           -3.618378
C             5.827184           -0.163326            4.656983
C            -0.300054            3.243681           -4.734701
P             1.338863           -3.518076           -2.200988
C            -2.191800            0.800231            7.849467
C            -1.548693            2.872445            5.917456
C            -2.515457            0.218250            5.034805
Au           -2.204687           -0.091278           -5.994168
P            -3.427349            0.234966            0.903053
P             5.811987            0.736339            3.052861
C            -1.756855            3.484413           -5.145134
C             2.894370           -3.547656           -3.147564
C             1.539356           -4.730258           -0.858268
C             0.021143           -4.205517           -3.292254
C            -2.356900            0.600794            3.556537
P            -2.421197            2.270779           -6.361327
P            -2.257607           -2.459755           -6.392365
C            -4.692407           -0.899125            0.244680
C            -4.193816            1.889153            0.887974
C            -3.289365           -0.246490            2.679506
C             6.337558            2.448230            3.367279
C             7.097321           -0.022394            2.016195
C            -0.319154           -3.314229           -4.497475
C            -4.176590            2.704081           -6.571631
C            -1.615148            2.631236           -7.955790
C            -1.249268           -2.812667           -7.868435
C            -3.956560           -2.964024           -6.808217
C            -1.706281           -3.619368           -5.073380
H             4.291435            0.712247            9.360296
H             2.595892            1.254937            9.508386
H             3.635370            1.945599            8.230226
H             2.725206            4.481365           -0.707862
H             1.021646            5.034913           -0.727009
H             2.211462            5.745658           -1.870485
H             4.063135           -1.695677            6.115442
H             5.154323           -1.003552            7.332387
H             5.096286            1.226946            6.163116
H             3.842942            0.631449            5.061222
H             0.491012            5.174479           -4.041417
H            -0.671633            4.429721           -2.929635
H             3.463683           -2.013343            9.308076
H             2.275705           -2.638279            8.115017
H             1.741762           -1.552087            9.433564
H             2.804967            2.602358           -4.418318
H             3.830949            2.989119           -3.009324
H             3.250362            4.309534           -4.073387
H             5.677055           -1.228756            4.402549
H             6.839065           -0.083764            5.097567
H            -0.206573            2.193671           -4.383286
H             0.371244            3.333530           -5.606390
H            -2.236308           -0.276439            8.083043
H            -3.217963            1.208323            7.846235
H            -1.624122            1.306601            8.647295
H            -1.008437            3.422000            6.706522
H            -2.607375            3.185031            5.948205
H            -1.111421            3.153239            4.946455
H            -3.547247            0.433205            5.372887
H            -2.360263           -0.865397            5.184287
H            -1.888286            4.488978           -5.591852
H            -2.421876            3.444613           -4.262189
H             2.838035           -2.880791           -4.022975
H             3.116025           -4.574505           -3.488882
H             3.724974           -3.205258           -2.508407
H             1.799497           -5.721590           -1.269099
H             0.607359           -4.816620           -0.277490
H             2.346606           -4.403522           -0.182856
H            -0.864058           -4.337377           -2.643245
H             0.325332           -5.218817           -3.616127
H            -1.306462            0.454787            3.227722
H            -2.580537            1.674300            3.430122
H            -4.914697           -0.638032           -0.802326
H            -5.623758           -0.820277            0.831565
H            -4.334275           -1.940343            0.279749
H            -3.511105            2.644769            1.307274
H            -5.132763            1.885260            1.469581
H            -4.429126            2.179091           -0.149024
H            -2.986194           -1.309072            2.701732
H            -4.323313           -0.207346            3.074168
H             7.337419            2.455668            3.837264
H             5.622586            2.966566            4.025935
H             6.396696            3.000396            2.415049
H             8.079457            0.045965            2.517530
H             7.159855            0.502373            1.048529
H             6.865308           -1.083259            1.831125
H             0.455935           -3.421805           -5.275737
H            -0.299092           -2.247790           -4.183811
H            -4.276561            3.762555           -6.871093
H            -4.736744            2.540446           -5.637555
H            -4.629730            2.080778           -7.360719
H            -0.533008            2.426440           -7.920418
H            -1.773402            3.690916           -8.226853
H            -2.060114            2.008149           -8.749873
H            -0.188065           -2.566300           -7.704332
H            -1.612742           -2.216418           -8.722688
H            -1.336930           -3.880476           -8.137895
H            -4.327876           -2.370816           -7.661042
H            -4.636148           -2.810607           -5.954548
H            -3.974962           -4.029363           -7.098532
H            -1.745433           -4.638544           -5.502913
H            -2.475083           -3.581892           -4.279997
Ag           -1.107618            0.007251           -3.315133
Ag            1.287386            0.377785            3.731815
Ag            1.159939            0.227581            0.948075

117
Au6Ag3P8-4
Au           -0.040121           -1.038154            5.704617
Au            0.552727            2.594893           -1.318847
P             1.957123           -2.340897            5.933760
P             1.152964            4.684093           -2.274012
C             2.504878           -2.242004            7.669117
C             1.086852            6.129035           -1.170665
C             3.427192           -1.972821            4.878770
C             4.193870           -0.684384            5.209857
C            -0.089209            4.992806           -3.597466
Au            0.910970           -0.121247           -0.334326
P            -2.175305           -0.022425            6.051085
Au           -1.591800            1.150288           -0.129851
Au            2.918161            0.339176            1.820128
C             1.593490           -4.101522            5.631968
C             2.798722            4.707115           -3.049782
C             5.382923           -0.458782            4.248833
C            -0.176960            3.851920           -4.630677
P             1.919561           -2.225314           -0.817757
C            -2.935753           -0.910953            7.447571
C            -2.087396            1.725563            6.552074
C            -3.404973           -0.157324            4.684011
Au           -1.193966            0.111541           -5.685911
P            -3.801914            1.217417            0.692695
P             5.073186            0.591693            2.765209
C            -1.564841            3.757032           -5.272613
C             3.592618           -2.068860           -1.525946
C             2.091260           -3.358757            0.602721
C             0.930820           -3.202692           -2.033506
C            -3.080300            0.639638            3.414290
P            -1.789462            2.321837           -6.405430
P            -0.729646           -2.234645           -5.787591
C            -5.029764            0.496994           -0.443528
C            -4.362320            2.922639            1.005658
C            -4.044667            0.291357            2.271437
C             5.286161            2.312542            3.324584
C             6.456588            0.254208            1.632277
C             0.808018           -2.570955           -3.425468
C            -3.539173            2.373470           -6.906824
C            -0.828229            2.685676           -7.911490
C             0.665802           -2.513757           -6.925405
C            -2.156420           -3.094018           -6.522387
C            -0.351954           -3.157944           -4.237898
H             3.393567           -2.878797            7.826390
H             1.702805           -2.608950            8.331684
H             2.745903           -1.208219            7.963280
H             1.817423            6.015533           -0.352851
H             0.080591            6.239429           -0.734755
H             1.333522            7.046149           -1.734101
H             3.079494           -1.969805            3.828843
H             4.101932           -2.844557            4.987017
H             4.602689           -0.757383            6.231548
H             3.515241            0.189003            5.213542
H             0.136709            5.962184           -4.080443
H            -1.053732            5.124303           -3.073569
H             2.469129           -4.720406            5.895949
H             1.332146           -4.276214            4.575577
H             0.744229           -4.424397            6.257382
H             2.902089            3.886444           -3.777628
H             3.577750            4.588569           -2.279192
H             2.961921            5.670032           -3.565669
H             5.787800           -1.423975            3.894775
H             6.216461            0.037585            4.781170
H             0.042981            2.881471           -4.139835
H             0.600013            3.993067           -5.401720
H            -3.094871           -1.973017            7.197687
H            -3.909115           -0.454637            7.701067
H            -2.286438           -0.852572            8.337203
H            -1.465160            1.814232            7.458391
H            -3.096501            2.104334            6.791429
H            -1.637764            2.353868            5.767030
H            -4.378166            0.161859            5.103613
H            -3.501669           -1.235743            4.460952
H            -1.802431            4.666666           -5.856270
H            -2.346135            3.666964           -4.495892
H             3.575751           -1.436974           -2.428727
H             3.999339           -3.061959           -1.787485
H             4.260359           -1.592555           -0.789627
H             2.553120           -4.311086            0.285641
H             1.100717           -3.570030            1.038331
H             2.725816           -2.888465            1.370616
H            -0.066317           -3.342753           -1.576294
H             1.389753           -4.208050           -2.098109
H            -2.040786            0.420958            3.087338
H            -3.115343            1.722092            3.632809
H            -5.030138            1.054432           -1.394507
H            -6.041204            0.553570           -0.004168
H            -4.789769           -0.557907           -0.651893
H            -3.717261            3.425830            1.743832
H            -5.402188            2.919579            1.376430
H            -4.331052            3.502821            0.068887
H            -3.971680           -0.782914            2.020575
H            -5.093661            0.471562            2.577874
H             6.299588            2.445159            3.744903
H             4.546406            2.570054            4.099247
H             5.165775            3.008415            2.478439
H             7.415989            0.431815            2.150144
H             6.406379            0.920389            0.755338
H             6.432325           -0.792389            1.290161
H             1.758386           -2.681679           -3.975487
H             0.641713           -1.474857           -3.320150
H            -3.776174            3.351904           -7.360749
H            -4.202658            2.206425           -6.043470
H            -3.740234            1.589816           -7.656315
H             0.254060            2.714453           -7.706967
H            -1.143265            3.656866           -8.333170
H            -1.013656            1.909593           -8.673078
H             1.591444           -2.044805           -6.555030
H             0.436188           -2.079652           -7.913426
H             0.836423           -3.596405           -7.059281
H            -2.401357           -2.648396           -7.501069
H            -3.043018           -3.017323           -5.872370
H            -1.916060           -4.159999           -6.682108
H            -0.153788           -4.209666           -4.520014
H            -1.285119           -3.161533           -3.644533
Ag           -0.574077            0.421241           -2.797927
Ag            0.413069           -0.209757            2.996603
Ag            0.645076            2.070686            1.487900

118
Au6Ag4P8-1
Au            0.258543            0.011146            5.253493
Au            2.466671            1.330901            0.338299
P             2.190323           -0.702987            6.500602
P             3.186409            3.381123           -0.663422
C             2.718697            0.624842            7.627240
C             3.263570            4.723737            0.561898
C             3.697060           -1.415482            5.693698
C             4.874540           -0.450801            5.483473
C             2.039348            4.006054           -1.969412
Au            2.030842           -1.567631            0.188199
P            -2.043155            0.672996            5.038710
Au           -2.739947           -0.786402           -0.625097
Au            4.000890           -0.490991            1.980871
C             1.542760           -2.037836            7.562156
C             4.849853            3.250611           -1.391735
C             6.027194           -1.147572            4.725251
C             1.821777            3.105569           -3.197940
P             2.238473           -3.607523           -1.043227
C            -2.545476            0.893077            6.778927
C            -2.418964            2.258703            4.227446
C            -3.196934           -0.599246            4.361414
Au           -0.090687            0.376433           -5.496337
P            -4.407541           -2.021927            0.548148
P             6.129139           -0.841631            2.917023
C             0.709259            3.672375           -4.097236
C             3.878386           -3.753166           -1.820062
C             2.051266           -5.047127            0.053774
C             0.981991           -3.860881           -2.369348
C            -3.273738           -0.678331            2.829407
P             0.348563            2.737734           -5.650492
P            -0.363951           -1.971140           -5.916346
C            -4.456029           -3.790903            0.125083
C            -6.071832           -1.358037            0.242864
C            -4.065603           -1.915018            2.366937
C             7.160546            0.628887            2.653971
C             6.982686           -2.259897            2.173101
C             0.958821           -2.834389           -3.511919
C            -1.032673            3.613707           -6.446053
C             1.797136            2.954952           -6.733222
C             0.931852           -2.429005           -7.112197
C            -1.952969           -2.366950           -6.706250
C            -0.198352           -3.124756           -4.482941
H             3.473819            0.245304            8.337648
H             1.853295            0.974964            8.215014
H             3.136093            1.483773            7.080339
H             3.973340            4.468622            1.365031
H             2.273090            4.907669            1.008620
H             3.611297            5.653884            0.076512
H             3.374762           -1.874435            4.740594
H             4.019894           -2.248236            6.347996
H             5.258955           -0.121769            6.462883
H             4.552221            0.468389            4.959656
H             2.438126            4.991952           -2.279841
H             1.080816            4.209789           -1.457125
H             2.318851           -2.353692            8.282706
H             1.238780           -2.912390            6.963569
H             0.671565           -1.682512            8.138054
H             4.891527            2.479774           -2.176378
H             5.577565            2.990933           -0.605828
H             5.146785            4.223584           -1.823757
H             5.988344           -2.242160            4.870678
H             7.007480           -0.825064            5.126542
H             1.554083            2.080586           -2.875564
H             2.763992            3.024652           -3.767619
H            -2.453473           -0.046625            7.347412
H            -3.599124            1.224316            6.819971
H            -1.924491            1.664110            7.265550
H            -1.828096            3.058344            4.704071
H            -3.488395            2.501430            4.357127
H            -2.172673            2.233016            3.155078
H            -4.194111           -0.377135            4.787540
H            -2.888767           -1.567385            4.796728
H             0.953560            4.703807           -4.416827
H            -0.244392            3.740530           -3.541046
H             4.076340           -2.914023           -2.505376
H             3.949533           -4.702230           -2.381425
H             4.658208           -3.759404           -1.042137
H             2.151171           -5.980087           -0.528128
H             1.067195           -5.039754            0.549031
H             2.834200           -5.038686            0.828057
H            -0.001400           -3.901028           -1.865830
H             1.171620           -4.876449           -2.769247
H            -2.254463           -0.725544            2.396133
H            -3.741047            0.245312            2.441162
H            -4.762913           -3.920217           -0.926581
H            -5.196612           -4.309375            0.762573
H            -3.470638           -4.260120            0.276354
H            -6.158428           -0.309867            0.569184
H            -6.811395           -1.965335            0.797328
H            -6.318357           -1.415740           -0.830245
H            -3.528776           -2.839252            2.646818
H            -5.049656           -1.963774            2.872122
H             8.167200            0.442698            3.073261
H             6.728342            1.509938            3.153164
H             7.268740            0.836519            1.577970
H             7.955340           -2.405503            2.680526
H             7.176522           -2.079955            1.103734
H             6.389805           -3.180612            2.291246
H             1.923220           -2.844486           -4.051160
H             0.843750           -1.813197           -3.091581
H            -0.772052            4.675710           -6.605277
H            -1.950637            3.554978           -5.840381
H            -1.239086            3.159451           -7.430789
H             2.691480            2.467083           -6.316067
H             2.003812            4.031788           -6.869810
H             1.596711            2.518384           -7.726863
H             1.941216           -2.286734           -6.695202
H             0.843853           -1.814440           -8.023938
H             0.805538           -3.488733           -7.402246
H            -2.081319           -1.752333           -7.613235
H            -2.801232           -2.168151           -6.032282
H            -1.969702           -3.430066           -7.006840
H            -0.098196           -4.140062           -4.913231
H            -1.167556           -3.106104           -3.949204
Ag           -1.014749            0.167508           -2.874884
Ag            1.191309           -0.058015            2.532480
Ag           -0.105457            0.246436           -0.166804
Ag           -2.185898            1.905234           -1.110463

115
Au6AgP8-1
Au            0.056020            0.017689            3.851493
Au           -0.040287            1.342440            1.127141
P             2.379239            0.082362            4.317451
P            -0.042378            3.711912            1.107683
C             2.993530            1.766305            4.673243
C            -1.095646            4.589679            2.319158
C             3.546707           -0.618303            3.070450
C             3.561501            0.147606            1.740079
C            -0.677333            4.275802           -0.531125
Au           -0.010328           -1.354189            1.122938
P            -2.236436           -0.060716            4.454871
Au           -1.422026            0.014136           -1.228021
Au            1.287462           -0.008196           -1.287726
C             2.738022           -0.867131            5.834540
C             1.590042            4.523238            1.285043
C             4.159739           -0.671609            0.584447
C             0.053869            3.605037           -1.708207
P             0.058386           -3.721541            1.098972
C            -2.464634           -1.129734            5.917561
C            -2.899277            1.563288            4.967482
C            -3.449075           -0.728532            3.233226
Au           -0.157867            0.000619           -3.870956
P            -3.757049            0.018831           -0.868475
P             3.630960           -0.074322           -1.084265
C            -0.845065            3.458643           -2.936000
C             1.723678           -4.479462            1.189655
C            -0.900393           -4.638635            2.357740
C            -0.636585           -4.301955           -0.509065
C            -3.561160            0.111054            1.954630
P            -0.187477            2.359214           -4.270254
P            -0.329720           -2.354862           -4.257574
C            -4.765273           -0.979143           -2.024531
C            -4.544853            1.671463           -0.933569
C            -4.219284           -0.650422            0.793038
C             4.478206            1.535060           -1.293714
C             4.517745           -1.186893           -2.234125
C             0.032601           -3.620529           -1.719026
C            -1.292508            2.814999           -5.658729
C             1.436879            3.085930           -4.691415
C             1.210696           -3.175913           -4.806832
C            -1.559637           -2.731362           -5.561418
C            -0.940005           -3.432429           -2.883532
H             4.057320            1.743504            4.967456
H             2.411811            2.199026            5.503556
H             2.872187            2.416161            3.793201
H            -0.757756            4.353975            3.341527
H            -2.141318            4.255917            2.218154
H            -1.054382            5.683887            2.175303
H             3.219785           -1.661838            2.908657
H             4.553035           -0.664007            3.528288
H             4.124110            1.090284            1.859888
H             2.521369            0.423701            1.479891
H            -0.637893            5.379478           -0.596713
H            -1.745826            3.992632           -0.538244
H             3.807584           -0.800519            6.098770
H             2.468499           -1.926473            5.690639
H             2.138913           -0.473277            6.671878
H             2.297682            4.115723            0.546218
H             1.995207            4.324181            2.290823
H             1.514615            5.616476            1.147083
H             3.808616           -1.717786            0.642018
H             5.265365           -0.701949            0.629281
H             0.391301            2.594865           -1.405353
H             0.956675            4.186408           -1.963952
H            -2.150027           -2.160418            5.687284
H            -3.520882           -1.139083            6.237526
H            -1.844967           -0.759916            6.750811
H            -2.300604            1.953281            5.807347
H            -3.948439            1.470132            5.297989
H            -2.842576            2.286255            4.139334
H            -4.425889           -0.841737            3.740692
H            -3.092911           -1.746207            2.990931
H            -1.049585            4.442645           -3.400419
H            -1.818210            3.025876           -2.642276
H             2.376243           -4.058922            0.407975
H             1.671950           -5.575991            1.066234
H             2.179633           -4.259435            2.169269
H            -0.834413           -5.730122            2.203336
H            -1.959014           -4.334878            2.318851
H            -0.514391           -4.401257            3.362943
H            -1.710471           -4.042177           -0.472539
H            -0.578108           -5.404674           -0.574839
H            -2.540203            0.414796            1.651702
H            -4.128048            1.036047            2.159545
H            -4.610395           -0.617752           -3.054681
H            -5.841051           -0.912793           -1.783873
H            -4.454538           -2.035720           -1.983615
H            -4.068157            2.347689           -0.205892
H            -5.625697            1.609446           -0.713842
H            -4.416682            2.104158           -1.939610
H            -3.880379           -1.702721            0.788450
H            -5.322067           -0.670944            0.885232
H             5.563857            1.442958           -1.113614
H             4.059267            2.278818           -0.597952
H             4.321097            1.902453           -2.321159
H             5.607405           -1.172464           -2.052667
H             4.327226           -0.872215           -3.273502
H             4.149831           -2.219377           -2.116824
H             0.904556           -4.216329           -2.042297
H             0.411805           -2.623508           -1.422159
H            -1.411711            3.911169           -5.712846
H            -2.285002            2.355063           -5.522233
H            -0.875505            2.451416           -6.611776
H             2.168377            2.870862           -3.897096
H             1.348639            4.178750           -4.818477
H             1.808667            2.646277           -5.630483
H             2.026928           -2.982631           -4.093050
H             1.517435           -2.779765           -5.787623
H             1.054158           -4.265146           -4.893503
H            -1.208272           -2.352647           -6.534295
H            -2.520617           -2.241658           -5.335017
H            -1.722221           -3.820738           -5.633332
H            -1.215633           -4.404832           -3.336089
H            -1.875258           -2.963843           -2.527114
Ag            0.460955           -0.027989           -6.570408

115
Au6AgP8-2
Au           -0.141755            0.018669            3.920516
Au            0.161906            1.413312            1.250191
P             1.948397            0.437341            4.966420
P             0.164020            3.761976            0.812696
C             2.305398            2.215725            5.195766
C            -0.645971            4.844605            2.047033
C             3.457183           -0.273050            4.182604
C             3.756898            0.357179            2.816325
C            -0.660966            4.277023           -0.774715
Au            0.126831           -1.333087            1.170800
P            -2.452656           -0.440481            4.181890
Au           -0.650425            0.158185           -1.314690
Au            2.062657            0.015291           -0.469380
C             1.960653           -0.252434            6.656632
C             1.855602            4.451163            0.677789
C             4.583223           -0.548978            1.892119
C            -0.140198            3.593014           -2.051757
P             0.086695           -3.634881            0.538716
C            -2.718060           -1.714404            5.462754
C            -3.382249            1.014267            4.779631
C            -3.400536           -1.065454            2.728345
Au           -0.891990            0.291939           -4.457103
P            -3.048597            0.173905           -1.252216
P             4.339587           -0.125377            0.112532
C            -1.090198            3.768772           -3.249949
C             1.761532           -4.330542            0.283550
C            -0.705498           -4.831215            1.675819
C            -0.792070           -3.965575           -1.069502
C            -3.366290           -0.094982            1.541563
P            -0.814620            2.664775           -4.718296
P            -0.909240           -2.060560           -4.881458
C            -4.008688           -0.533146           -2.645616
C            -3.826005            1.822687           -1.056636
C            -3.702318           -0.765881            0.201458
C             5.262494            1.429020           -0.154691
C             5.304460           -1.381988           -0.796835
C            -0.252926           -3.207906           -2.296924
C            -2.054405            3.262311           -5.917735
C             0.787471            3.188451           -5.424207
C             0.673669           -2.595263           -5.620679
C            -2.170573           -2.525812           -6.115985
C            -1.222983           -3.253397           -3.490213
H             3.255328            2.359660            5.739069
H             1.495061            2.681487            5.780401
H             2.360764            2.726063            4.221130
H            -0.179089            4.685131            3.033335
H            -1.714663            4.588170            2.135092
H            -0.552623            5.910912            1.776584
H             3.258412           -1.354949            4.076674
H             4.304573           -0.169970            4.886196
H             4.273778            1.322478            2.957468
H             2.794351            0.576503            2.314632
H            -0.581506            5.378858           -0.848880
H            -1.732569            4.049451           -0.633005
H             2.914503           -0.029260            7.164827
H             1.819939           -1.345115            6.621052
H             1.134206            0.180667            7.242902
H             2.424670            3.908106           -0.093857
H             2.381065            4.325287            1.638528
H             1.834257            5.526220            0.424357
H             4.247605           -1.598011            1.990366
H             5.661769           -0.531100            2.139095
H            -0.011120            2.513832           -1.852865
H             0.860732            3.985558           -2.304922
H            -2.234497           -2.659771            5.165702
H            -3.794704           -1.896119            5.622640
H            -2.268974           -1.385092            6.414260
H            -2.943518            1.361958            5.729449
H            -4.442176            0.757840            4.953253
H            -3.321913            1.839859            4.052925
H            -4.434631           -1.298561            3.044979
H            -2.920865           -2.021937            2.450954
H            -1.066310            4.806685           -3.633717
H            -2.133267            3.582507           -2.938991
H             2.313710           -3.721048           -0.449503
H             1.713217           -5.375503           -0.069180
H             2.317021           -4.307560            1.236031
H            -0.635688           -5.864258            1.293406
H            -1.767594           -4.572698            1.821336
H            -0.206877           -4.784990            2.658606
H            -1.847668           -3.688419           -0.888317
H            -0.779723           -5.059963           -1.238453
H            -2.348379            0.337115            1.478039
H            -4.063076            0.742416            1.721981
H            -3.716439           -0.044792           -3.590641
H            -5.090885           -0.390971           -2.481704
H            -3.808541           -1.610976           -2.739597
H            -3.362438            2.369889           -0.222609
H            -4.909298            1.722312           -0.868213
H            -3.687329            2.411031           -1.975750
H            -3.243248           -1.769191            0.150435
H            -4.792863           -0.899322            0.074724
H             6.321999            1.312183            0.135123
H             4.812123            2.244753            0.432801
H             5.214737            1.707806           -1.220169
H             6.360428           -1.384871           -0.474639
H             5.264059           -1.168106           -1.877829
H             4.874223           -2.382864           -0.628007
H             0.725045           -3.624889           -2.596220
H            -0.073832           -2.152289           -2.019698
H            -1.954394            4.348841           -6.082577
H            -3.073771            3.045792           -5.559358
H            -1.911930            2.742380           -6.878836
H             1.616377            2.945807           -4.739205
H             0.787066            4.276285           -5.614144
H             0.960076            2.664495           -6.378136
H             1.509511           -2.420717           -4.923790
H             0.863354           -2.019556           -6.540967
H             0.638395           -3.668074           -5.879581
H            -2.013688           -1.941586           -7.037004
H            -3.180767           -2.300648           -5.737483
H            -2.108569           -3.600260           -6.361149
H            -1.247002           -4.261312           -3.947514
H            -2.252574           -3.045871           -3.150501
Ag            1.590181            0.294083           -3.096902

115
Au6AgP8
H            -2.513945            4.800554           16.436065
H            -3.826584           -5.769143           14.816303
H            -1.651147           -1.084534           24.125141
Au           -4.382489           -0.331970           20.685402
H            -2.776655           -2.220412           23.311532
Au           -3.547823            0.645721           17.879434
P            -2.364209           -0.247272           21.936139
H            -3.408825           -0.739835           24.077569
H            -1.923930            3.631828           19.409509
C            -2.192516           -4.960692           19.895227
H            -3.572357            3.612443           20.097698
H            -3.038377            4.999385           19.093881
P            -3.587791            3.024181           17.735129
H             0.386265           -2.183086           19.189433
C            -1.916988            1.449887           22.446482
H             1.674446           -0.999658           19.503610
H            -3.872140            3.735926           14.662558
C            -5.063065           -4.848772           19.920310
C            -3.694882           -5.506557           17.459610
C            -7.190175           -0.683008           17.703438
H            -3.228157            2.134252           15.069094
P            -1.990066            2.059623           12.603396
C            -5.231009            3.777438           17.438419
H            -7.220804           -2.055958           22.100492
H            -8.617729           -0.942594           21.919887
H            -7.178125           -0.444331           22.865357
H            -7.102360            1.989856           21.228736
P            -1.798390           -5.021167           13.793277
H            -8.545013            1.363914           20.370474
H            -7.096980            1.885791           19.445577
C            -6.907779           -2.657387           13.888464
C            -7.189795            0.178510           14.344956
C            -7.430861           -1.697473           16.575009
C            -0.825075           -0.961657           21.208270
C            -0.366345           -0.269978           19.917886
H            -8.623473           -1.267159           19.269791
H            -7.161127           -2.273261           19.194463
H            -0.863156            3.207600           14.361627
H            -1.859453            4.366734           13.453114
H            -1.248215           -4.776608           19.359787
H            -2.279916           -6.041539           20.102614
C            -2.527311            3.695948           16.375289
Au           -3.528353           -2.058906           18.300738
P            -6.749427           -0.296174           20.476682
H            -2.151360           -4.423755           20.856711
H            -5.027518           -5.919114           20.187809
H            -5.995216           -4.656495           19.366010
Au           -4.135230           -1.149213           15.532135
Au           -1.531571           -0.933337           16.370318
C            -2.563151           -1.157722           23.508165
C            -2.974662            3.904766           19.219184
H            -5.086026           -4.252815           20.847459
H            -4.632912           -5.249454           16.933151
C             0.643680           -1.110354           19.116582
C            -2.958588            3.205630           14.984506
P            -3.615615           -4.359452           18.909987
H            -3.803934           -6.546200           17.822359
H            -6.121775           -0.391826           17.695236
H            -7.776812            0.232749           17.512743
C            -7.516985           -1.001534           21.976990
C            -7.441403            1.392112           20.366689
H            -6.412089           -2.485515           12.918935
H            -8.000174           -2.688152           13.729629
C             1.345490            0.944117           17.161199
C             1.907153           -1.831349           16.607638
C            -2.501195           -5.353468           16.502875
C            -3.419135            2.507197           11.558367
C            -0.526265            2.259314           11.533114
C            -0.072242           -5.614790           13.941025
C            -2.384220           -5.679444           12.192113
C            -2.765558           -5.920791           15.092924
H            -6.573900           -3.633918           14.274611
H            -7.031539            1.035933           15.017984
H            -8.272348            0.043686           14.176455
H            -6.707801            0.406700           13.380086
H            -7.106495           -2.704932           16.895074
H            -8.501661           -1.774107           16.305897
H             2.336665            0.991585           17.646513
H             0.678115            1.687264           17.626306
H             1.461013            1.205243           16.096206
H             2.884973           -1.668344           17.094094
H            -1.016687            1.441632           23.085716
H            -2.747188            1.896561           23.016975
H            -1.728985            2.079994           21.564594
H            -5.893422            3.574038           18.294390
H            -5.695825            3.343980           16.539185
H            -5.152413            4.871191           17.312889
H            -1.059351           -2.022321           21.005126
H            -0.038331           -0.949007           21.986206
H             0.074719            0.715143           20.153528
H            -1.257525           -0.085711           19.287916
C            -7.531168           -1.237290           19.094075
Au           -2.235888            0.037772           13.780468
H            -1.501941            3.346787           16.595971
P            -6.437390           -1.331090           15.057318
P             0.622006           -0.732401           17.305114
C            -1.861332            3.359522           13.909805
H             2.009222           -1.638318           15.527204
H             1.612722           -2.885740           16.739276
H            -1.606311           -5.832645           16.937983
H            -2.270500           -4.272867           16.412525
H            -3.294342            3.513164           11.119458
H            -4.343892            2.482133           12.157191
H            -3.521950            1.773560           10.741393
H             0.393865            2.069550           12.108540
H            -0.481393            3.273144           11.098893
H            -0.571842            1.525687           10.710973
H             0.343491           -5.337556           14.923805
H             0.546246           -5.131926           13.164684
H            -0.007283           -6.709190           13.814245
H            -1.804327           -5.210343           11.378736
H            -3.445659           -5.418353           12.043413
H            -2.266814           -6.774451           12.125384
H            -2.574900           -7.008634           15.038788
Ag           -2.116221           -2.685690           14.208289

114
Au6P8-2
Au           -0.100044            0.265334            3.775849
Au           -0.020846            1.314823            0.983103
P             2.149878            0.285547            4.502940
P             0.053559            3.671396            0.660132
C             2.828572            1.981734            4.623243
C            -1.562088            4.527929            0.819720
C             3.384344           -0.634677            3.476718
C             3.514838           -0.083879            2.049041
C             0.729186            4.289785           -0.953660
Au           -0.077944           -1.367352            1.321954
P            -2.392539            0.366166            4.349239
Au           -1.364677           -0.383528           -1.206880
Au            1.373232           -0.433412           -1.125235
C             2.392429           -0.402558            6.176018
C             1.098672            4.558819            1.878661
C             4.084785           -1.102435            1.050219
C            -0.140992            3.928381           -2.166963
P            -0.143941           -3.734897            1.259854
C            -2.748369           -0.322140            6.006004
C            -3.027891            2.080345            4.440222
C            -3.602333           -0.519320            3.263434
Au            0.086695            0.719829           -3.271962
P            -3.685743           -0.577887           -0.923216
P             3.660238           -0.704938           -0.707849
C             0.627252            3.963195           -3.511756
C            -1.771958           -4.479768            1.662674
C             0.211155           -4.407584           -0.407784
C             1.038223           -4.650780            2.341594
C            -3.659246            0.043147            1.835469
P             0.131039            2.589980           -4.649769
P             1.934450           -4.500823            6.478753
C            -4.476278           -1.893679           -1.916858
C            -4.633373            0.925565           -1.371853
C            -4.218553           -0.954629            0.809679
C             4.670109            0.774059           -1.096845
C             4.469662           -2.037980           -1.661638
C             0.899458           -4.337202            3.838147
C            -1.481084            3.095732           -5.346777
C             1.288806            2.696621           -6.056552
C             0.482987           -5.469389            7.108035
C             3.310440           -5.552506            7.132951
C             1.958705           -5.050487            4.689061
H             3.878389            1.965452            4.963652
H             2.230582            2.560793            5.345917
H             2.769391            2.487935            3.647413
H            -1.969554            4.354783            1.829528
H            -2.279989            4.117917            0.092084
H            -1.466027            5.615913            0.657213
H             3.028555           -1.680376            3.455432
H             4.354859           -0.638119            4.009547
H             4.144514            0.824494            2.056311
H             2.509201            0.222418            1.703169
H             1.724150            3.816868           -1.050066
H             0.894673            5.381647           -0.879963
H             3.440048           -0.273789            6.501753
H             2.138685           -1.478376            6.201847
H             1.732173            0.122523            6.885743
H             2.146722            4.232790            1.776509
H             0.765460            4.314549            2.900074
H             1.050384            5.652724            1.734735
H             3.639954           -2.097987            1.235395
H             5.181845           -1.212314            1.147882
H            -1.013143            4.603767           -2.218070
H            -0.539454            2.907680           -2.006592
H            -2.468134           -1.387869            6.034356
H            -3.816422           -0.218526            6.265902
H            -2.140037            0.204534            6.759421
H            -2.441967            2.643479            5.185053
H            -4.091291            2.097333            4.735660
H            -2.907150            2.578179            3.465618
H            -4.594437           -0.506889            3.754107
H            -3.266827           -1.572279            3.245154
H             1.707418            3.810616           -3.335088
H             0.526704            4.937265           -4.025433
H            -2.074667           -4.200706            2.684143
H            -1.738494           -5.581136            1.585325
H            -2.533215           -4.098122            0.964154
H             0.125956           -5.508429           -0.431713
H             1.229583           -4.117036           -0.711893
H            -0.486986           -3.969721           -1.139396
H             2.052909           -4.378523            1.995629
H             0.917097           -5.734675            2.151935
H            -2.631296            0.320956            1.532942
H            -4.261875            0.969228            1.822520
H            -4.291059           -1.698337           -2.985841
H            -5.565741           -1.942115           -1.743899
H            -4.024810           -2.869347           -1.672784
H            -4.291033            1.780678           -0.766287
H            -5.716540            0.780292           -1.214400
H            -4.455918            1.167751           -2.432848
H            -3.824433           -1.965965            1.016923
H            -5.322708           -1.022234            0.855347
H             5.740292            0.603448           -0.884239
H             4.316767            1.635624           -0.506913
H             4.551681            1.022375           -2.164513
H             5.548533           -2.105287           -1.437412
H             4.337868           -1.842221           -2.738393
H             3.988800           -3.003800           -1.436548
H            -0.108246           -4.631953            4.183330
H             0.968887           -3.242957            3.990655
H            -1.409422            4.069981           -5.862112
H            -2.231683            3.162762           -4.542874
H            -1.823289            2.335109           -6.067479
H             2.312800            2.478333           -5.712591
H             1.267496            3.693758           -6.529985
H             1.014921            1.937204           -6.807488
H            -0.460025           -5.072816            6.693841
H             0.423586           -5.368866            8.205691
H             0.554855           -6.544888            6.862853
H             3.354534           -5.459649            8.231704
H             4.279624           -5.205580            6.735519
H             3.184137           -6.620360            6.878809
H             1.843178           -6.149753            4.616406
H             2.969848           -4.814695            4.303500

231
Au6P8-Au6Ag3P8-2
Au           10.672192            0.570453            8.098602
Au            3.479469           -1.766461            8.521835
P            11.273075            0.980522           10.368641
P             2.867412           -4.005901            8.893300
C            12.121776           -0.456124           11.103539
C             4.044607           -5.241117            8.243775
C             9.956614            1.477282           11.556158
C             8.820371            0.460091           11.702142
C             1.246671           -4.585561            8.191581
Au            2.858390            0.905326            8.692058
P            10.841499            0.296788            5.736817
Au            4.803963            1.151498            4.704516
Au            5.410370           -0.087124           10.048245
C            12.476456            2.347836           10.423940
C             2.746396           -4.386527           10.677355
C             7.638968            1.022774           12.506097
C            -0.019354           -3.803962            8.584459
P             1.388221            2.645435            9.241198
C            12.609510            0.447500            5.309486
C            10.311313           -1.308892            5.052671
C            10.020506            1.611404            4.732418
Au           -3.324000           -1.726000            7.379000
P             6.161020            2.424610            3.254979
P             6.076348            0.055332           12.329828
C            -1.267767           -4.539166            8.054055
C             0.771671            2.569113           10.961476
C             2.103155            4.317431            9.081151
C            -0.154941            2.752535            8.213854
C             8.522579            1.398945            4.473564
P            -2.930450           -3.813433            8.428669
P            -3.142417            0.413560            6.363439
C             5.546297            4.109463            2.928668
C             6.337312            1.641365            1.616990
C             7.877794            2.662796            3.884309
C             6.389650           -1.539952           13.165967
C             4.911232            0.931851           13.432294
C            -0.920898            1.440268            7.960922
C            -4.077160           -5.159427            7.968060
C            -3.031120           -3.702435           10.247583
C            -4.713050            1.205028            5.866337
C            -2.180951            0.271964            4.814303
C            -2.287544            1.750397            7.315301
H            12.457252           -0.216423           12.127344
H            13.006998           -0.716452           10.500126
H            11.460266           -1.336176           11.136136
H             5.041966           -5.057558            8.676609
H             4.127121           -5.157768            7.148397
H             3.730135           -6.265134            8.508005
H             9.566224            2.448252           11.199693
H            10.447257            1.669981           12.529278
H             9.193564           -0.464699           12.177108
H             8.465027            0.172164           10.689959
H             1.149423           -5.645204            8.499999
H             1.369224           -4.588777            7.092763
H            12.846370            2.487790           11.454634
H            12.013128            3.287066           10.080230
H            13.338136            2.126758            9.773475
H             1.998592           -3.740868           11.164964
H             3.719836           -4.197760           11.158281
H             2.476949           -5.445291           10.838263
H             7.397864            2.046971           12.166183
H             7.886362            1.096153           13.582222
H             0.034094           -2.775460            8.183009
H            -0.084543           -3.721955            9.684014
H            12.983856            1.451241            5.567207
H            12.753060            0.282456            4.227725
H            13.207894           -0.297887            5.858486
H            10.890991           -2.117048            5.528412
H            10.494728           -1.344269            3.964497
H             9.243012           -1.485172            5.252187
H            10.570287            1.681388            3.774595
H            10.193855            2.564445            5.264128
H            -1.297678           -5.564982            8.471341
H            -1.211993           -4.651874            6.954821
H             0.189784            1.648954           11.127085
H             0.141039            3.444964           11.193003
H             1.624773            2.558579           11.658360
H             1.366116            5.099635            9.331491
H             2.465127            4.476527            8.052792
H             2.962263            4.413117            9.764823
H             0.148531            3.192538            7.245976
H            -0.810044            3.497453            8.706814
H             7.996194            1.133510            5.409941
H             8.389007            0.543304            3.787572
H             4.564380            4.060400            2.430062
H             6.245717            4.656208            2.272081
H             5.432823            4.665672            3.872653
H             6.793246            0.642664            1.709411
H             6.963184            2.265195            0.955587
H             5.345414            1.520296            1.151754
H             7.839911            3.463993            4.644527
H             8.473628            3.054963            3.036888
H             6.720241           -1.373821           14.206812
H             7.160819           -2.118351           12.632321
H             5.464995           -2.139692           13.184365
H             5.315147            1.000515           14.457205
H             3.949289            0.394567           13.465250
H             4.729404            1.950583           13.053070
H            -1.081469            0.888371            8.903718
H            -0.300015            0.791147            7.317999
H            -3.876776           -6.061379            8.570614
H            -3.948821           -5.410019            6.903682
H            -5.119178           -4.840045            8.128562
H            -2.343656           -2.929901           10.625576
H            -2.775224           -4.670940           10.711494
H            -4.053349           -3.424132           10.550940
H            -5.312580            1.440835            6.758745
H            -5.293123            0.521393            5.227521
H            -4.518485            2.139823            5.314722
H            -2.641839           -0.468336            4.140879
H            -1.152233           -0.057692            5.030833
H            -2.141373            1.247303            4.298815
H            -3.000301            2.106203            8.081277
H            -2.185167            2.577785            6.585410
Ag            2.855280           -0.277657            5.993382
Ag            7.758653            0.250139            8.323442
Ag            5.234661            0.132597            7.294147
Au          -15.691715           -4.581856            3.647265
Au          -13.584810           -3.268102            5.431781
P           -16.040245           -6.699706            4.694961
P           -13.983597           -1.981435            7.376681
C           -17.009932           -6.563705            6.235302
C           -15.252286           -0.671563            7.275857
C           -14.566909           -7.726808            5.113302
C           -13.627080           -7.065443            6.127341
C           -12.450230           -1.016790            7.807802
Au          -12.599516           -4.626481            3.238143
P           -16.376688           -2.712399            2.326963
Au          -11.133833           -2.234154            4.177933
Au          -10.953847           -4.568840            5.670426
C           -17.034109           -7.767038            3.598619
C           -14.419141           -2.904587            8.893194
C           -12.233941           -7.715049            6.152770
C           -11.169910           -1.839510            8.042869
P           -11.363670           -5.706593            1.535828
C           -17.512862           -3.279925            1.017429
C           -17.337275           -1.496500            3.291232
C           -15.085516           -1.746409            1.432939
Au           -7.373000           -2.637000            6.032000
P           -11.411710           -0.295182            2.835380
P           -10.930858           -6.617760            6.866275
C            -9.919591           -0.945124            8.016497
C           -11.841825           -7.410611            1.084111
C           -11.276080           -4.835050           -0.068536
C            -9.596297           -5.910919            2.088797
C           -14.099331           -1.040817            2.371537
P            -8.262326           -1.789661            8.072283
P            -6.617041           -3.496234            3.942543
C           -10.041636            0.229193            1.741407
C           -11.879108            1.235992            3.722611
C           -12.803701           -0.613969            1.663237
C           -11.318606           -6.518742            8.652583
C            -9.417518           -7.645000            6.797961
C            -8.860736           -4.623723            2.498203
C            -7.182168           -0.506572            8.805347
C            -8.376802           -3.067391            9.374199
C            -4.893452           -4.109695            4.001545
C            -6.595913           -2.212135            2.642154
C            -7.534423           -4.938340            3.210246
H           -17.190467           -7.564224            6.667204
H           -17.986797           -6.100153            6.019571
H           -16.487906           -5.937548            6.975941
H           -16.241736           -1.124702            7.099859
H           -15.033251            0.011492            6.439495
H           -15.298425           -0.086728            8.210857
H           -14.042393           -7.899913            4.156175
H           -14.925562           -8.712303            5.465811
H           -14.076791           -7.097921            7.135373
H           -13.516885           -5.996923            5.856905
H           -12.682991           -0.385882            8.686978
H           -12.300281           -0.330305            6.954054
H           -17.228872           -8.741296            4.080489
H           -16.511976           -7.938676            2.644091
H           -18.002003           -7.286015            3.382603
H           -13.666437           -3.679295            9.106508
H           -15.390703           -3.405545            8.751040
H           -14.501521           -2.228225            9.761919
H           -11.902281           -7.932033            5.120613
H           -12.238394           -8.679193            6.695792
H           -11.080037           -2.609047            7.252541
H           -11.239992           -2.367826            9.010291
H           -17.014856           -4.007560            0.356250
H           -17.864827           -2.425949            0.411654
H           -18.390027           -3.769185            1.471071
H           -18.230385           -1.984464            3.714528
H           -17.672065           -0.665453            2.645826
H           -16.739042           -1.094853            4.123595
H           -15.595952           -1.031082            0.760443
H           -14.557444           -2.472916            0.788260
H            -9.929157           -0.238682            8.868710
H            -9.915434           -0.335124            7.094850
H           -11.874906           -8.053132            1.978600
H           -11.137895           -7.847478            0.355008
H           -12.846994           -7.400678            0.631923
H           -10.592851           -5.346188           -0.769075
H           -10.944530           -3.793757            0.068100
H           -12.280067           -4.815156           -0.523196
H            -9.047772           -6.441348            1.287063
H            -9.649387           -6.598547            2.953209
H           -13.843085           -1.734566            3.196650
H           -14.583323           -0.160257            2.829613
H            -9.174840            0.541807            2.346503
H           -10.348250            1.078290            1.105300
H            -9.735565           -0.605407            1.090243
H           -12.781088            1.064702            4.329810
H           -12.081514            2.057815            3.012947
H           -11.067036            1.550361            4.398059
H           -12.454220           -1.425256            0.998457
H           -12.958705            0.278095            1.027718
H           -11.402197           -7.525494            9.098078
H           -12.267465           -5.983237            8.808958
H           -10.524913           -5.967009            9.180679
H            -9.571930           -8.614374            7.302339
H            -8.585036           -7.118779            7.291828
H            -9.136089           -7.833966            5.749117
H            -9.505825           -4.032372            3.174910
H            -8.669442           -4.005802            1.603701
H            -7.557781           -0.195993            9.795490
H            -7.156659            0.375973            8.145934
H            -6.155879           -0.894345            8.910252
H            -9.022557           -3.894236            9.042111
H            -8.781426           -2.642065           10.309052
H            -7.373304           -3.474236            9.580313
H            -4.838868           -4.998883            4.649323
H            -4.228706           -3.335225            4.415640
H            -4.545489           -4.388834            2.992837
H            -5.907234           -1.402271            2.931167
H            -7.602228           -1.782782            2.521752
H            -6.262018           -2.633589            1.678221
H            -7.708070           -5.647445            4.040817
H            -6.824105           -5.425751            2.514443

114
Au6P8
Au            0.000000            0.012427            3.770971
Au           -0.000000            1.347054            1.174463
P             2.254825            0.015072            4.478640
P             0.000000            3.700849            0.897377
C             2.889600            1.677019            4.915477
C            -1.430257            4.551873            1.672477
C             3.505110           -0.649903            3.282894
C             3.572859            0.144026            1.971170
C            -0.000000            4.365606           -0.858813
Au           -0.000000           -1.358397            1.180564
P            -2.254825            0.015072            4.478640
Au           -1.351636           -0.001357           -1.174951
Au            1.351636           -0.001357           -1.174951
C             2.579757           -0.977336            5.981598
C             1.430257            4.551873            1.672477
C             4.202108           -0.645358            0.812900
C             0.000000            3.244102           -1.900717
P             0.000000           -3.713913            0.904099
C            -2.579757           -0.977336            5.981598
C            -2.889600            1.677019            4.915477
C            -3.505110           -0.649903            3.282894
Au           -0.000000           -0.006119           -3.757784
P            -3.692001           -0.019712           -0.855617
P             3.692001           -0.019712           -0.855617
C            -0.000000            3.684862           -3.362696
C             1.430338           -4.566636            1.677398
C            -1.430338           -4.566636            1.677398
C             0.000000           -4.378142           -0.852655
C            -3.572859            0.144026            1.971170
P             0.000000            2.231117           -4.553278
P            -0.000000           -2.244371           -4.548118
C            -4.659485           -1.072694           -2.002264
C            -4.524136            1.609872           -0.992900
C            -4.202108           -0.645358            0.812900
C             4.524136            1.609872           -0.992900
C             4.659485           -1.072694           -2.002264
C             0.000000           -3.256612           -1.894760
C            -1.436251            2.582395           -5.636752
C             1.436251            2.582395           -5.636752
C             1.436776           -2.596433           -5.630811
C            -1.436776           -2.596433           -5.630811
C             0.000000           -3.697596           -3.356716
H             3.945259            1.632614            5.235008
H             2.287124            2.090422            5.740922
H             2.798450            2.355532            4.052615
H            -1.454278            4.316602            2.749336
H            -2.368574            4.187931            1.222115
H            -1.371183            5.647271            1.546196
H             3.188192           -1.689351            3.077730
H             4.489037           -0.702695            3.787576
H             4.133176            1.082794            2.130282
H             2.540074            0.425967            1.688331
H             0.887386            5.016565           -0.971306
H            -0.887386            5.016565           -0.971306
H             3.643077           -0.936693            6.275739
H             2.297531           -2.028468            5.803826
H             1.962369           -0.598688            6.812725
H             2.368574            4.187931            1.222115
H             1.454278            4.316602            2.749336
H             1.371183            5.647271            1.546196
H             3.857343           -1.695391            0.841354
H             5.307209           -0.667338            0.877408
H            -0.868375            2.583340           -1.725034
H             0.868375            2.583340           -1.725034
H            -2.297531           -2.028468            5.803826
H            -3.643077           -0.936693            6.275739
H            -1.962369           -0.598688            6.812725
H            -2.287124            2.090422            5.740922
H            -3.945259            1.632614            5.235008
H            -2.798450            2.355532            4.052615
H            -4.489037           -0.702695            3.787576
H            -3.188192           -1.689351            3.077730
H             0.887331            4.302593           -3.595307
H            -0.887331            4.302593           -3.595307
H             2.368534           -4.207608            1.222562
H             1.367483           -5.662499            1.556527
H             1.459370           -4.327451            2.753464
H            -1.367483           -5.662499            1.556527
H            -2.368534           -4.207608            1.222562
H            -1.459370           -4.327451            2.753464
H            -0.887104           -5.029464           -0.965542
H             0.887104           -5.029464           -0.965542
H            -2.540074            0.425967            1.688331
H            -4.133176            1.082794            2.130282
H            -4.486902           -0.737678           -3.038660
H            -5.742397           -1.033268           -1.788393
H            -4.316307           -2.117387           -1.925563
H            -4.080841            2.318967           -0.275965
H            -5.608936            1.531711           -0.801324
H            -4.372026            2.014565           -2.007528
H            -3.857343           -1.695391            0.841354
H            -5.307209           -0.667338            0.877408
H             5.608936            1.531711           -0.801324
H             4.080841            2.318967           -0.275965
H             4.372026            2.014565           -2.007528
H             5.742397           -1.033268           -1.788393
H             4.486902           -0.737678           -3.038660
H             4.316307           -2.117387           -1.925563
H             0.868398           -2.595719           -1.719483
H            -0.868398           -2.595719           -1.719483
H            -1.385547            3.602688           -6.054414
H            -2.371558            2.472207           -5.064453
H            -1.456545            1.855600           -6.464384
H             2.371558            2.472207           -5.064453
H             1.385547            3.602688           -6.054414
H             1.456545            1.855600           -6.464384
H             2.371849           -2.486612           -5.058043
H             1.457882           -1.869406           -6.458174
H             1.385334           -3.616414           -6.049242
H            -1.457882           -1.869406           -6.458174
H            -2.371849           -2.486612           -5.058043
H            -1.385334           -3.616414           -6.049242
H             0.887240           -4.315501           -3.589129
H            -0.887240           -4.315501           -3.589129

115
Au7P8
Au           -2.110389           -2.726038           14.193229
H            -2.514041            4.800026           16.439529
H            -3.824797           -5.758418           14.814116
H            -1.654653           -1.082449           24.118166
Au           -4.384492           -0.329389           20.686190
H            -2.782774           -2.219135           23.308321
Au           -3.544927            0.644359           17.869208
P            -2.362438           -0.248705           21.929639
H            -3.411922           -0.733854           24.068348
H            -1.923046            3.630253           19.407487
C            -2.194361           -4.958504           19.895383
H            -3.570914            3.606943           20.098584
H            -3.041252            4.997069           19.094761
P            -3.586203            3.023755           17.735099
H             0.393365           -2.181766           19.189111
C            -1.919776            1.447895           22.441078
H             1.678763           -0.996832           19.502821
H            -3.867884            3.739469           14.664871
C            -5.063469           -4.849930           19.921185
C            -3.698128           -5.507110           17.461061
C            -7.190258           -0.685074           17.701523
H            -3.234313            2.133573           15.072431
P            -1.991221            2.040609           12.617074
C            -5.228942            3.776264           17.439767
H            -7.216695           -2.054415           22.098812
H            -8.611576           -0.937430           21.919155
H            -7.168341           -0.441210           22.860187
H            -7.097359            1.987241           21.226655
P            -1.800777           -5.008549           13.802129
H            -8.541417            1.365160           20.368503
H            -7.093289            1.888028           19.443571
C            -6.903343           -2.653455           13.890020
C            -7.189182            0.177051           14.346287
C            -7.428898           -1.698692           16.572034
C            -0.823498           -0.963597           21.206179
C            -0.362370           -0.269063           19.918374
H            -8.624682           -1.267693           19.267142
H            -7.164733           -2.276746           19.193962
H            -0.860197            3.209642           14.363058
H            -1.863447            4.349367           13.443291
H            -1.250612           -4.772305           19.359454
H            -2.280989           -6.039430           20.103394
C            -2.525645            3.695334           16.377402
Au           -3.527543           -2.060706           18.299970
P            -6.749150           -0.297258           20.470694
H            -2.154766           -4.418765           20.855759
H            -5.027907           -5.920575           20.188929
H            -5.994745           -4.656214           19.365548
Au           -4.145838           -1.162085           15.530130
Au           -1.522344           -0.941829           16.378835
C            -2.566783           -1.156071           23.501259
C            -2.974688            3.902322           19.219824
H            -5.085478           -4.252012           20.847245
H            -4.636126           -5.247538           16.935733
C             0.647868           -1.108340           19.116510
C            -2.958315            3.202937           14.987704
P            -3.617702           -4.360592           18.910820
H            -3.809218           -6.546102           17.824867
H            -6.122797           -0.390776           17.694275
H            -7.778403            0.229854           17.511606
C            -7.510839           -0.999411           21.973821
C            -7.437750            1.391648           20.363308
H            -6.406233           -2.478885           12.921819
H            -7.995694           -2.685923           13.731495
C             1.343137            0.943110           17.160460
C             1.901194           -1.828821           16.607327
C            -2.501395           -5.352479           16.508474
C            -3.417126            2.491565           11.571819
C            -0.534189            2.243072           11.543662
C            -0.077289           -5.590173           13.942689
C            -2.385294           -5.647781           12.200042
C            -2.765097           -5.909702           15.093711
H            -6.566380           -3.629631           14.274562
H            -7.030721            1.036502           15.016770
H            -8.271678            0.040815           14.178147
H            -6.707672            0.402640           13.380643
H            -7.104175           -2.706793           16.889472
H            -8.499126           -1.776761           16.301421
H             2.336413            0.990454           17.641352
H             0.677006            1.687624           17.625517
H             1.453970            1.201833           16.094421
H             2.879848           -1.666506           17.092283
H            -1.019824            1.440295           23.081015
H            -2.751833            1.889737           23.012885
H            -1.734569            2.081244           21.560836
H            -5.889244            3.569538           18.296695
H            -5.694121            3.342349           16.540749
H            -5.150761            4.870754           17.316593
H            -1.058141           -2.024087           21.003195
H            -0.038224           -0.953060           21.985631
H             0.079360            0.715048           20.157103
H            -1.252487           -0.081660           19.288043
C            -7.532199           -1.239887           19.091580
Au           -2.210912           -0.007342           13.719602
H            -1.500262            3.347843           16.600491
P            -6.434148           -1.329107           15.058220
P             0.619346           -0.730839           17.306751
C            -1.861001            3.348328           13.913023
H             1.998781           -1.635312           15.526546
H             1.604876           -2.882857           16.737674
H            -1.609722           -5.837817           16.942560
H            -2.265758           -4.273752           16.424015
H            -3.284705            3.495793           11.131865
H            -4.346287            2.471919           12.164104
H            -3.519373            1.757825           10.754942
H             0.388453            2.049173           12.113271
H            -0.492022            3.258570           11.114242
H            -0.586546            1.511600           10.720102
H             0.340783           -5.318858           14.925136
H             0.537285           -5.103491           13.166838
H            -0.015844           -6.684222           13.807788
H            -1.803522           -5.178044           11.389354
H            -3.445565           -5.385400           12.050958
H            -2.266841           -6.743007           12.134513
H            -2.570821           -6.996175           15.026179

5
BF4
F            -3.501172            0.333930            1.128442
F            -5.404377            0.333932           -0.217836
B            -4.928326            0.333987            1.128120
F            -5.404122            1.498424            1.801220
F            -5.404003           -0.831274            1.801054

231
Dimer-1'
Au           -5.692134           -7.354064            9.350724
Au           -7.994830           -5.575302           10.141492
P            -4.932334           -8.210583           11.449710
P            -9.993334           -6.835265           10.349042
C            -6.047383           -9.454276           12.185758
C           -10.788666           -7.330126            8.779142
C            -4.541788           -7.022547           12.809627
C            -5.755260           -6.239933           13.327943
C           -11.306586           -5.964997           11.330649
Au           -5.506712           -4.281600            9.873818
P            -5.961916           -7.436971            6.974305
Au           -8.035783           -2.806267            9.236191
Au           -7.415160           -3.301027           11.931827
C            -3.361433           -9.110144           11.194489
C            -9.770613           -8.418446           11.235896
C            -5.359399           -4.988976           14.131892
C           -12.312295           -5.119816           10.527879
P            -3.611279           -2.800137            9.688528
C            -4.493041           -8.220835            6.221553
C            -7.356207           -8.484121            6.434756
C            -6.134176           -5.850115            6.045002
Au          -10.036802           -2.588496           11.224098
P            -8.386413           -2.442560            6.923892
P            -6.679423           -3.692561           14.152636
C           -13.084251           -4.134816           11.436213
C            -3.819128           -1.771587            8.183408
C            -3.715197           -1.577429           11.051654
C            -1.807052           -3.288995            9.636499
C            -7.395703           -5.046722            6.386677
P           -12.328625           -2.452066           11.564559
P             2.139286           -1.558914            9.734125
C            -8.056212           -0.783708            6.237916
C           -10.094203           -2.817735            6.395369
C            -7.301141           -3.575499            5.944477
C            -7.977008           -4.322208           15.271877
C            -5.936057           -2.290664           15.054865
C            -0.750797           -2.155711            9.665697
C           -13.140228           -1.447365           10.280026
C           -12.864576           -1.750238           13.153692
C             1.995048           -1.054879           11.499859
C             3.488763           -2.807802            9.836169
C             0.675284           -2.719517            9.513945
H            -5.582326           -9.906367           13.079255
H            -6.246921          -10.258074           11.458036
H            -7.006499           -8.999498           12.473720
H           -10.107152           -7.979880            8.210377
H           -11.022869           -6.448921            8.162839
H           -11.719895           -7.890880            8.968105
H            -3.790450           -6.329241           12.388571
H            -4.044715           -7.588435           13.620076
H            -6.388269           -6.896142           13.950175
H            -6.367089           -5.928273           12.459500
H           -10.768460           -5.333883           12.061258
H           -11.851686           -6.735603           11.908500
H            -3.014399           -9.558783           12.142000
H            -2.585174           -8.429509           10.811372
H            -3.507278           -9.919560           10.460459
H            -9.418481           -8.234005           12.263266
H            -9.028961           -9.044406           10.714213
H           -10.725733           -8.970213           11.287039
H            -4.484426           -4.502827           13.661744
H            -5.069769           -5.241283           15.169206
H           -13.040959           -5.787259           10.036304
H           -11.805060           -4.563313            9.718426
H            -3.589660           -7.627180            6.432200
H            -4.618973           -8.308247            5.128372
H            -4.349279           -9.230568            6.639592
H            -7.246473           -9.498836            6.851293
H            -7.376345           -8.559946            5.333354
H            -8.313843           -8.068109            6.779125
H            -6.079756           -6.083158            4.964228
H            -5.230752           -5.263549            6.293733
H           -13.183960           -4.540894           12.458628
H           -14.115267           -3.986255           11.064442
H            -3.678598           -2.392342            7.283748
H            -3.108159           -0.929285            8.153731
H            -4.843562           -1.367607            8.166755
H            -3.020672           -0.733112           10.906180
H            -3.495634           -2.064138           12.015657
H            -4.744074           -1.185809           11.097544
H            -1.685457           -3.903186            8.725186
H            -1.640068           -3.976912           10.485806
H            -7.549402           -5.083932            7.482810
H            -8.279240           -5.519449            5.923091
H            -8.710965           -0.041338            6.724033
H            -8.247249           -0.761741            5.150797
H            -7.010377           -0.491852            6.426248
H           -10.377460           -3.838318            6.695778
H           -10.195423           -2.725335            5.300048
H           -10.791908           -2.110776            6.872962
H            -6.273902           -3.198090            6.103477
H            -7.523751           -3.455211            4.867833
H            -7.558840           -4.550608           16.267942
H            -8.438004           -5.232342           14.857237
H            -8.765526           -3.561188           15.389101
H            -5.595911           -2.600588           16.057346
H            -6.681094           -1.486363           15.171140
H            -5.081036           -1.885208           14.490746
H            -0.831853           -1.609609           10.621046
H            -0.945321           -1.426224            8.859543
H           -14.230605           -1.418473           10.454896
H           -12.951554           -1.872675            9.281151
H           -12.752581           -0.416684           10.303674
H           -12.431129           -2.313340           13.994663
H           -13.965901           -1.785795           13.231737
H           -12.540313           -0.699566           13.227644
H             1.171075           -0.338421           11.652689
H             2.931970           -0.557046           11.802255
H             1.841436           -1.930594           12.155106
H             4.442142           -2.293020           10.033779
H             3.581281           -3.343676            8.877967
H             3.301582           -3.537917           10.642419
H             0.835933           -3.529113           10.253507
H             0.796313           -3.182548            8.516848
Au            2.937805            0.309389            8.147023
Au            8.074640            1.272067           10.566370
P             3.807108           -0.493876            6.046517
P             8.523727            0.456330           12.729064
C             2.791733           -1.873548            5.389356
C             7.188276           -0.560834           13.450867
C             5.545388           -1.056439            5.761797
C             5.959410           -2.368066            6.438393
C             8.727265            1.836920           13.934202
Au            8.189978            2.934740            8.318932
P             1.849395            2.426614            8.639930
Au            6.890780            5.590164            8.611199
Au            8.273750            0.179010            7.931771
C             3.613388            0.798690            4.760084
C            10.023585           -0.571969           12.872422
C             7.410430           -2.750782            6.085634
C             9.829069            2.842571           13.563786
P             9.358009            3.694339            6.369319
C             0.044171            2.242586            8.359672
C             1.927785            3.058676           10.358589
C             2.219661            3.898959            7.568017
Au           11.245962            6.140522           11.700109
P             5.246942            6.847740            7.475291
P             8.719468           -1.989705            7.145267
C             9.683384            4.148733           14.352510
C            10.740964            2.586924            5.927277
C             8.344228            3.804621            4.852819
C            10.108047            5.372350            6.528664
C             3.470768            4.684697            7.972645
P            10.939951            5.438876           13.961804
P            12.103151            7.225595            9.749743
C             5.755035            7.730831            5.962941
C             4.477468            8.115351            8.537599
C             3.856510            5.751728            6.937145
C             8.908127           -3.146104            8.546682
C            10.256630           -2.163399            6.181668
C            11.071195            5.520368            7.717654
C            10.488380            6.852011           15.019146
C            12.520962            4.818155           14.626007
C            13.837688            6.750771            9.454500
C            12.121428            9.030251           10.004012
C            11.210113            6.982621            8.156957
H             3.145586           -2.192697            4.393236
H             1.743826           -1.544055            5.296214
H             2.820608           -2.737922            6.071068
H             7.031571           -1.462362           12.837948
H             6.249074            0.014757           13.477843
H             7.448816           -0.872506           14.477014
H             6.211218           -0.232934            6.086241
H             5.658187           -1.153225            4.664180
H             5.301694           -3.187287            6.097357
H             5.827068           -2.293925            7.534028
H             8.908764            1.400784           14.935421
H             7.744250            2.342565           13.978563
H             3.864774            0.415350            3.755439
H             4.264355            1.657132            4.991766
H             2.569144            1.150415            4.747478
H            10.907932           -0.020243           12.516092
H             9.914781           -1.477269           12.254066
H            10.186861           -0.877888           13.921248
H             7.632339           -2.472855            5.039214
H             7.555300           -3.845570            6.148506
H             9.779031            3.067531           12.479564
H            10.819828            2.389966           13.747411
H            -0.148174            2.038296            7.293896
H            -0.493377            3.164381            8.644786
H            -0.344492            1.398877            8.952109
H             1.494756            2.303571           11.035032
H             1.362563            3.999581           10.473336
H             2.975845            3.219195           10.659757
H             1.328972            4.557130            7.583636
H             2.314111            3.517142            6.535236
H             9.744333            3.965987           15.442639
H             8.693426            4.604370           14.162649
H            11.448287            2.500100            6.767523
H            11.278829            2.967074            5.040868
H            10.349629            1.580818            5.707914
H             8.959892            4.113534            3.989510
H             7.532452            4.535401            4.994926
H             7.896149            2.822079            4.634028
H             9.254475            6.066803            6.642563
H            10.608206            5.628345            5.575072
H             4.322144            3.992312            8.109299
H             3.294809            5.158873            8.955237
H             6.491783            8.511525            6.211813
H             4.884402            8.215881            5.488234
H             6.211346            7.035767            5.240953
H             4.031754            7.654605            9.433110
H             3.692013            8.654300            7.979266
H             5.235110            8.843293            8.868420
H             4.163457            5.275281            5.987520
H             2.998679            6.410307            6.699402
H             9.148879           -4.159938            8.183288
H             7.979232           -3.186176            9.137758
H             9.724194           -2.805100            9.203543
H            10.411677           -3.215536            5.882923
H            11.118187           -1.841140            6.789304
H            10.215983           -1.539031            5.274757
H            12.057883            5.098581            7.458195
H            10.689942            4.927087            8.574798
H            10.423173            6.532418           16.073384
H             9.521584            7.279449           14.709173
H            11.256424            7.638387           14.942228
H            12.868507            3.930011           14.074850
H            12.405799            4.562782           15.694417
H            13.295132            5.597893           14.540300
H            13.930681            5.671758            9.256048
H            14.446480            6.990604           10.341860
H            14.242870            7.314723            8.595739
H            12.701240            9.277409           10.907974
H            11.097896            9.418052           10.130243
H            12.594772            9.530739            9.141752
H            11.727782            7.588807            7.388926
H            10.210646            7.434175            8.301072
Ag            8.912514            4.834538           10.443803
Ag            5.673216            1.352768            8.819130
Ag            6.391477            3.538143           10.464481

231
Dimer-1
Au           -7.065461           -4.511751            5.618547
Au           -9.248731           -2.559940            6.272089
P            -6.698843           -5.589233            7.717390
P           -11.402520           -3.544536            6.129748
C            -8.047380           -6.723892            8.191889
C           -12.074192           -3.700989            4.434726
C            -6.364852           -4.557599            9.211798
C            -7.539117           -3.665874            9.634513
C           -12.682300           -2.620990            7.116946
Au           -6.647605           -1.487724            6.380878
P            -7.085679           -4.399251            3.232973
Au           -8.971534            0.264641            5.590128
Au           -8.719642           -0.477958            8.278879
C            -5.227025           -6.664152            7.594107
C           -11.489970           -5.247382            6.788035
C            -7.109243           -2.515237           10.561128
C           -13.610941           -1.680782            6.326038
P            -4.623699           -0.185010            6.443003
C            -5.640197           -5.289117            2.557805
C            -8.520220           -5.260098            2.502265
C            -7.010744           -2.752314            2.401825
Au          -11.149578            0.589174            7.366023
P            -8.995292            0.816842            3.288337
P            -8.275858           -1.080450           10.530122
C           -14.325938           -0.663279            7.244132
C            -4.549630            0.888255            4.958916
C            -4.766292            1.014827            7.821780
C            -2.887705           -0.872829            6.585397
C            -8.212115           -1.841229            2.685021
P           -13.439199            0.943984            7.441925
P             1.217969            0.240999            7.334219
C            -8.409841            2.470566            2.784312
C           -10.659422            0.686271            2.544873
C            -7.931782           -0.366817            2.345069
C            -9.745254           -1.620592           11.469720
C            -7.483772            0.166817           11.603647
C            -1.704672            0.115346            6.766619
C           -13.998244            1.982226            6.052834
C           -14.097393            1.721381            8.947913
C             0.779713            0.931770            8.983671
C             2.226426           -1.231289            7.794434
C            -0.364988           -0.651007            6.822920
H            -7.784231           -7.269067            9.114809
H            -8.214932           -7.460229            7.388371
H            -8.983384           -6.171104            8.354584
H           -11.431830           -4.372206            3.845736
H           -12.103177           -2.722546            3.931492
H           -13.091496           -4.126933            4.448673
H            -5.488491           -3.935514            8.951120
H            -6.049632           -5.235660           10.027881
H            -8.317559           -4.274551           10.128336
H            -7.997508           -3.234399            8.723835
H           -12.119429           -2.056021            7.881991
H           -13.296730           -3.371348            7.649364
H            -5.076621           -7.226008            8.532008
H            -4.327775           -6.063561            7.385870
H            -5.359189           -7.385228            6.771002
H           -11.249871           -5.252298            7.863361
H           -10.767955           -5.892987            6.263270
H           -12.503381           -5.664749            6.654767
H            -6.139968           -2.102461           10.223939
H            -6.968916           -2.855851           11.604410
H           -14.378306           -2.282003            5.808516
H           -13.054326           -1.145406            5.536451
H            -4.701628           -4.813707            2.885832
H            -5.672925           -5.295616            1.454455
H            -5.642439           -6.332212            2.911623
H            -8.530270           -6.311940            2.831402
H            -8.460893           -5.241666            1.399980
H            -9.462495           -4.788821            2.817326
H            -6.880275           -2.932639            1.318043
H            -6.078336           -2.280659            2.763643
H           -14.490601           -1.088707            8.250577
H           -15.328580           -0.420296            6.845812
H            -4.375436            0.274868            4.060405
H            -3.754832            1.648664            5.033901
H            -5.517390            1.401466            4.842471
H            -3.986035            1.792418            7.782879
H            -4.708405            0.491111            8.789896
H            -5.753541            1.501961            7.764035
H            -2.733388           -1.493230            5.682733
H            -2.909709           -1.579856            7.435544
H            -8.465438           -1.920764            3.760040
H            -9.092839           -2.195310            2.120442
H            -9.036737            3.244572            3.257923
H            -8.468945            2.592497            1.689074
H            -7.368511            2.626055            3.109531
H           -11.084553           -0.314387            2.722044
H           -10.622688            0.874271            1.457387
H           -11.327567            1.431634            3.007231
H            -6.893902           -0.106072            2.622678
H            -8.032909           -0.168602            1.261968
H            -9.463464           -1.932776           12.490296
H           -10.242867           -2.461005           10.961494
H           -10.465025           -0.788920           11.543502
H            -7.296001           -0.244039           12.611082
H            -8.140288            1.047439           11.699230
H            -6.529343            0.498230           11.163453
H            -1.850826            0.682336            7.702088
H            -1.683309            0.850556            5.943242
H           -15.089845            2.139665            6.110073
H           -13.758415            1.498983            5.092418
H           -13.498009            2.963682            6.086960
H           -13.817205            1.136664            9.838033
H           -15.198838            1.783297            8.891173
H           -13.693212            2.741554            9.052865
H             0.114643            1.803356            8.873536
H             1.704849            1.278335            9.475301
H             0.290906            0.183691            9.633077
H             3.191506           -0.897294            8.209881
H             2.434827           -1.834606            6.896091
H             1.715473           -1.869336            8.537202
H            -0.457475           -1.480591            7.551323
H            -0.159094           -1.123204            5.844014
Au           10.086499            4.127618           13.765764
Au            7.156282            5.670597            9.095965
P            12.231236            5.060304           13.307720
P             5.638294            7.449309            8.818031
C            12.535256            6.539267           14.328091
C             5.482280            8.566019           10.250931
C            12.745277            5.463997           11.578700
C            12.402530            6.873149           11.076393
C             3.913460            6.865853            8.521259
Au            8.177313            3.088685            8.580754
P             8.380968            3.005922           14.996838
Au            6.726523            0.790672            9.879179
Au            9.942413            5.285042            8.672069
C            13.466807            3.833529           13.855806
C             6.051993            8.536695            7.411605
C            12.898517            7.079553            9.625857
C             3.755182            5.866221            7.367626
P             9.245458            1.578451            7.081907
C             8.782671            3.140428           16.771818
C             6.665088            3.608376           14.846604
C             8.353180            1.193664           14.646364
Au            2.814396            1.830023            6.041570
P             7.295196           -1.067874           11.226179
P            11.623385            6.897612            8.307135
C             2.306924            5.376867            7.257258
C            10.142737            2.457631            5.756337
C            10.515650            0.521021            7.858515
C             8.130706            0.380549            6.226545
C             7.733456            0.841822           13.285524
P             1.991530            4.111766            5.942452
P             4.303430            0.716306            4.489614
C             8.378865           -2.345380           10.502157
C             5.820479           -1.982957           11.795729
C             8.156143           -0.545180           12.780587
C            10.846308            8.546180            8.189803
C            12.561360            6.698348            6.756620
C             6.959798            1.020473            5.471908
C             0.158700            4.130972            5.835705
C             2.488448            4.948425            4.388689
C             4.759953            1.819791            3.099420
C             3.483876           -0.691546            3.649600
C             5.915993           -0.014158            5.034532
H            13.572511            6.894362           14.197973
H            12.391322            6.283256           15.391174
H            11.837376            7.352890           14.075923
H             6.454653            9.035041           10.470916
H             5.157828            8.004177           11.141128
H             4.749004            9.364574           10.042120
H            12.303314            4.694011           10.918967
H            13.842960            5.323070           11.547115
H            12.890956            7.624604           11.719961
H            11.314710            7.060229           11.151732
H             3.284746            7.761785            8.355422
H             3.574699            6.411361            9.471017
H            14.478698            4.273569           13.821558
H            13.443370            2.941884           13.208574
H            13.262352            3.520180           14.892097
H             6.105555            7.965483            6.471909
H             7.037062            8.999989            7.583848
H             5.304255            9.341549            7.304032
H            13.718745            6.377369            9.390712
H            13.321076            8.094085            9.497168
H             4.432849            5.004370            7.527697
H             4.061137            6.341947            6.418452
H             9.775380            2.706381           16.977664
H             8.030886            2.608939           17.382361
H             8.796490            4.199256           17.078943
H             6.621241            4.656195           15.186403
H             5.986605            3.007123           15.475540
H             6.335288            3.570064           13.796289
H             7.818137            0.690995           15.473662
H             9.405135            0.858365           14.700307
H             1.630677            6.228813            7.051654
H             1.978949            4.931157            8.214819
H             9.457133            3.082020            5.163207
H            10.649394            1.738137            5.088894
H            10.899930            3.118365            6.208478
H            11.011274           -0.112617            7.101880
H            10.057276           -0.123076            8.623849
H            11.278469            1.151598            8.343283
H             7.748564           -0.284712            7.023081
H             8.749241           -0.240484            5.550598
H             8.034951            1.588405           12.527966
H             6.632536            0.906573           13.359993
H             7.895462           -2.805500            9.625625
H             8.587658           -3.138605           11.241685
H             9.334966           -1.903622           10.181868
H             5.175147           -1.326462           12.399890
H             6.123258           -2.849354           12.410318
H             5.241132           -2.348215           10.932453
H             9.242094           -0.559027           12.573222
H             7.969933           -1.329043           13.539595
H            11.609889            9.310191            7.961581
H            10.355234            8.811035            9.140237
H            10.091404            8.552884            7.388340
H            13.292238            7.518764            6.642345
H            11.876353            6.719984            5.893270
H            13.102829            5.738199            6.753601
H             7.329877            1.576388            4.592257
H             6.473566            1.769584            6.133450
H            -0.218062            5.144350            5.611412
H            -0.277662            3.789291            6.788408
H            -0.170723            3.448389            5.035753
H             3.583923            5.035456            4.325839
H             2.039623            5.954344            4.308838
H             2.151573            4.349848            3.525947
H             5.318051            2.694606            3.468383
H             3.846241            2.186160            2.603298
H             5.373584            1.288269            2.350083
H             2.524717           -0.360369            3.218250
H             3.281505           -1.502811            4.367514
H             4.113417           -1.084703            2.831728
H             6.300846           -0.632021            4.200507
H             5.684672           -0.704835            5.866600
Ag            5.166353            2.351271            8.104561
Ag            8.729778            4.262850           11.178079
Ag            6.108569            3.454680           10.521956

231
Dimer-2
Au           -9.330037           -5.814193            4.656283
Au          -11.285799           -3.605114            5.401022
P            -8.944265           -6.877203            6.760509
P           -13.546097           -4.307770            5.539977
C           -10.363626           -7.847430            7.375124
C           -14.246572           -5.088281            4.043252
C            -8.405712           -5.835055            8.188642
C            -9.458109           -4.823177            8.657325
C           -14.746382           -2.973510            5.991734
Au           -8.595218           -2.898901            5.291481
P            -9.472506           -5.755077            2.272534
Au          -10.637731           -0.825885            4.625532
Au          -10.385560           -1.519765            7.309825
C            -7.603986           -8.109667            6.596871
C           -13.823626           -5.552394            6.851394
C            -8.864380           -3.704708            9.532803
C           -15.013127           -1.931727            4.897554
P            -6.420568           -1.870079            5.263053
C            -8.224165           -6.870800            1.540335
C           -11.067048           -6.375842            1.636836
C            -9.185736           -4.148680            1.405519
Au          -12.632547           -0.082475            6.461160
P           -10.630616           -0.325861            2.313999
P            -9.895948           -2.167634            9.534438
C           -15.798491           -0.700003            5.386357
C            -6.324481           -0.624921            3.920631
C            -6.260095           -0.857124            6.785016
C            -4.803384           -2.802056            5.141208
C           -10.221052           -3.067103            1.736878
P           -14.894821            0.436365            6.546050
P            -0.605147           -2.346945            5.868841
C            -9.826965            1.223809            1.776773
C           -12.306767           -0.233586            1.592545
C            -9.752157           -1.650206            1.365540
C           -11.367322           -2.570414           10.540552
C            -8.958907           -0.988943           10.569059
C            -3.484346           -2.009109            5.316372
C           -15.349819            2.124531            6.038230
C           -15.634194            0.225538            8.200233
C            -0.947254           -1.320064            7.343235
C             0.148114           -3.875558            6.534381
C            -2.272273           -2.963496            5.288665
H           -10.093807           -8.377986            8.304829
H           -10.660955           -8.594440            6.621858
H           -11.225334           -7.194004            7.572563
H           -13.680712           -6.001347            3.801049
H           -14.189843           -4.404254            3.181893
H           -15.303232           -5.366494            4.205368
H            -7.497441           -5.306744            7.843596
H            -8.094945           -6.512140            9.007029
H           -10.260328           -5.341968            9.210885
H            -9.924317           -4.364367            7.764147
H           -14.322986           -2.496784            6.895143
H           -15.690343           -3.467961            6.293427
H            -7.440078           -8.637925            7.551897
H            -6.665399           -7.621394            6.288023
H            -7.874062           -8.851638            5.828676
H           -13.511463           -5.151185            7.828821
H           -13.236102           -6.458111            6.638830
H           -14.889260           -5.834766            6.906007
H            -7.884456           -3.391516            9.127105
H            -8.691941           -4.041200           10.572631
H           -15.597663           -2.397303            4.083634
H           -14.056243           -1.593067            4.457488
H            -7.207508           -6.538109            1.802396
H            -8.321569           -6.898450            0.441047
H            -8.362220           -7.893007            1.928729
H           -11.242375           -7.400625            2.003930
H           -11.060691           -6.397388            0.532978
H           -11.895008           -5.737643            1.979924
H            -9.139007           -4.352222            0.318476
H            -8.176652           -3.820301            1.715463
H           -16.747111           -0.999121            5.870396
H           -16.081391           -0.084116            4.513292
H            -6.327789           -1.127255            2.939360
H            -5.426944            0.012094            3.994770
H            -7.217412            0.018590            3.978042
H            -5.403467           -0.163337            6.750757
H            -6.162846           -1.514460            7.664784
H            -7.185012           -0.270288            6.907521
H            -4.818532           -3.316868            4.161867
H            -4.859548           -3.603319            5.901627
H           -10.421158           -3.098190            2.825299
H           -11.175967           -3.289640            1.229534
H           -10.329528            2.084775            2.246349
H            -9.880061            1.341023            0.680673
H            -8.770951            1.233047            2.089634
H           -12.854579           -1.171087            1.773627
H           -12.261819           -0.047498            0.505305
H           -12.866497            0.588375            2.067366
H            -8.683524           -1.526965            1.622593
H            -9.847132           -1.456157            0.280984
H           -11.076756           -2.901319           11.552483
H           -11.958986           -3.364319           10.057620
H           -12.005838           -1.676555           10.632536
H            -8.746128           -1.418516           11.563455
H            -9.549959           -0.068573           10.704549
H            -8.011179           -0.713275           10.078880
H            -3.512482           -1.474936            6.281478
H            -3.384159           -1.246627            4.524611
H           -16.446243            2.252541            6.069005
H           -14.992141            2.331372            5.017191
H           -14.891720            2.857025            6.722802
H           -15.451617           -0.789281            8.587622
H           -16.723620            0.401892            8.158902
H           -15.188567            0.952567            8.898451
H            -1.434613           -0.374922            7.054594
H             0.006249           -1.074946            7.838551
H            -1.587513           -1.856963            8.064362
H             1.142953           -3.656619            6.954714
H             0.278175           -4.611164            5.722903
H            -0.484431           -4.321266            7.321250
H            -2.473795           -3.821343            5.958522
H            -2.129758           -3.388712            4.278600
Au           11.519712            3.532268           12.082653
Au            7.650909            5.583908            8.542142
P            13.428741            4.840466           11.521366
P             6.323410            7.443074            9.120604
C            13.315633            6.552951           12.136820
C             6.483843            8.064191           10.826987
C            13.919396            4.960047            9.750648
C            12.883319            5.648454            8.856347
C             4.559195            6.918709            8.960829
Au            7.722043            3.039176            7.331018
P            10.138934            2.112428           13.410861
Au            6.867830            0.728316            8.838101
Au            9.850358            4.811791            6.899313
C            14.884205            4.120516           12.352046
C             6.517503            8.923872            8.073166
C            13.211254            5.502210            7.362788
C             4.215893            6.425871            7.546085
P             7.691127            1.965505            5.175015
C            10.900185            1.926126           15.058956
C             8.450032            2.721388           13.753136
C             9.956055            0.381774           12.783441
Au            1.053443           -1.375333            4.458327
P             7.692377           -1.351492            9.654191
P            11.814862            5.953983            6.245142
C             2.899939            5.639394            7.435030
C             7.329622            3.165316            3.841577
C             9.369848            1.355947            4.774349
C             6.657496            0.469267            4.728122
C             8.911601            0.239300           11.669189
P             2.893084            3.949537            8.211960
P             2.886739           -0.720176            3.093952
C             8.393340           -2.555391            8.468949
C             6.419156           -2.296064           10.565125
C             9.049318           -1.074656           10.885297
C            11.629776            7.765347            6.361293
C            12.435676            5.641879            4.559450
C             5.148257            0.631889            4.445394
C             2.044401            4.175773            9.822786
C             1.626921            3.045473            7.229165
C             2.645130            0.863628            2.217908
C             3.046910           -1.967718            1.769599
C             4.612129           -0.667297            3.804679
H            14.263124            7.085524           11.944798
H            13.136322            6.549767           13.224727
H            12.490210            7.096221           11.652385
H             7.501096            8.458979           10.984283
H             6.309006            7.252459           11.550878
H             5.761925            8.879541           11.011992
H            14.104102            3.925356            9.406874
H            14.893032            5.485825            9.715196
H            12.799800            6.716876            9.123901
H            11.885614            5.197983            9.053215
H             3.901760            7.755179            9.267583
H             4.431771            6.114493            9.708772
H            15.775826            4.744464           12.168166
H            15.081024            3.101310           11.982398
H            14.714933            4.070615           13.440041
H             6.344265            8.684322            7.012597
H             7.543166            9.314736            8.171523
H             5.813530            9.713869            8.388589
H            13.464665            4.452018            7.127231
H            14.091583            6.112200            7.083939
H             5.043972            5.794456            7.167028
H             4.148993            7.294880            6.866645
H            11.894867            1.459235           14.972908
H            10.267016            1.295371           15.706826
H            11.022870            2.911927           15.536575
H             8.515505            3.686328           14.283114
H             7.893504            2.010855           14.388477
H             7.901664            2.884594           12.809735
H             9.705766           -0.265156           13.645443
H            10.955680            0.068532           12.432556
H             2.671036            5.483355            6.364832
H             2.052674            6.214892            7.854261
H             6.333764            3.618510            3.970772
H             7.384865            2.680824            2.850705
H             8.072858            3.977441            3.880060
H             9.429239            0.983460            3.737326
H             9.653131            0.545272            5.464771
H            10.088631            2.181050            4.903999
H             6.822235           -0.278426            5.525449
H             7.148129            0.071580            3.817980
H             9.008200            1.078505           10.953783
H             7.900075            0.318628           12.107834
H             7.615104           -2.883773            7.761645
H             8.783524           -3.443644            8.995429
H             9.213887           -2.095051            7.895940
H             5.974176           -1.674628           11.358845
H             6.859029           -3.201226           11.018365
H             5.614657           -2.601118            9.876735
H            10.004190           -1.083830           10.328443
H             9.068657           -1.950752           11.561414
H            12.581680            8.268589            6.116826
H            11.317761            8.057954            7.375864
H            10.861611            8.107202            5.648821
H            13.360322            6.216375            4.377013
H            11.680143            5.954312            3.820510
H            12.649424            4.570614            4.415830
H             4.990621            1.474180            3.748914
H             4.605742            0.870078            5.378069
H             1.085758            4.705362            9.687339
H             2.668206            4.761574           10.515310
H             1.851275            3.194319           10.286208
H             1.998126            2.867435            6.206362
H             0.680570            3.611364            7.174452
H             1.431087            2.068404            7.702817
H             2.539560            1.699770            2.926883
H             1.721590            0.804691            1.618894
H             3.486835            1.064857            1.532631
H             2.081250           -2.099475            1.255936
H             3.344843           -2.939849            2.195404
H             3.801783           -1.655376            1.028250
H             5.253970           -0.926304            2.940170
H             4.697602           -1.514130            4.510008
Ag            5.050648            2.815006            8.379673
Ag            9.808193            3.945529            9.684712
Ag            7.193214            3.215229           10.105832

231
Dimer-3
Au            4.062856           27.930027           35.486449
Au            6.464166           25.964699           31.047245
P             4.861985           26.425716           37.158868
P             8.544649           26.811130           30.334784
C             6.668988           26.501522           37.396552
C             9.177721           28.244502           31.268642
C             4.437888           24.643371           36.960757
C             5.108301           23.995990           35.743418
C             8.395813           27.403297           28.595936
P             3.207093           29.965870           34.609341
Au            1.885637           27.174361           28.985719
Au            4.920049           23.935895           32.175683
C             4.144556           26.891087           38.770719
C             9.909844           25.602339           30.361561
C             4.447045           22.671973           35.331732
C             8.011128           26.299190           27.599174
C             2.728827           31.019012           36.023114
C             4.422046           30.960138           33.678656
C             1.672745           29.907802           33.583187
P             0.553860           29.026368           29.615950
P             4.987565           22.091363           33.665433
C             7.587085           26.808885           26.212689
C             1.848468           29.447365           32.129803
P             5.911793           27.593900           26.093166
C            -1.198722           28.873531           29.131850
C             1.110103           30.600542           28.877123
C             0.484859           29.327069           31.434330
C             6.661941           21.398330           33.886948
C             3.924430           20.651631           33.305128
C             6.148434           29.395561           26.342338
C             5.540283           27.487833           24.303329
H             6.977745           25.825940           38.213373
H             6.963994           27.528346           37.667441
H             7.199798           26.221450           36.473692
H             9.346097           27.959991           32.320419
H             8.454596           29.074500           31.244536
H            10.136541           28.588806           30.842763
H             3.336608           24.593176           36.877127
H             4.711689           24.125901           37.899956
H             6.181539           23.836243           35.949192
H             5.050467           24.695867           34.885762
H             9.348703           27.885661           28.303906
H             7.633053           28.200351           28.626481
H             4.514038           26.220051           39.565569
H             3.045037           26.829283           38.735824
H             4.427365           27.924547           39.027947
H             9.649971           24.698705           29.789973
H            10.117851           25.305183           31.402457
H            10.825504           26.050306           29.937116
H             3.350375           22.798392           35.267179
H             4.635716           21.869715           36.070398
H             7.192975           25.681650           28.019289
H             8.873121           25.622910           27.458310
H             1.926667           30.538207           36.606119
H             2.373743           32.002839           35.669619
H             3.594015           31.176148           36.687211
H             5.285779           31.172302           34.330389
H             3.981645           31.922447           33.364076
H             4.784341           30.410539           32.796038
H             1.243348           30.927782           33.605871
H             0.958078           29.255451           34.118662
H             7.549750           25.949229           25.518198
H             8.331428           27.510017           25.790485
H             2.370879           28.469912           32.092804
H             2.487342           30.172602           31.594063
H            -1.280793           28.782455           28.036837
H            -1.768442           29.762576           29.454527
H            -1.645768           27.978444           29.592631
H             2.154079           30.816612           29.152322
H             0.468830           31.435322           29.211041
H             1.051758           30.533032           27.778660
H            -0.099736           28.499455           31.876457
H            -0.111152           30.248933           31.580575
H             6.652736           20.606197           34.655789
H             7.370067           22.183931           34.192692
H             7.018657           20.964918           32.938340
H             4.016444           19.896265           34.104829
H             4.227288           20.191743           32.350130
H             2.871139           20.965274           33.230597
H             6.927515           29.778849           25.661360
H             6.436905           29.628389           27.378050
H             5.205836           29.922764           26.123228
H             5.401650           26.438076           23.998068
H             6.365054           27.924926           23.713883
H             4.616949           28.044091           24.076242
Ag            4.236973           26.597953           27.534050
Ag            4.358599           26.641507           32.874598
Ag            3.865226           25.526326           30.130579
Au            2.245962           24.638313           27.913953
P             1.062284           22.661452           27.200126
C             1.873120           21.157895           27.863271
C            -0.589007           22.691209           27.991310
C             0.727733           22.280503           25.398546
P            -1.341186           19.195136           23.242492
C            -0.100443           21.000504           25.127177
C            -0.452212           17.810245           24.039382
C            -2.902727           19.361769           24.179472
C            -0.352122           20.732075           23.622010
H             2.837752           20.996170           27.354659
H             1.244981           20.259791           27.745182
H             2.077224           21.303266           28.936293
H            -1.121585           21.731856           27.885275
H            -1.199191           23.496777           27.550300
H            -0.469556           22.906696           29.065252
H             1.713699           22.222483           24.901667
H             0.225049           23.171556           24.980564
H            -1.071589           21.082978           25.644133
H             0.424151           20.134190           25.563178
H             0.544313           17.678903           23.586073
H            -1.020435           16.879861           23.879426
H            -0.342832           17.963006           25.124741
H            -3.523879           18.469239           24.002600
H            -3.467345           20.240548           23.826577
H            -2.729265           19.451556           25.263935
H            -0.892477           21.575791           23.154596
H             0.602524           20.632571           23.073252
Au           -7.228162            7.316805           14.164219
H            -5.363310           15.411903           16.777765
H           -10.527405            4.591108           14.302315
H           -11.537467           12.512825           20.854473
Au           -9.711581           12.907441           16.791516
H           -12.237313           12.075709           19.262998
Au           -6.851097           11.860275           16.350615
P            -9.824452           12.371161           19.109567
H           -11.765748           13.764136           19.587454
H            -4.082154           13.709212           14.751439
C           -12.149460            8.947174           16.693034
H            -3.537564           12.080181           15.215959
H            -2.695063           13.512014           15.879011
P            -4.868662           13.063659           16.976813
H            -8.748306            8.170354           19.077023
C            -8.715231           13.398246           20.145514
H            -7.861652            8.268877           20.608729
H            -2.813813           15.308845           17.371930
C           -12.079212            9.913780           13.995487
C           -10.857243            7.381467           14.588931
C            -8.480087           13.112716           12.926347
H            -3.302905           15.020268           19.053639
P            -2.340709           18.068235           18.720804
C            -3.940249           12.150911           18.267451
H           -12.665510           13.493095           14.763995
H           -12.399334           15.057970           13.931494
H           -12.437623           14.978766           15.723229
H            -9.844520           16.376457           15.721245
P            -8.260779            5.282956           13.721896
H            -9.927925           16.381699           13.931346
H            -8.471618           15.741326           14.765935
C            -6.854818           10.037940           10.383446
C            -5.366376           12.290857           11.412841
C            -8.285937           12.154776           11.735176
C            -9.509404           10.633280           19.655113
C            -8.048378           10.183038           19.526376
H           -10.384763           14.102612           12.432247
H           -10.549771           12.490875           13.153837
H            -4.595281           17.201076           19.053535
H            -4.198595           17.437408           17.346079
H           -11.657357            8.408407           17.516828
H           -13.074811            8.410316           16.420345
C            -4.932262           14.822905           17.609049
Au           -8.999392           10.232177           15.680278
P           -10.315709           14.150670           14.855605
H           -12.420563            9.954389           17.047565
H           -13.016125            9.351656           13.839682
H           -11.544309            9.976995           13.034321
Au           -6.644733           10.040832           13.919324
Au           -6.508334            8.850241           16.425905
C           -11.493439           12.711991           19.769671
C            -3.678507           13.110245           15.583790
H           -12.336161           10.933558           14.320674
H           -10.246706            7.496683           13.674880
C            -7.886520            8.652792           19.572304
C            -3.621740           15.484254           18.103067
P           -11.029423            9.097972           15.253796
H           -11.858120            7.034714           14.267933
H            -8.051564           12.646190           13.834257
H            -7.921429           14.049522           12.749996
C           -12.120471           14.449938           14.809747
C            -9.569169           15.819886           14.811470
H            -5.934856            9.438493           10.294286
H            -6.998852           10.606447            9.449241
C            -4.971610            8.495481           19.687923
C            -6.507683            6.223642           18.802419
C           -10.211927            6.372561           15.549518
C            -0.906205           17.324210           17.872407
C            -2.679545           19.610749           17.801592
C            -7.212741            3.818011           13.996424
C            -8.909728            5.069644           12.028736
C            -9.714417            5.084023           14.866465
H            -7.701253            9.344878           10.515022
H            -5.262747           13.060564           12.193549
H            -5.538189           12.782197           10.439466
H            -4.420196           11.727313           11.357018
H            -9.100506           11.407485           11.718397
H            -8.324235           12.684628           10.764579
H            -5.065926            8.057291           20.696469
H            -4.900296            9.589803           19.778583
H            -4.039764            8.125588           19.229323
H            -6.531136            5.913635           19.861259
H            -8.842651           13.155053           21.214686
H            -8.958135           14.462573           19.992940
H            -7.665730           13.233569           19.855008
H            -3.808493           11.110037           17.930605
H            -4.510027           12.135792           19.210763
H            -2.944155           12.587561           18.452568
H           -10.153405           10.001759           19.018153
H            -9.883194           10.531223           20.691596
H            -7.438222           10.650369           20.320290
H            -7.657428           10.551739           18.558249
C            -9.959273           13.423230           13.195369
Au           -1.836370           18.633749           20.979099
H            -5.692154           14.839981           18.411211
P            -6.735015           11.149258           11.826306
P            -6.404797            8.041208           18.643846
C            -3.820546           17.003159           18.291402
H            -5.634263            5.757442           18.317731
H            -7.416386            5.854481           18.300136
H           -10.944965            6.084426           16.324442
H            -9.357954            6.845586           16.069430
H            -1.115414           17.172687           16.800017
H            -0.629709           16.363020           18.334147
H            -0.042711           18.003564           17.963316
H            -3.605254           20.080516           18.173420
H            -2.789040           19.406116           16.722652
H            -1.850561           20.323070           17.944043
H            -6.803826            3.821586           15.018625
H            -6.368957            3.831713           13.287018
H            -7.789747            2.890513           13.839030
H            -8.081423            5.100447           11.302800
H            -9.418637            4.093281           11.940271
H            -9.626450            5.867229           11.777207
H            -9.395964            4.365528           15.642841

231
Dimer-4
Au           18.627967           15.801267           27.185032
Au           13.673074           17.147335           28.949145
P            19.595045           17.879213           26.506603
P            13.144045           17.509304           31.218794
C            19.880702           19.025519           27.896518
C            14.456214           17.113198           32.422800
C            18.690667           18.837696           25.218616
C            17.345454           19.381784           25.709621
C            11.732508           16.415333           31.681132
P            18.564186           13.529410           27.883694
Au           12.432326           12.946324           26.108984
Au           14.037760           18.175584           26.376352
C            21.242680           17.568580           25.787799
C            12.633773           19.213685           31.619259
C            16.426754           19.823284           24.560557
C            10.453815           16.680165           30.872089
C            20.287117           12.919435           27.883939
C            17.969841           13.235535           29.584304
C            17.685540           12.322150           26.794694
P            13.756104           10.983440           26.033028
P            14.680157           20.063084           25.103244
C             9.376895           15.593646           31.011445
C            16.158229           12.269586           26.920080
P             9.659277           14.006966           30.090507
C            13.391916            9.877144           24.628118
C            13.566166            9.938009           27.518912
C            15.566946           11.304158           25.883362
C            14.638690           21.625062           26.044443
C            13.743172           20.400433           23.574561
C            10.542566           12.875241           31.232080
C             7.982182           13.274101           30.022913
H            20.373533           19.947621           27.540747
H            20.534901           18.547414           28.644826
H            18.932217           19.290436           28.389205
H            15.329639           17.763477           32.253273
H            14.774456           16.063879           32.312115
H            14.094630           17.273126           33.453942
H            18.547171           18.149245           24.365527
H            19.355516           19.649083           24.868317
H            17.511047           20.224186           26.404547
H            16.829429           18.590013           26.288401
H            11.543600           16.525159           32.765986
H            12.102963           15.386578           31.526732
H            21.721035           18.520993           25.497704
H            21.164792           16.924056           24.897149
H            21.887172           17.064606           26.527297
H            11.790730           19.532996           30.986494
H            13.475085           19.904570           31.445648
H            12.337537           19.285681           32.680557
H            16.396700           19.044601           23.776321
H            16.787757           20.752423           24.079654
H            10.703681           16.810355           29.800834
H            10.009796           17.636065           31.204203
H            20.710043           12.957585           26.867186
H            20.326712           11.877665           28.246858
H            20.911148           13.545893           28.541266
H            18.583476           13.825699           30.284929
H            18.069544           12.169131           29.852463
H            16.920431           13.550832           29.694793
H            18.118833           11.328027           27.016970
H            17.981995           12.564586           25.757957
H             8.423005           15.986419           30.613491
H             9.189510           15.345417           32.073675
H            15.722354           13.278080           26.776695
H            15.884045           11.949951           27.940372
H            12.342053            9.546136           24.668991
H            14.045131            8.987265           24.658262
H            13.553971           10.406242           23.675792
H            13.831690           10.497512           28.429045
H            14.208591            9.042612           27.446998
H            12.518180            9.609322           27.610460
H            15.738920           11.689995           24.861707
H            16.069192           10.318073           25.935337
H            15.017716           22.460792           25.430008
H            15.251107           21.543970           26.955875
H            13.603608           21.852238           26.346594
H            14.161338           21.273860           23.046354
H            12.691784           20.611211           23.827500
H            13.778526           19.526330           22.904698
H            10.030382           12.829500           32.209118
H            11.584413           13.191326           31.392074
H            10.556143           11.861538           30.799399
H             7.315253           13.899012           29.408625
H             7.554819           13.185162           31.036916
H             8.027683           12.268436           29.574588
Ag           10.724924           14.249134           27.935208
Ag           15.736265           16.082206           27.254719
Ag           12.857175           15.666144           26.725705
Au           10.596071           14.810064           25.180343
P             9.319206           15.474882           23.253992
C             9.644033           17.226721           22.830044
C             9.903508           14.535091           21.795580
C             7.460649           15.306971           23.240594
P             4.254467           15.763943           20.438941
C             6.756225           15.585465           21.891630
C             4.804132           17.373443           19.773175
C             4.856701           14.514811           19.248054
C             5.217672           15.497318           22.010819
H             9.261163           17.883189           23.628633
H             9.187827           17.518360           21.869098
H            10.733758           17.377523           22.758269
H             9.468553           14.914498           20.855965
H             9.652853           13.467357           21.906621
H            11.000231           14.618007           21.725914
H             7.087643           15.991984           24.024095
H             7.231775           14.284100           23.590448
H             7.109890           14.858174           21.141841
H             7.036788           16.588002           21.527201
H             4.547441           18.183872           20.474986
H             4.282542           17.569464           18.822794
H             5.889389           17.388126           19.579039
H             4.332158           14.650378           18.288089
H             4.638219           13.498922           19.615386
H             5.939241           14.613207           19.066275
H             4.911014           14.508508           22.399279
H             4.845526           16.244887           22.735426
Au           -6.957279            7.965766           14.281241
H            -3.806578           15.345467           17.970991
H           -10.609644            5.764514           13.939442
H           -11.156541           13.162755           20.960914
Au           -8.827523           13.702390           17.196475
H           -11.650956           12.849996           19.266799
Au           -6.108123           12.336178           16.625473
P            -9.228248           13.054154           19.456372
H           -11.171004           14.494964           19.759215
H            -3.628338           14.720636           15.249761
C           -11.716628            9.904241           16.803141
H            -3.149041           13.072953           14.762711
H            -2.027801           14.069545           15.736293
P            -3.875741           13.114231           17.072772
H            -8.463223            8.787586           19.196129
C            -8.242371           13.963601           20.701405
H            -7.606675            8.733919           20.747912
H            -1.301707           14.449160           18.028304
C           -11.553646           11.191565           14.241971
C           -10.559860            8.509401           14.521831
C            -7.558607           13.996093           13.338031
H            -1.775708           13.604682           19.510788
P            -0.465576           15.909187           20.975752
C            -2.800408           11.676683           17.448860
H           -11.669743           14.715758           15.261232
H           -11.240092           16.259755           14.456564
H           -11.261613           16.147217           16.245639
H            -8.564169           17.224912           16.311717
P            -8.215330            6.119811           13.617908
H            -8.674594           17.346661           14.527882
H            -7.268869           16.532685           15.294773
C            -6.119040           11.002174           10.596837
C            -4.555894           13.033198           11.903634
C            -7.461993           13.083818           12.103197
C            -9.049254           11.268852           19.901460
C            -7.622733           10.717268           19.774847
H            -9.343259           15.204219           12.900146
H            -9.681887           13.583037           13.538814
H            -2.696693           16.067276           20.213306
H            -1.593028           16.628093           18.952883
H           -11.271453            9.228819           17.550336
H           -12.677999            9.477380           16.467257
C            -3.470742           14.378197           18.391299
Au           -8.458331           11.047451           15.906647
P            -9.260289           15.114866           15.325195
H           -11.915107           10.873461           17.287697
H           -12.529919           10.729158           14.015189
H           -11.002534           11.332627           13.299431
Au           -6.098899           10.626233           14.122966
Au           -6.151191            9.334344           16.589114
C           -10.961094           13.423218           19.905942
C            -3.089272           13.815674           15.573259
H           -11.732417           12.179424           14.694286
H            -9.869036            8.642291           13.668623
C            -7.580340            9.177359           19.735002
C            -2.001937           14.481772           18.880428
P           -10.583693           10.144327           15.385568
H           -11.567961            8.331583           14.098872
H            -7.186002           13.443716           14.221850
H            -6.904330           14.876436           13.206775
C           -11.021004           15.604541           15.317677
C            -8.354576           16.702058           15.365198
H            -5.245210           10.337212           10.505538
H            -6.144504           11.675403            9.722837
C            -4.673897            8.890674           19.850301
C            -6.304550            6.696031           18.942506
C           -10.127392            7.329883           15.403819
C            -0.805656           17.556438           21.690955
C            -1.001635           14.723759           22.258516
C            -7.413818            4.501076           13.867909
C            -8.722618            6.116737           11.865267
C            -9.783470            6.053234           14.615840
H            -7.026004           10.376954           10.594488
H            -4.454105           13.743773           12.738354
H            -4.653807           13.601668           10.962666
H            -3.639199           12.424181           11.849327
H            -8.344140           12.419297           12.055180
H            -7.447899           13.661710           11.159634
H            -4.798193            8.483471           20.869100
H            -4.532447            9.980408           19.915092
H            -3.770054            8.448877           19.399812
H            -6.325029            6.369071           19.996015
H            -8.520478           13.646776           21.721788
H            -8.431368           15.045501           20.607555
H            -7.167560           13.784843           20.543846
H            -2.954058           10.916578           16.665314
H            -3.085093           11.224743           18.411495
H            -1.732735           11.952333           17.472806
H            -9.719245           10.732457           19.205631
H            -9.460575           11.123019           20.918879
H            -6.998508           11.085057           20.610161
H            -7.179828           11.110709           18.838649
C            -8.996099           14.444651           13.626169
Au            1.882840           15.731442           20.633111
H            -4.136417           14.182225           19.251731
P            -6.008019           11.946304           12.153667
P            -6.129374            8.508796           18.802853
C            -1.777076           15.797794           19.658513
H            -5.461565            6.202677           18.432458
H            -7.236115            6.372195           18.450478
H           -10.943844            7.083462           16.106992
H            -9.248774            7.615324           16.014185
H            -1.865355           17.650887           21.985118
H            -0.568738           18.347818           20.961145
H            -0.178271           17.713745           22.582437
H            -0.852771           13.685834           21.921328
H            -2.064669           14.878620           22.511392
H            -0.399418           14.873796           23.168749
H            -7.103338            4.382853           14.918631
H            -6.517716            4.427887           13.229874
H            -8.105351            3.681958           13.602475
H            -7.832854            6.074614           11.215963
H            -9.288894            7.028697           11.621436
H            -9.354042            5.236515           11.652075
H            -9.660302            5.214900           15.325643

231
Dimer-5
Au            6.729992           -1.119916           -1.236436
Au            8.230165            0.099159            3.796814
P             8.399560            0.031141           -2.502585
P             9.594999           -1.342726            5.073256
C            10.088285           -0.582028           -2.192309
C             9.922258           -2.976393            4.332377
C             8.461056            1.865356           -2.332499
C             8.936887            2.323951           -0.949087
C             8.745254           -1.709014            6.668297
P             5.080331           -2.766151           -0.744283
Au            3.086286            0.580703            4.349652
Au            7.807069            2.498698            2.415875
C             8.094356           -0.256168           -4.277596
C            11.238620           -0.671174            5.486018
C             8.585299            3.788107           -0.649560
C             8.505388           -0.465232            7.534049
C             4.766970           -3.699908           -2.281453
C             5.604663           -4.022674            0.471589
C             3.401666           -2.194682           -0.228029
P             1.464193           -0.737872            3.230528
P             8.801393            4.224417            1.130370
C             7.556634           -0.687229            8.722634
C             3.265911           -1.721192            1.226233
P             5.754683           -0.888907            8.328113
C            -0.181556            0.044196            3.135596
C             1.166028           -2.353081            4.029793
C             1.871318           -1.126931            1.472675
C            10.592256            4.422966            1.406161
C             8.099825            5.900385            1.301721
C             5.438765           -2.689343            8.186558
C             4.940520           -0.472591            9.914668
H            10.810758           -0.068946           -2.851080
H            10.132362           -1.663198           -2.404601
H            10.379050           -0.424754           -1.141535
H            10.466485           -2.854549            3.382398
H             8.976966           -3.503762            4.130754
H            10.537859           -3.590599            5.011790
H             7.438328            2.229807           -2.540156
H             9.108283            2.257702           -3.139499
H            10.026185            2.167649           -0.860177
H             8.460460            1.685761           -0.177672
H             9.335984           -2.468384            7.216340
H             7.793375           -2.190313            6.381120
H             8.879740            0.229720           -4.883048
H             7.115437            0.154174           -4.573283
H             8.102200           -1.336475           -4.497714
H            11.155229            0.295497            6.006617
H            11.810424           -0.512984            4.557556
H            11.796905           -1.380737            6.121770
H             7.520520            3.976051           -0.881376
H             9.177586            4.487433           -1.268915
H             8.114267            0.360098            6.907460
H             9.471745           -0.116905            7.940719
H             4.366942           -3.034834           -3.063477
H             4.042894           -4.513703           -2.098463
H             5.705962           -4.145022           -2.649318
H             6.539695           -4.493405            0.123707
H             4.839515           -4.811261            0.572921
H             5.795383           -3.563125            1.454242
H             2.710969           -3.038482           -0.418593
H             3.114705           -1.391529           -0.931701
H             7.610228            0.195766            9.386258
H             7.873346           -1.552436            9.335697
H             4.038846           -0.962888            1.460983
H             3.444070           -2.574578            1.904600
H            -0.565764            0.231422            4.151533
H            -0.894150           -0.611212            2.604841
H            -0.118031            1.006714            2.603143
H             2.090614           -2.950071            4.068186
H             0.394709           -2.920204            3.479344
H             0.815101           -2.198589            5.063330
H             1.746631           -0.190900            0.898698
H             1.084957           -1.821243            1.118538
H            11.006920            5.181626            0.720023
H            11.116305            3.468654            1.243917
H            10.780225            4.743464            2.443836
H             8.592111            6.599253            0.603248
H             8.256057            6.264748            2.330201
H             7.018328            5.887070            1.090559
H             5.823272           -3.216533            9.076537
H             5.909527           -3.119020            7.289832
H             4.352297           -2.864676            8.121057
H             5.106302            0.586985           10.167237
H             5.339866           -1.099648           10.730754
H             3.855663           -0.649828            9.837182
Ag            4.962729            0.432211            6.459404
Ag            6.668198            0.103889            1.396214
Ag            5.747220            1.356183            3.913182
Au            3.981829            2.914503            5.568852
P             3.440302            5.205731            6.044715
C             4.826481            6.321029            5.613864
C             2.072615            5.720937            4.941509
C             2.910829            5.721295            7.758047
P             1.494039            9.257125            9.732220
C             2.468114            7.195242            7.926344
C             2.815095           10.370126            9.141458
C             0.077288            9.562312            8.618293
C             2.071489            7.520791            9.383397
H             5.665591            6.169761            6.312807
H             4.524452            7.381245            5.632078
H             5.179361            6.079166            4.598560
H             1.897592            6.809116            4.977323
H             1.144857            5.193994            5.218425
H             2.322451            5.444480            3.904474
H             3.762079            5.494916            8.426539
H             2.095700            5.035622            8.054668
H             1.613207            7.396233            7.258643
H             3.287286            7.863859            7.611604
H             3.739590           10.206567            9.717900
H             2.505958           11.417770            9.294326
H             3.023634           10.226729            8.068653
H            -0.274178           10.597635            8.761560
H            -0.753323            8.879374            8.861194
H             0.354161            9.437109            7.558211
H             1.257467            6.854105            9.723392
H             2.921818            7.341168           10.066956
Au           -7.454366            7.259615           15.054292
H            -1.616076           13.526610           16.045600
H           -11.347344            5.619868           15.179794
H           -10.066933           13.198797           21.646788
Au           -8.482702           13.532149           17.490063
H           -10.842281           12.729068           20.098806
Au           -5.950324           11.888842           16.211992
P            -8.436968           13.058020           19.827281
H           -10.371904           14.428741           20.381558
H            -3.809702           13.922220           18.354956
C           -11.467929            9.813880           18.150307
H            -4.927919           14.982187           17.462882
H            -3.155209           15.206881           17.289007
P            -4.005142           13.253180           16.021098
H            -7.465375            8.813071           19.959343
C            -7.302799           14.137076           20.768383
H            -6.207613            9.062282           21.183079
H            -2.031099           12.018709           13.956622
C           -11.795201           11.014356           15.564901
C           -10.936417            8.266038           15.731351
C            -8.092321           13.269656           13.437021
H            -2.300937           10.674267           15.086792
P             0.637057           10.031134           14.336072
C            -4.008015           14.312647           14.522298
H           -11.499475           14.860245           16.064041
H           -11.022715           16.246330           15.029142
H           -10.672493           16.267729           16.786161
H            -7.923644           16.888909           16.142098
P            -8.938515            5.481891           14.813360
H            -8.353411           16.836537           14.406298
H            -6.966559           15.878733           15.025009
C            -7.809442            9.844287           10.848107
C            -5.722586           11.761011           11.360764
C            -8.428317           12.222583           12.363195
C            -8.052120           11.335773           20.365055
C            -6.657002           10.842377           19.966015
H            -9.738631           14.719066           13.254810
H           -10.144920           13.245003           14.152815
H             0.027901           11.402511           16.154058
H             0.261399           12.394542           14.715336
H           -10.911478            9.129429           18.808975
H           -12.506962            9.452308           18.056119
C            -2.251549           12.618112           16.055966
Au           -8.425596           10.689878           16.447477
P            -9.103671           14.836235           15.596362
H           -11.484754           10.810544           18.619084
H           -12.835189           10.647894           15.612646
H           -11.486735           11.059132           14.508348
Au           -6.703385            9.804102           14.199353
Au           -6.011795            8.950376           16.744662
C           -10.081242           13.380059           20.557659
C            -3.959216           14.458875           17.403638
H           -11.764560           12.033500           15.981331
H           -10.347926            8.284419           14.795092
C            -6.502880            9.321839           20.149541
C            -1.777595           11.639143           14.961896
P           -10.666541            9.924154           16.509412
H           -12.003559            8.189554           15.448969
H            -7.585530           12.764870           14.281667
H            -7.382067           14.011271           13.030386
C           -10.724799           15.625051           15.892107
C            -7.980328           16.236897           15.255039
H            -7.089550            9.042003           10.617919
H            -8.021501           10.415881            9.928553
C            -3.679953            9.261552           19.430889
C            -5.207657            6.816725           19.483454
C           -10.535661            7.072726           16.609719
C             2.290842           10.166622           15.102057
C            -0.145184            8.576054           15.118770
C            -8.302726            3.847698           15.327774
C            -9.513197            5.202507           13.101137
C           -10.468522            5.738891           15.838960
H            -8.741909            9.370732           11.196615
H            -5.294680           12.517107           12.036134
H            -6.035059           12.254039           10.423216
H            -4.936681           11.022655           11.130976
H            -9.343056           11.673290           12.651873
H            -8.634559           12.690146           11.381699
H            -3.461195            9.090017           20.499331
H            -3.663460           10.345018           19.230467
H            -2.889376            8.782620           18.829706
H            -4.927596            6.731183           20.547710
H            -7.379302           13.931072           21.850256
H            -7.570125           15.192877           20.597192
H            -6.260141           13.988620           20.446031
H            -4.913585           14.937898           14.520796
H            -4.024168           13.697281           13.609339
H            -3.126385           14.977453           14.493884
H            -8.819835           10.699017           19.888821
H            -8.211021           11.274557           21.458471
H            -5.884881           11.365989           20.557134
H            -6.489698           11.105727           18.903568
C            -9.340458           13.980870           13.976040
Au            0.951487            9.686240           12.006358
H            -2.109822           12.154545           17.050538
P            -7.135771           10.915655           12.167449
P            -5.308851            8.565009           18.964321
C            -0.246064           11.483486           15.083292
H            -4.455117            6.290080           18.873582
H            -6.179112            6.320465           19.328465
H           -11.272317            6.954632           17.425287
H            -9.552199            7.257394           17.082683
H             2.214314           10.212780           16.201755
H             2.797067           11.079206           14.745480
H             2.909575            9.298733           14.822911
H            -1.171281            8.441447           14.740593
H            -0.176484            8.703240           16.214769
H             0.432632            7.667701           14.886066
H            -8.007187            3.865361           16.389237
H            -7.416796            3.588553           14.725775
H            -9.070546            3.067095           15.182178
H            -8.648662            4.978020           12.455930
H           -10.213474            4.349675           13.065534
H           -10.016191            6.099337           12.705814
H           -10.501167            4.896171           16.552934

231
Dimer-6
Au           -0.511932           -4.723268            1.702515
Au            1.465168           -3.699450            6.713312
P             1.431051           -4.256245            0.388598
P             2.414263           -5.316161            8.152710
C             2.845441           -5.335735            0.781848
C             2.476992           -7.008623            7.478059
C             2.067241           -2.526911            0.421639
C             2.640648           -2.131958            1.786563
C             1.387681           -5.453377            9.676912
P            -2.643646           -5.651734            2.237991
Au           -3.351993           -1.502963            7.088619
Au            1.709087           -1.419980            5.096097
C             1.032642           -4.582523           -1.360869
C             4.113658           -4.941727            8.693102
C             2.798215           -0.615183            1.962546
C             1.307676           -4.160155           10.501959
C            -3.260800           -6.416040            0.698123
C            -2.618196           -7.001618            3.465272
C            -4.016112           -4.513873            2.722928
P            -5.335827           -2.357682            6.108999
P             3.151613           -0.147279            3.711704
C             0.214755           -4.169207           11.584404
C            -3.987615           -3.969106            4.158671
P            -1.522623           -3.887699           11.004775
C            -6.708245           -1.159855            6.004996
C            -6.018593           -3.770379            7.042952
C            -5.127803           -2.961730            4.377579
C             4.918800           -0.491620            4.000390
C             2.995181            1.668964            3.766683
C            -2.216636           -5.527690           10.563606
C            -2.418431           -3.473525           12.546617
H             3.689219           -5.118991            0.103573
H             2.557035           -6.391484            0.646699
H             3.170109           -5.198683            1.825099
H             3.127357           -7.035523            6.588411
H             1.469185           -7.342671            7.186051
H             2.884754           -7.707125            8.229060
H             1.217928           -1.876093            0.143239
H             2.820357           -2.428040           -0.382824
H             3.610113           -2.635895            1.945206
H             1.961060           -2.501612            2.579972
H             1.785105           -6.286780           10.288233
H             0.391210           -5.770714            9.325937
H             1.921918           -4.410855           -1.991990
H             0.219275           -3.924613           -1.706943
H             0.714014           -5.630455           -1.487941
H             4.164406           -3.949046            9.167431
H             4.790270           -4.944574            7.822638
H             4.463810           -5.704906            9.409726
H             1.858278           -0.101516            1.687549
H             3.591936           -0.204548            1.310747
H             1.147753           -3.293601            9.830180
H             2.277135           -3.991328           11.003450
H            -3.400509           -5.652189           -0.084066
H            -4.226642           -6.920160            0.878310
H            -2.539613           -7.163361            0.330507
H            -1.924772           -7.788793            3.127162
H            -3.622931           -7.447495            3.569216
H            -2.272020           -6.638347            4.444874
H            -4.954917           -5.074667            2.550670
H            -4.007226           -3.687813            1.988554
H             0.411684           -3.349519           12.300430
H             0.236421           -5.105921           12.173464
H            -3.014955           -3.481600            4.368052
H            -4.084636           -4.809441            4.869990
H            -6.986516           -0.826326            7.016996
H            -7.590285           -1.626751            5.533779
H            -6.409802           -0.280382            5.412705
H            -5.287532           -4.591579            7.099591
H            -6.941308           -4.140747            6.562361
H            -6.263231           -3.455409            8.070115
H            -4.981995           -2.069170            3.742401
H            -6.098515           -3.404084            4.080062
H             5.543968            0.075470            3.288606
H             5.129338           -1.566107            3.881772
H             5.197653           -0.199023            5.025655
H             3.690307            2.135802            3.047201
H             3.236676            2.036077            4.776992
H             1.966109            1.969383            3.512946
H            -2.031697           -6.255537           11.373230
H            -1.778356           -5.911561            9.630259
H            -3.306222           -5.440675           10.420550
H            -2.058669           -2.519166           12.963319
H            -2.276080           -4.269028           13.298840
H            -3.496752           -3.380520           12.338899
Ag           -1.706455           -2.260725            9.227106
Ag           -0.072172           -3.478569            4.295076
Ag           -0.582264           -1.787261            6.663913
Au           -1.655766            0.376778            8.236762
P            -1.221594            2.727542            8.606135
C             0.480374            3.152871            8.081535
C            -2.300252            3.696393            7.486426
C            -1.406128            3.532516           10.282754
P            -1.203251            7.514917           11.886407
C            -1.247924            5.072890           10.315152
C             0.110363            8.043975           10.730548
C            -2.761485            8.125558           11.147521
C            -1.276982            5.653362           11.749747
H             1.211762            2.699609            8.770531
H             0.642349            4.242967            8.044790
H             0.660590            2.740070            7.075695
H            -2.035601            4.766982            7.478090
H            -3.356151            3.581646            7.782966
H            -2.195673            3.307366            6.460869
H            -0.653195            3.051199           10.934645
H            -2.392835            3.233147           10.680444
H            -2.050479            5.533263            9.713297
H            -0.294307            5.358357            9.839625
H             1.077897            7.607889           11.027990
H             0.214313            9.139686           10.777120
H            -0.114409            7.760284            9.689574
H            -2.692185            9.221035           11.050334
H            -3.607470            7.902591           11.818663
H            -2.947380            7.695436           10.149139
H            -2.194481            5.344172           12.284191
H            -0.428689            5.262839           12.341289
Au           -5.665481            7.733888           14.333410
H            -1.064958           13.422614           17.049885
H            -9.428124            5.556642           14.699581
H            -9.647305           13.937312           21.617102
Au           -8.074100           14.041233           17.454096
H           -10.509766           13.642196           20.070278
Au           -5.423472           12.423733           16.500286
P            -8.084990           13.538963           19.781182
H            -9.735765           15.221149           20.372880
H            -3.683476           14.657032           18.965237
C           -10.864641            9.669481           17.292711
H            -4.267318           15.783909           17.711146
H            -2.507896           15.597759           17.992445
P            -3.447000           13.716165           16.727209
H            -7.689786            9.239355           19.349485
C            -6.770806           14.396779           20.716032
H            -6.782726            9.154545           20.876325
H            -1.825741           11.596799           15.335781
C           -11.000997           10.870424           14.682617
C            -9.598378            8.365808           14.991159
C            -7.323310           13.917546           13.483477
H            -2.566954           10.744251           16.692319
P            -0.139880            9.064954           16.225025
C            -2.947456           14.559283           15.179442
H           -11.066201           15.191600           15.822346
H           -10.601948           16.635793           14.864750
H           -10.394299           16.627318           16.642888
H            -7.632329           17.437470           16.232302
P            -7.188323            6.022079           13.860164
H            -7.936846           17.415430           14.470412
H            -6.536229           16.523749           15.159454
C            -6.369184           10.771543           10.724903
C            -4.641096           12.897743           11.577246
C            -7.445750           12.883379           12.356053
C            -7.984625           11.766101           20.273984
C            -6.671475           11.096283           19.851737
H            -9.077857           15.202236           13.155851
H            -9.422595           13.681274           14.006589
H            -0.167940           10.839744           17.824382
H             0.431091           11.404448           16.257586
H           -10.277748            9.133624           18.054943
H           -11.758822            9.073273           17.040604
C            -1.935369           12.753022           17.191908
Au           -7.776714           11.094837           16.156543
P            -8.644471           15.338507           15.542881
H           -11.196891           10.625383           17.730702
H           -11.918915           10.278758           14.523551
H           -10.522016           11.052865           13.707514
Au           -5.543173           10.518896           14.151847
Au           -5.334807            9.378101           16.642954
C            -9.638845           14.134785           20.530559
C            -3.473215           15.062752           17.963083
H           -11.287154           11.843259           15.114456
H            -9.021894            8.592578           14.076551
C            -6.758739            9.564720           19.849195
C            -1.745950           11.434271           16.425683
P            -9.846356           10.010128           15.812317
H           -10.585488            7.977264           14.675120
H            -6.854944           13.434316           14.362748
H            -6.653117           14.736040           13.166536
C           -10.332660           16.008825           15.732652
C            -7.586236           16.811468           15.325891
H            -5.502751           10.143675           10.460797
H            -6.629895           11.403405            9.858176
C            -3.903274            9.123061           19.960010
C            -5.666169            6.974020           19.229082
C            -8.857840            7.336750           15.856520
C             1.628602            8.750891           16.532794
C            -1.039717            8.056866           17.452628
C            -6.681608            4.263037           13.790060
C            -8.053554            6.262575           12.261366
C            -8.523760            6.007045           15.152489
H            -7.217986           10.105057           10.947238
H            -4.361043           13.630575           12.348413
H            -4.964967           13.441050           10.672149
H            -3.743980           12.307120           11.330864
H            -8.293370           12.202392           12.556163
H            -7.644327           13.366439           11.380568
H            -4.096443            8.877368           21.019193
H            -3.631920           10.187559           19.882676
H            -3.046060            8.523034           19.617608
H            -5.743330            6.759773           20.309000
H            -6.866377           14.189915           21.796128
H            -6.856748           15.485158           20.563574
H            -5.775750           14.079335           20.371415
H            -3.736496           15.256971           14.857635
H            -2.790397           13.821943           14.376526
H            -2.015565           15.131287           15.330198
H            -8.844695           11.272526           19.786654
H            -8.150395           11.697267           21.365674
H            -5.855182           11.424569           20.519172
H            -6.412912           11.434934           18.829742
C            -8.679850           14.492806           13.904999
Au           -0.805000            8.398000           14.069000
H            -2.001617           12.552233           18.277580
P            -5.964754           11.790217           12.193581
P            -5.374177            8.755943           18.931661
C            -0.374690           10.818107           16.736250
H            -4.838094            6.382171           18.806605
H            -6.601070            6.660726           18.736853
H            -9.480227            7.085706           16.735161
H            -7.922480            7.784954           16.240452
H             1.891598            9.020702           17.569973
H             2.247761            9.350031           15.846717
H             1.863910            7.686785           16.374072
H            -2.125243            8.188548           17.321191
H            -0.743501            8.337812           18.477185
H            -0.795352            6.993127           17.294974
H            -6.187853            3.971369           14.731404
H            -5.968571            4.116124           12.961890
H            -7.554878            3.607583           13.627579
H            -7.342998            6.128814           11.428952
H            -8.463763            7.281018           12.194176
H            -8.879625            5.539399           12.143105
H            -8.174685            5.289032           15.917155

231
Dimer-7
Au           -2.668313            2.331754            4.639667
Au           -5.842887           -0.707302            7.615715
P            -2.129310            4.195545            6.056409
P            -4.861795           -2.467913            8.858733
C            -1.197730            3.666866            7.531338
C            -3.081499           -2.731237            8.563988
C            -3.547567            5.204143            6.658980
C            -4.567702            4.387472            7.463026
C            -5.667372           -4.056055            8.382894
P            -2.438499            0.692365            2.926633
Au           -8.428643           -1.242403            3.118487
Au           -7.017642            1.865777            7.339412
C            -1.047182            5.340366            5.137581
C            -5.030374           -2.325681           10.665130
C            -5.913342            5.110608            7.634253
C            -7.166455           -4.101679            8.709189
C            -0.902500            1.153509            2.053546
C            -2.170769           -1.031452            3.462127
C            -3.717891            0.644734            1.598327
P            -7.534045           -1.016409            0.940246
P            -7.241766            4.026876            8.332010
C            -7.923757           -5.286163            8.089097
C            -5.007235           -0.116614            1.930728
P            -8.206730           -5.225645            6.255855
C            -8.698867           -0.328154           -0.282279
C            -6.989436           -2.612590            0.243351
C            -6.065209            0.095686            0.837479
C            -6.872052           -6.214992            5.484227
C            -9.681035           -6.292553            6.037484
H            -0.908263            4.543984            8.136197
H            -0.276931            3.141277            7.229181
H            -1.801017            2.986015            8.151661
H            -2.507331           -1.844319            8.877449
H            -2.881998           -2.925465            7.498612
H            -2.729770           -3.594627            9.156053
H            -4.020675            5.646121            5.763315
H            -3.141514            6.046559            7.251252
H            -4.147241            4.124345            8.450469
H            -4.749973            3.431486            6.933530
H            -5.125986           -4.879988            8.886076
H            -5.484361           -4.165669            7.299478
H            -0.744553            6.186668            5.779768
H            -1.564117            5.735631            4.248095
H            -0.133085            4.817996            4.809825
H            -6.081870           -2.173653           10.954982
H            -4.441652           -1.467771           11.029429
H            -4.648808           -3.241809           11.149527
H            -6.281688            5.467149            6.654169
H            -5.820890            6.003465            8.283464
H            -7.650742           -3.158223            8.388178
H            -7.297343           -4.159929            9.804400
H            -0.991187            2.151996            1.594778
H            -0.692638            0.416945            1.258164
H            -0.048996            1.162774            2.751038
H            -1.285641           -1.073706            4.118993
H            -1.978840           -1.673175            2.584909
H            -3.038099           -1.418146            4.019476
H            -3.232939            0.189707            0.713758
H            -3.933764            1.694944            1.329054
H            -8.932977           -5.326462            8.538651
H            -7.439546           -6.251074            8.332604
H            -5.424699            0.216024            2.905181
H            -4.778321           -1.191612            2.042707
H            -9.590412           -0.971798           -0.353719
H            -8.223943           -0.274390           -1.277309
H            -9.016367            0.682827            0.018592
H            -6.202157           -3.065885            0.866687
H            -6.605835           -2.479346           -0.783169
H            -7.841560           -3.310501            0.210448
H            -6.434174            1.137127            0.855593
H            -5.623749           -0.064354           -0.165712
H            -6.841333           -7.225503            5.927011
H            -5.888884           -5.739237            5.620867
H            -7.061582           -6.312426            4.402974
H           -10.562589           -5.827925            6.507189
H            -9.510744           -7.282803            6.495556
H            -9.887089           -6.434334            4.964345
Ag           -8.538932           -3.009359            5.341821
Ag           -5.157237            0.987852            5.443823
Ag           -7.856650           -0.281557            5.668496
Au          -10.615006           -1.211568            4.819269
P           -13.011786           -1.007967            4.921316
C           -13.616838           -0.880539            6.642548
C           -13.551654            0.548514            4.129272
C           -14.035580           -2.364641            4.142049
P           -18.212729           -3.067690            3.190239
C           -15.559844           -2.093738            4.036275
C           -18.771940           -2.166296            4.696562
C           -18.252643           -1.755166            1.901342
C           -16.362622           -3.305111            3.499482
H           -13.369394           -1.794380            7.205269
H           -14.707193           -0.719186            6.675096
H           -13.129624           -0.027807            7.141699
H           -14.636239            0.705406            4.245396
H           -13.300697            0.544851            3.055724
H           -13.030102            1.396051            4.602064
H           -13.838521           -3.272546            4.742466
H           -13.605224           -2.557687            3.141768
H           -15.722778           -1.224791            3.376927
H           -15.954870           -1.815385            5.027945
H           -18.687940           -2.816912            5.581831
H           -19.840939           -1.931500            4.568524
H           -18.219226           -1.228661            4.873718
H           -19.305338           -1.512809            1.681784
H           -17.799383           -2.131014            0.969050
H           -17.739817           -0.824999            2.200057
H           -15.942456           -3.650012            2.536103
H           -16.268453           -4.159780            4.195865
Au          -22.004530           -3.708469            3.515932
H           -19.915874          -10.708541            0.159493
H           -25.792426           -1.518952            4.282183
H           -28.959724          -10.826307            2.988218
Au          -24.908661          -10.324102            4.777116
H           -28.482330           -9.954647            4.482245
Au          -22.400322           -8.891029            3.364826
P           -26.553777          -10.420682            3.055533
H           -28.173607          -11.706635            4.333905
H           -22.963593          -11.724494            0.968794
C           -27.508189           -6.286865            5.382504
H           -22.666557          -12.546116            2.525783
H           -21.539065          -12.795866            1.154707
P           -21.211800          -10.617725            2.243192
H           -26.080169           -6.379580            1.519253
C           -26.290049          -11.794234            1.881023
H           -26.382231           -6.966041           -0.131568
H           -18.521057           -9.022443            1.151945
C           -25.646911           -6.104740            7.578660
C           -25.540058           -4.116280            5.485033
C           -21.715612           -9.110478            7.046603
H           -19.894394           -8.214847            1.943666
P           -18.897474           -6.012902            0.350425
C           -19.810219          -11.357126            3.160701
H           -25.742108          -10.956313            8.261452
H           -24.488489          -12.093859            8.851772
H           -25.546822          -12.548352            7.479977
H           -23.086462          -13.201602            6.038029
P           -23.404220           -1.883107            3.962644
H           -22.140151          -12.662556            7.456222
H           -21.789111          -11.995249            5.824530
C           -19.734818           -5.347569            7.531651
C           -18.645512           -7.733514            6.352377
C           -21.260921           -7.778191            7.654711
C           -26.805569           -8.914293            2.020972
C           -25.559793           -8.472405            1.242866
H           -22.635184          -10.166084            8.742235
H           -23.672227           -8.937715            7.986684
H           -20.698611           -7.416778           -0.324211
H           -19.177607           -7.995126           -1.050795
H           -27.721636           -6.113227            4.316262
H           -28.179335           -5.653160            5.988333
C           -20.457771           -9.918128            0.710975
Au          -24.095169           -7.139912            4.585332
P           -23.803564          -10.999865            6.779590
H           -27.727200           -7.343286            5.608738
H           -26.400298           -5.478483            8.088438
H           -24.642559           -5.812528            7.924323
Au          -21.238373           -6.335269            4.442065
Au          -22.566300           -6.160736            2.041701
C           -28.194988          -10.753321            3.780491
C           -22.179500          -12.056501            1.666828
H           -25.816322           -7.156739            7.861771
H           -24.528467           -3.897417            5.873115
C           -25.681028           -7.033128            0.721959
C           -19.565077           -8.693906            1.000529
P           -25.753295           -5.930983            5.760103
H           -26.264596           -3.569846            6.119148
H           -21.988085           -8.939467            5.986503
H           -20.876351           -9.827556            7.051762
C           -25.004783          -11.714266            7.953066
C           -22.586833          -12.335139            6.500998
H           -19.033825           -4.710639            6.970499
H           -19.260384           -5.664553            8.477209
C           -23.546084           -7.194117           -1.255970
C           -24.581761           -4.638513           -0.433830
C           -25.649814           -3.698603            4.012544
C           -17.091201           -6.337726            0.308317
C           -19.184461           -5.004664           -1.151614
C           -23.118134           -0.440716            2.876429
C           -23.258659           -1.182140            5.647208
C           -25.202054           -2.259238            3.709324
H           -20.625744           -4.744316            7.769282
H           -18.823108           -8.671482            5.804077
H           -18.208291           -7.968396            7.338726
H           -17.925295           -7.134627            5.770519
H           -22.139122           -7.142200            7.871149
H           -20.723143           -7.924149            8.610199
H           -24.361079           -7.241033           -1.999424
H           -23.253000           -8.220336           -0.986213
H           -22.681071           -6.699346           -1.725781
H           -25.316384           -4.756139           -1.249403
H           -27.134316          -11.858550            1.172284
H           -26.223330          -12.749053            2.427730
H           -25.357158          -11.653437            1.316757
H           -20.179885          -11.884469            4.054617
H           -19.119757          -10.563949            3.488265
H           -19.260453          -12.081505            2.534154
H           -27.115058           -8.121543            2.724982
H           -27.665295           -9.097569            1.348965
H           -25.380482           -9.163425            0.399595
H           -24.679829           -8.535278            1.912628
C           -22.920935           -9.718598            7.771439
Au          -19.771493           -4.953408            2.330224
H           -21.314920           -9.624106            0.078567
P           -20.208745           -6.788952            6.505227
P           -24.071761           -6.264158            0.231567
C           -19.639280           -7.639896           -0.109340
H           -23.704420           -4.097641           -0.823333
H           -25.033276           -4.030270            0.366374
H           -26.698906           -3.795582            3.677753
H           -25.047161           -4.389740            3.394549
H           -16.783429           -6.771839           -0.659385
H           -16.815366           -7.036073            1.114987
H           -16.540217           -5.396960            0.466424
H           -20.263064           -4.812624           -1.266461
H           -18.809990           -5.513112           -2.057366
H           -18.676134           -4.031281           -1.057251
H           -23.213559           -0.730183            1.817202
H           -22.102123           -0.044008            3.037051
H           -23.845530            0.361142            3.092639
H           -22.240268           -0.788006            5.797813
H           -23.444725           -1.950355            6.413345
H           -23.978185           -0.356643            5.787963
H           -25.394980           -2.049466            2.641022
C            -8.805740            4.927502            8.061885
H            -9.632407            4.405608            8.568922
H            -8.737602            5.951021            8.470523
H            -9.037335            4.987723            6.987220
C            -6.986773            4.001687           10.137306
H            -7.019893            5.025717           10.548742
H            -7.772442            3.400362           10.622201
H            -6.012267            3.551185           10.381457

