141
[NAu4(PPh3)4]+ Tetrahedro
Au      11.763368000     11.666633000      5.621714000
Au       8.574031000     11.726962000      4.656727000
Au       9.650241000      9.362548000      6.737444000
Au      10.575427000      9.364479000      3.550639000
P       11.085452000      8.016015000      1.821188000
C        9.764856000      6.834652000      1.397359000
C        9.608844000      6.346036000      0.093902000
C        8.594268000      5.431691000     -0.188655000
C        7.733636000      5.004613000      0.825326000
C        7.884949000      5.492613000      2.125651000
C        8.896420000      6.408086000      2.413845000
C       12.562937000      6.994233000      2.144551000
C       13.651654000      7.595267000      2.797942000
C       14.798585000      6.850690000      3.064750000
C       14.865000000      5.504803000      2.689660000
C       13.781660000      4.905280000      2.045572000
C       12.630590000      5.646498000      1.772431000
C       11.450113000      8.897380000      0.268859000
C       12.395193000      8.421414000     -0.648181000
C       12.619714000      9.116574000     -1.837555000
C       11.907092000     10.286278000     -2.111501000
C       10.966822000     10.765398000     -1.194859000
C       10.738389000     10.075536000     -0.005188000
H       10.271222000      6.689670000     -0.700571000
H        8.471865000      5.059803000     -1.204400000
H        6.935178000      4.298561000      0.599293000
H        7.206172000      5.170606000      2.914146000
H        9.009818000      6.808870000      3.421398000
H       13.586869000      8.641543000      3.099876000
H       15.641605000      7.313960000      3.573676000
H       15.758754000      4.922294000      2.906129000
H       13.826317000      3.856049000      1.759644000
H       11.781094000      5.174647000      1.279967000
H       12.960232000      7.515964000     -0.427253000
H       13.359405000      8.747888000     -2.546865000
H       12.093110000     10.833462000     -3.036437000
H       10.424232000     11.687129000     -1.403111000
H       10.018917000     10.447463000      0.726015000
P        9.085656000      8.042383000      8.471606000
C       10.399056000      6.881589000      8.963802000
C       10.533109000      6.438772000     10.286310000
C       11.544874000      5.538060000     10.618340000
C       12.423993000      5.079043000      9.634987000
C       12.294664000      5.522339000      8.315844000
C       11.286692000      6.423791000      7.978499000
C        7.629025000      7.004782000      8.115605000
C        6.570739000      7.582769000      7.395329000
C        5.441235000      6.825770000      7.093052000
C        5.364259000      5.489654000      7.499332000
C        6.417606000      4.912452000      8.209780000
C        7.550820000      5.666941000      8.519227000
C        8.663426000      8.958062000      9.988644000
C        7.685988000      8.502601000     10.881509000
C        7.408515000      9.230059000     12.038615000
C        8.103334000     10.411485000     12.305975000
C        9.079455000     10.868780000     11.415985000
C        9.357746000     10.147972000     10.256672000
H        9.855935000      6.807689000     11.055420000
H       11.651352000      5.201900000     11.648250000
H       13.218201000      4.382838000      9.899614000
H       12.985939000      5.172451000      7.550271000
H       11.189508000      6.787380000      6.955259000
H        6.647972000      8.622152000      7.067789000
H        4.621798000      7.271677000      6.533178000
H        4.484948000      4.896185000      7.257533000
H        6.361934000      3.869559000      8.520531000
H        8.378265000      5.212980000      9.063281000
H        7.134744000      7.587684000     10.664902000
H        6.642896000      8.877649000     12.727377000
H        7.875788000     10.981640000     13.203984000
H        9.611288000     11.795520000     11.619951000
H       10.102835000     10.504733000      9.544799000
P       13.550928000     12.920010000      6.153745000
C       14.994542000     12.593120000      5.091477000
C       15.802996000     13.623660000      4.596298000
C       16.892993000     13.320048000      3.778416000
C       17.178463000     11.993086000      3.454685000
C       16.371458000     10.962509000      3.948611000
C       15.279119000     11.258658000      4.760666000
C       14.152368000     12.676428000      7.855599000
C       13.212430000     12.428034000      8.867639000
C       13.635834000     12.260146000     10.185025000
C       14.996830000     12.329877000     10.496622000
C       15.933128000     12.569365000      9.489992000
C       15.516405000     12.745177000      8.170232000
C       13.218490000     14.706114000      6.009276000
C       13.842256000     15.644395000      6.841859000
C       13.559127000     17.003451000      6.691291000
C       12.656102000     17.426422000      5.712884000
C       12.030122000     16.491555000      4.883171000
C       12.304110000     15.132771000      5.032992000
H       15.572892000     14.660273000      4.839159000
H       17.513904000     14.124155000      3.386174000
H       18.022949000     11.762290000      2.808522000
H       16.590043000      9.928013000      3.687894000
H       14.634045000     10.462737000      5.134937000
H       12.152344000     12.354119000      8.608083000
H       12.905431000     12.059516000     10.969767000
H       15.327174000     12.186607000     11.523828000
H       16.994462000     12.614580000      9.728482000
H       16.248714000     12.921261000      7.382630000
H       14.537487000     15.311672000      7.612148000
H       14.039865000     17.732345000      7.344169000
H       12.433603000     18.487498000      5.602279000
H       11.317797000     16.817771000      4.127602000
H       11.803210000     14.395068000      4.405259000
P        6.830142000     13.043644000      4.124206000
C        5.375291000     12.751415000      5.182535000
C        4.615734000     13.800728000      5.715320000
C        3.516638000     13.521125000      6.529585000
C        3.172927000     12.198950000      6.813079000
C        3.930204000     11.149245000      6.280475000
C        5.031165000     11.420931000      5.471849000
C        6.221637000     12.824722000      2.421950000
C        7.150560000     12.513647000      1.415109000
C        6.720643000     12.351477000      0.099655000
C        5.364975000     12.489763000     -0.215892000
C        4.439938000     12.791198000      0.785720000
C        4.864797000     12.958119000      2.104407000
C        7.213113000     14.817918000      4.283643000
C        6.610994000     15.779897000      3.462756000
C        6.938276000     17.127423000      3.617581000
C        7.863165000     17.517569000      4.589094000
C        8.464243000     16.559624000      5.410223000
C        8.146797000     15.210941000      5.255523000
H        4.890883000     14.834746000      5.504579000
H        2.933327000     14.340081000      6.949791000
H        2.320071000     11.985489000      7.454987000
H        3.664863000     10.119006000      6.508022000
H        5.635684000     10.608940000      5.068311000
H        8.202332000     12.394403000      1.676097000
H        7.437426000     12.108499000     -0.680659000
H        5.027544000     12.352316000     -1.241771000
H        3.380749000     12.890991000      0.542242000
H        4.143729000     13.179403000      2.889181000
H        5.898995000     15.474221000      2.696050000
H        6.474148000     17.872098000      2.972145000
H        8.120266000     18.570107000      4.701850000
H        9.191161000     16.859383000      6.162505000
H        8.629900000     14.455378000      5.874991000
N       10.142702000     10.535924000      5.154935000

141
[NAu4(PPh3)4]+ Planar
Au       2.132449000     16.373489000      2.475745000
Au       2.026115000     14.973353000     -0.052444000
Au       1.810640000     13.166241000      2.165591000
Au      -0.101191000     14.859504000      3.510213000
N        0.838518000     14.951921000      1.657970000
P        3.528162000     17.954466000      3.264334000
C        2.980812000     18.792117000      4.782911000
C        1.932342000     18.221277000      5.516618000
C        1.487664000     18.829842000      6.689570000
C        2.086058000     20.009812000      7.132262000
C        3.128024000     20.587215000      6.398771000
C        3.573403000     19.985350000      5.222814000
C        3.804858000     19.287783000      2.049046000
C        2.730622000     19.647174000      1.219816000
C        2.864269000     20.706944000      0.325636000
C        4.070988000     21.407774000      0.248151000
C        5.149002000     21.038053000      1.055008000
C        5.020227000     19.977940000      1.954050000
C        5.183430000     17.274366000      3.608354000
C        5.764764000     16.463816000      2.617214000
C        7.031363000     15.922913000      2.815546000
C        7.716909000     16.168072000      4.010917000
C        7.128425000     16.946725000      5.008894000
C        5.862573000     17.502836000      4.809782000
P        3.556375000     14.868958000     -1.691715000
C        5.180858000     14.376685000     -1.011793000
C        5.218894000     13.539807000      0.112504000
C        6.440294000     13.083812000      0.602673000
C        7.630479000     13.470658000     -0.016647000
C        7.599027000     14.325318000     -1.121286000
C        6.378130000     14.780159000     -1.621055000
C        3.921559000     16.428753000     -2.553680000
C        4.077101000     16.503038000     -3.943021000
C        4.415740000     17.719684000     -4.539913000
C        4.605749000     18.856188000     -3.752826000
C        4.445622000     18.783455000     -2.365538000
C        4.095186000     17.576917000     -1.764515000
C        3.189397000     13.638023000     -2.985021000
C        1.849469000     13.297381000     -3.219825000
C        1.528772000     12.362685000     -4.203955000
C        2.543417000     11.761860000     -4.953711000
C        3.879738000     12.094764000     -4.716587000
C        4.205447000     13.028009000     -3.732868000
P        2.896658000     11.232117000      2.563136000
C        3.646682000     10.604825000      1.026522000
C        2.950306000     10.820931000     -0.174161000
C        3.499266000     10.402960000     -1.383285000
C        4.748004000      9.776693000     -1.402852000
C        5.442316000      9.558220000     -0.211701000
C        4.894455000      9.970589000      1.004515000
C        1.902706000      9.869005000      3.233686000
C        2.212058000      8.531615000      2.948724000
C        1.431933000      7.508963000      3.488282000
C        0.339225000      7.818425000      4.302331000
C        0.024431000      9.151549000      4.578609000
C        0.802598000     10.178888000      4.047743000
C        4.288402000     11.460811000      3.714866000
C        4.737606000     10.430541000      4.550676000
C        5.827756000     10.644404000      5.395928000
C        6.470646000     11.884031000      5.408402000
C        6.018536000     12.915930000      4.581688000
C        4.926581000     12.710518000      3.741212000
P       -0.508728000     14.714682000      5.709756000
C       -1.166822000     13.122491000      6.300145000
C       -2.423157000     12.707607000      5.828319000
C       -2.959393000     11.494578000      6.254053000
C       -2.239446000     10.682432000      7.137148000
C       -0.981686000     11.083781000      7.589687000
C       -0.442613000     12.303963000      7.174831000
C       -1.567596000     15.985574000      6.464420000
C       -1.621484000     17.248409000      5.857140000
C       -2.340807000     18.279517000      6.459500000
C       -3.017628000     18.049934000      7.660126000
C       -2.978123000     16.787795000      8.258465000
C       -2.253718000     15.754790000      7.664493000
C        1.107896000     14.943795000      6.539433000
C        1.184989000     15.489310000      7.828666000
C        2.428908000     15.758216000      8.399943000
C        3.599857000     15.493467000      7.686295000
C        3.528257000     14.930468000      6.411031000
C        2.289617000     14.648469000      5.840660000
H        2.238502000     14.225093000      4.837536000
H        4.435856000     14.715831000      5.851122000
H        4.569523000     15.727488000      8.125026000
H        2.480936000     16.193299000      9.396855000
H        0.273486000     15.728654000      8.376148000
H        0.539575000     12.618342000      7.526529000
H       -0.413210000     10.446855000      8.265379000
H       -2.659076000      9.732132000      7.465967000
H       -3.937840000     11.178906000      5.893718000
H       -2.976375000     13.338223000      5.131630000
H       -2.223594000     14.768531000      8.127224000
H       -3.515033000     16.605835000      9.187958000
H       -3.586814000     18.853039000      8.125377000
H       -2.378854000     19.259893000      5.987458000
H       -1.099129000     17.414010000      4.913868000
H        8.707925000     15.742126000      4.164663000
H        7.473936000     15.299909000      2.040540000
H        5.220649000     16.252399000      1.695591000
H        7.655769000     17.130372000      5.944209000
H        5.401121000     18.109334000      5.587193000
H        1.468055000     17.303183000      5.156204000
H        0.667379000     18.383611000      7.249101000
H        1.733226000     20.488828000      8.045864000
H        3.584969000     21.516095000      6.736661000
H        4.368251000     20.449088000      4.640287000
H        5.864685000     19.681611000      2.575834000
H        6.093968000     21.574410000      0.983588000
H        4.173672000     22.237360000     -0.450587000
H        2.029759000     20.980744000     -0.317108000
H        1.796753000     19.086020000      1.276284000
H        3.952776000     17.525167000     -0.683572000
H        4.586279000     19.667204000     -1.746969000
H        4.874411000     19.803270000     -4.220515000
H        4.531977000     17.775956000     -5.621190000
H        3.932931000     15.614931000     -4.557009000
H        5.248443000     13.270759000     -3.534856000
H        4.671723000     11.620750000     -5.294592000
H        2.293039000     11.028482000     -5.719316000
H        0.487066000     12.099896000     -4.381752000
H        1.065583000     13.760807000     -2.618264000
H        1.989914000     11.337473000     -0.155662000
H        2.958351000     10.578603000     -2.312178000
H        5.181494000      9.463808000     -2.352034000
H        6.416965000      9.073507000     -0.227542000
H        5.443162000      9.816141000      1.932939000
H        4.226605000      9.468064000      4.547415000
H        7.317916000     12.050118000      6.072741000
H        6.508832000     13.887405000      4.593494000
H        4.555327000     13.521117000      3.113098000
H        6.171334000      9.842910000      6.048492000
H        3.049304000      8.294541000      2.293413000
H        1.669999000      6.470529000      3.261585000
H       -0.277120000      7.017745000      4.710776000
H       -0.834784000      9.397777000      5.197731000
H        0.548801000     11.221392000      4.246687000
H        6.354372000     15.454939000     -2.476779000
H        8.525903000     14.641814000     -1.596338000
H        8.584844000     13.111975000      0.367684000
H        6.459249000     12.431373000      1.473832000
H        4.285550000     13.253234000      0.597337000

141
[PAu4(PPh3)4]+ Tetrahedro
Au      11.915477000     11.855685000      5.698272000
Au       8.338454000     11.832303000      4.542290000
Au       9.673985000      9.131647000      6.976132000
Au      10.579334000      9.088249000      3.323305000
P       11.034670000      7.680304000      1.547426000
C        9.858667000      6.299556000      1.391080000
C        9.584779000      5.705851000      0.151630000
C        8.706550000      4.625225000      0.077352000
C        8.092914000      4.139932000      1.234836000
C        8.355593000      4.737415000      2.470835000
C        9.234882000      5.816036000      2.551597000
C       12.674492000      6.900513000      1.705414000
C       13.709706000      7.644811000      2.294487000
C       14.975579000      7.080231000      2.440747000
C       15.215258000      5.772524000      2.008195000
C       14.186004000      5.029467000      1.426189000
C       12.916259000      5.589264000      1.275673000
C       11.024055000      8.486346000     -0.084976000
C       11.898544000      8.094698000     -1.107157000
C       11.815245000      8.698538000     -2.362961000
C       10.865200000      9.694262000     -2.600191000
C        9.999302000     10.094251000     -1.577974000
C       10.078662000      9.497572000     -0.320397000
H       10.050160000      6.095274000     -0.753120000
H        8.495669000      4.168129000     -0.887829000
H        7.399148000      3.302811000      1.171532000
H        7.867274000      4.368521000      3.371326000
H        9.433443000      6.298595000      3.510092000
H       13.510443000      8.657958000      2.646071000
H       15.775916000      7.655803000      2.903285000
H       16.202379000      5.329209000      2.133046000
H       14.367645000      4.008044000      1.095421000
H       12.109424000      5.003486000      0.836818000
H       12.644730000      7.322891000     -0.918052000
H       12.496045000      8.391925000     -3.155875000
H       10.804348000     10.165210000     -3.581486000
H        9.263245000     10.875507000     -1.761834000
H        9.413327000      9.811777000      0.484895000
P        9.188160000      7.765763000      8.775193000
C       10.382911000      6.414852000      9.018268000
C       10.641904000      5.887307000     10.290566000
C       11.534076000      4.824340000     10.433170000
C       12.174036000      4.290814000      9.311752000
C       11.926033000      4.823044000      8.042639000
C       11.035400000      5.884845000      7.893698000
C        7.572019000      6.950144000      8.572715000
C        6.565393000      7.641238000      7.879318000
C        5.317712000      7.048512000      7.691831000
C        5.069640000      5.764747000      8.187088000
C        6.071211000      5.074707000      8.873610000
C        7.322277000      5.662682000      9.065790000
C        9.126713000      8.613303000     10.385064000
C        8.189193000      8.272308000     11.367970000
C        8.219111000      8.910752000     12.609501000
C        9.179717000      9.889333000     12.871060000
C       10.110794000     10.236404000     11.887281000
C       10.085082000      9.605825000     10.644767000
H       10.152768000      6.312974000     11.166521000
H       11.735665000      4.419062000     11.424007000
H       12.875968000      3.466255000      9.428674000
H       12.436524000      4.417551000      7.170318000
H       10.849907000      6.317483000      6.909006000
H        6.774913000      8.634435000      7.478365000
H        4.539687000      7.583208000      7.149533000
H        4.097630000      5.298267000      8.030172000
H        5.882625000      4.072155000      9.254131000
H        8.108773000      5.117323000      9.586418000
H        7.437036000      7.511898000     11.160645000
H        7.488234000      8.644157000     13.371454000
H        9.198941000     10.387499000     13.840203000
H       10.855868000     11.003996000     12.089528000
H       10.803845000      9.877814000      9.870871000
P       13.669095000     13.244683000      6.277196000
C       15.195385000     12.884649000      5.352622000
C       16.111920000     13.883442000      4.999687000
C       17.288641000     13.542357000      4.331891000
C       17.553092000     12.209084000      4.011653000
C       16.635231000     11.212053000      4.354348000
C       15.457309000     11.546001000      5.019767000
C       14.148190000     13.147671000      8.032599000
C       13.128534000     13.008059000      8.987912000
C       13.446331000     12.982399000     10.344431000
C       14.777997000     13.086866000     10.754747000
C       15.794123000     13.214114000      9.805260000
C       15.483381000     13.241701000      8.445252000
C       13.293795000     15.006082000      6.001419000
C       13.934109000     16.017571000      6.731797000
C       13.619195000     17.354383000      6.490331000
C       12.659109000     17.686664000      5.530664000
C       12.011120000     16.680721000      4.809114000
C       12.325702000     15.342632000      5.042283000
H       15.901959000     14.924998000      5.239455000
H       17.996563000     14.321689000      4.055373000
H       18.469814000     11.947672000      3.484693000
H       16.837009000     10.173488000      4.096021000
H       14.729124000     10.776550000      5.279677000
H       12.092018000     12.916144000      8.659692000
H       12.655665000     12.879764000     11.085707000
H       15.024085000     13.063369000     11.815591000
H       16.833059000     13.290028000     10.122397000
H       16.277741000     13.330926000      7.704359000
H       14.663799000     15.757945000      7.498314000
H       14.118465000     18.137255000      7.059131000
H       12.410333000     18.731798000      5.350624000
H       11.252457000     16.936749000      4.071803000
H       11.812499000     14.550365000      4.495803000
P        6.633190000     13.277177000      3.957332000
C        5.074290000     12.944592000      4.835754000
C        4.202840000     13.965505000      5.235427000
C        3.004080000     13.644855000      5.874267000
C        2.674408000     12.310462000      6.118218000
C        3.546000000     11.290221000      5.726323000
C        4.744265000     11.603024000      5.089654000
C        6.191485000     13.249202000      2.189794000
C        7.227710000     13.121838000      1.250677000
C        6.936282000     13.148549000     -0.111777000
C        5.613683000     13.292643000     -0.544065000
C        4.581081000     13.406899000      0.389110000
C        4.866195000     13.384358000      1.754956000
C        7.065061000     15.014951000      4.293668000
C        6.473421000     16.068013000      3.580742000
C        6.834981000     17.385783000      3.859967000
C        7.790502000     17.657604000      4.843254000
C        8.387152000     16.610240000      5.550399000
C        8.028015000     15.290683000      5.277109000
H        4.464561000     15.007452000      5.055028000
H        2.329432000     14.440607000      6.186025000
H        1.740834000     12.064573000      6.621943000
H        3.292569000     10.249904000      5.924013000
H        5.437008000     10.813886000      4.792792000
H        8.256529000     13.000660000      1.595657000
H        7.740473000     13.057495000     -0.840746000
H        5.388717000     13.311968000     -1.609503000
H        3.549326000     13.511443000      0.055358000
H        4.060212000     13.466014000      2.483741000
H        5.744785000     15.854853000      2.798486000
H        6.376501000     18.200433000      3.301661000
H        8.075940000     18.688168000      5.052824000
H        9.142036000     16.819110000      6.306488000
H        8.504447000     14.465763000      5.809056000
P       10.132831000     10.469362000      5.133395000

141
[PAu4(PPh3)4]+ Planar
Au       1.535564000     16.829212000      1.977072000
Au       2.205553000     14.851852000      0.016455000
Au       1.014464000     13.034666000      1.842715000
Au      -0.052354000     15.018859000      3.537698000
P        0.023909000     15.139917000      1.104760000
P        3.030827000     18.378726000      2.782500000
C        2.576196000     19.145436000      4.368152000
C        1.744247000     18.412325000      5.226835000
C        1.440168000     18.906219000      6.493191000
C        1.952011000     20.140277000      6.900124000
C        2.760476000     20.885498000      6.037042000
C        3.074824000     20.391715000      4.770551000
C        3.391133000     19.769953000      1.660418000
C        2.322568000     20.294447000      0.917731000
C        2.522542000     21.397370000      0.090341000
C        3.790118000     21.976857000     -0.008078000
C        4.859870000     21.444661000      0.713284000
C        4.664506000     20.341031000      1.545406000
C        4.637015000     17.572620000      3.103332000
C        4.956231000     16.417040000      2.375316000
C        6.164296000     15.761766000      2.599500000
C        7.058019000     16.250987000      3.555066000
C        6.740173000     17.396237000      4.289678000
C        5.530926000     18.055199000      4.068341000
P        3.995740000     14.704445000     -1.413690000
C        5.568366000     14.155577000     -0.670636000
C        5.544293000     13.024803000      0.158307000
C        6.719652000     12.570566000      0.752078000
C        7.924920000     13.240872000      0.521881000
C        7.949886000     14.369644000     -0.299258000
C        6.774395000     14.832193000     -0.893918000
C        4.384786000     16.309284000     -2.170424000
C        4.856083000     16.422136000     -3.484640000
C        5.182020000     17.678515000     -3.997014000
C        5.043322000     18.817581000     -3.199942000
C        4.568065000     18.706296000     -1.890302000
C        4.231986000     17.456659000     -1.376788000
C        3.689004000     13.541352000     -2.781317000
C        2.362714000     13.332022000     -3.187588000
C        2.083635000     12.453552000     -4.233028000
C        3.125130000     11.775647000     -4.872729000
C        4.445947000     11.978336000     -4.465783000
C        4.730709000     12.858150000     -3.420921000
P        2.122766000     11.121994000      2.448301000
C        3.112176000     10.505286000      1.046441000
C        2.630321000     10.737308000     -0.251437000
C        3.362962000     10.308235000     -1.355686000
C        4.582188000      9.653394000     -1.171709000
C        5.066319000      9.420594000      0.117663000
C        4.336537000      9.846229000      1.226914000
C        1.155640000      9.714058000      3.064213000
C        1.687715000      8.416185000      3.094332000
C        0.917185000      7.362397000      3.580616000
C       -0.388678000      7.597030000      4.024488000
C       -0.920015000      8.887058000      3.990174000
C       -0.150142000      9.949252000      3.515543000
C        3.371894000     11.471758000      3.726944000
C        3.432233000     10.766570000      4.933523000
C        4.429899000     11.065706000      5.864520000
C        5.375965000     12.052437000      5.585869000
C        5.310514000     12.762822000      4.382663000
C        4.301527000     12.492290000      3.465528000
P        0.025185000     14.716072000      5.808707000
C       -0.312311000     12.998254000      6.306359000
C       -1.623479000     12.510393000      6.172391000
C       -1.916049000     11.198868000      6.534448000
C       -0.901996000     10.360190000      7.009786000
C        0.404650000     10.835679000      7.114841000
C        0.704823000     12.154109000      6.764970000
C       -1.089173000     15.728557000      6.826485000
C       -1.513556000     16.963766000      6.316608000
C       -2.317861000     17.798382000      7.091337000
C       -2.708857000     17.398686000      8.371511000
C       -2.299121000     16.161880000      8.876529000
C       -1.491442000     15.325270000      8.107473000
C        1.705389000     15.099264000      6.398209000
C        1.949386000     15.468635000      7.728236000
C        3.235915000     15.831025000      8.123453000
C        4.279977000     15.826837000      7.195009000
C        4.041952000     15.444257000      5.874993000
C        2.760045000     15.079454000      5.473187000
H        2.566574000     14.800015000      4.436643000
H        4.852138000     15.441588000      5.149868000
H        5.280882000     16.129353000      7.500434000
H        3.420041000     16.128875000      9.154400000
H        1.131859000     15.494061000      8.447371000
H        1.724769000     12.527974000      6.851629000
H        1.195239000     10.180844000      7.477841000
H       -1.131360000      9.333222000      7.289957000
H       -2.936873000     10.829137000      6.445580000
H       -2.411715000     13.164640000      5.798229000
H       -1.181783000     14.354470000      8.492900000
H       -2.614358000     15.845666000      9.869668000
H       -3.344073000     18.047034000      8.973432000
H       -2.647601000     18.755587000      6.691065000
H       -1.214469000     17.261437000      5.310712000
H        8.001207000     15.734495000      3.731691000
H        6.402042000     14.864247000      2.032437000
H        4.241531000     16.017093000      1.652513000
H        7.429889000     17.773622000      5.043187000
H        5.268781000     18.929411000      4.663252000
H        1.339966000     17.456931000      4.890635000
H        0.797472000     18.329738000      7.157027000
H        1.709992000     20.528417000      7.888784000
H        3.143765000     21.856344000      6.347800000
H        3.696587000     20.977052000      4.093187000
H        5.502638000     19.918709000      2.097500000
H        5.851475000     21.884879000      0.624702000
H        3.945311000     22.836960000     -0.658056000
H        1.690696000     21.800245000     -0.483900000
H        1.338751000     19.828727000      0.988101000
H        3.835708000     17.368729000     -0.364614000
H        4.446491000     19.593274000     -1.271488000
H        5.294830000     19.797450000     -3.604321000
H        5.540052000     17.766913000     -5.021768000
H        4.958049000     15.533453000     -4.106872000
H        5.759340000     13.004182000     -3.092257000
H        5.257153000     11.446879000     -4.960576000
H        2.905436000     11.084600000     -5.685665000
H        1.052731000     12.291711000     -4.544076000
H        1.553862000     13.851345000     -2.670685000
H        1.691785000     11.276346000     -0.387063000
H        2.988265000     10.498802000     -2.359846000
H        5.160747000      9.331271000     -2.036487000
H        6.020249000      8.915093000      0.259250000
H        4.726239000      9.690267000      2.232827000
H        2.700654000      9.987281000      5.141495000
H        6.158879000     12.278061000      6.309107000
H        6.035775000     13.544170000      4.166110000
H        4.231206000     13.069416000      2.543196000
H        4.470495000     10.519295000      6.805780000
H        2.696195000      8.230153000      2.726882000
H        1.329292000      6.354251000      3.599290000
H       -0.994988000      6.767550000      4.387383000
H       -1.938972000      9.068545000      4.326900000
H       -0.556570000     10.961973000      3.487555000
H        6.792577000     15.719696000     -1.525162000
H        8.885328000     14.898086000     -0.476334000
H        8.843299000     12.886779000      0.988351000
H        6.687367000     11.698179000      1.401474000
H        4.603213000     12.503141000      0.333068000

141
[AsAu4(PPh3)4]+ Tetrahedro
Au      12.074520000     11.949428000      5.726684000
Au       8.285450000     11.990409000      4.469078000
Au       9.552482000      9.151104000      7.078340000
Au      10.730415000      9.058389000      3.262715000
P       11.210517000      7.634550000      1.529672000
C        9.937870000      6.349524000      1.316382000
C        9.644556000      5.807420000      0.057876000
C        8.669507000      4.816675000     -0.062743000
C        7.984452000      4.367424000      1.068235000
C        8.271889000      4.910264000      2.324201000
C        9.243161000      5.902127000      2.450831000
C       12.783848000      6.739544000      1.735488000
C       13.878691000      7.444373000      2.260668000
C       15.106410000      6.803917000      2.417311000
C       15.245854000      5.458356000      2.063716000
C       14.155877000      4.754383000      1.549990000
C       12.924952000      5.391386000      1.384046000
C       11.338001000      8.442734000     -0.097617000
C       12.265511000      8.025772000     -1.060876000
C       12.299338000      8.650260000     -2.309192000
C       11.411714000      9.687422000     -2.597509000
C       10.488904000     10.108329000     -1.634661000
C       10.452866000      9.493161000     -0.384959000
H       10.169667000      6.169306000     -0.824987000
H        8.437114000      4.404010000     -1.043120000
H        7.215820000      3.602384000      0.968705000
H        7.728549000      4.569632000      3.204018000
H        9.457209000      6.347840000      3.423542000
H       13.757358000      8.489035000      2.549191000
H       15.955384000      7.349971000      2.826208000
H       16.203561000      4.957392000      2.196425000
H       14.259168000      3.704968000      1.279487000
H       12.071744000      4.839757000      0.989448000
H       12.961572000      7.219245000     -0.833000000
H       13.025070000      8.327032000     -3.054304000
H       11.443972000     10.174219000     -3.571421000
H        9.802097000     10.922948000     -1.857044000
H        9.745340000      9.824475000      0.376574000
P        8.985244000      7.760466000      8.813623000
C       10.218565000      6.466635000      9.163594000
C       10.402104000      5.962777000     10.457489000
C       11.323576000      4.939155000     10.681015000
C       12.065172000      4.419187000      9.618450000
C       11.889844000      4.925911000      8.327999000
C       10.972340000      5.951058000      8.098402000
C        7.440037000      6.854796000      8.473281000
C        6.444714000      7.498945000      7.721573000
C        5.259148000      6.831119000      7.420140000
C        5.062531000      5.518635000      7.860798000
C        6.051933000      4.875963000      8.607853000
C        7.240891000      5.539929000      8.913045000
C        8.739891000      8.595305000     10.412796000
C        7.742891000      8.200786000     11.312679000
C        7.635512000      8.835273000     12.551653000
C        8.518544000      9.861301000     12.893569000
C        9.508560000     10.261403000     11.991688000
C        9.618668000      9.635879000     10.751767000
H        9.829993000      6.373897000     11.288369000
H       11.466152000      4.552357000     11.689018000
H       12.788446000      3.624649000      9.798192000
H       12.476995000      4.528009000      7.501597000
H       10.841978000      6.364009000      7.097458000
H        6.616684000      8.515297000      7.363145000
H        4.491459000      7.328743000      6.828653000
H        4.141172000      4.993199000      7.614215000
H        5.903245000      3.851124000      8.948503000
H        8.019826000      5.032070000      9.480366000
H        7.051515000      7.403386000     11.042297000
H        6.857085000      8.529690000     13.248401000
H        8.428602000     10.356152000     13.859219000
H       10.190477000     11.067998000     12.252756000
H       10.380866000      9.951167000     10.038908000
P       13.861575000     13.271167000      6.301564000
C       15.332955000     12.971777000      5.271928000
C       16.316817000     13.951252000      5.084798000
C       17.452327000     13.660111000      4.329582000
C       17.606974000     12.395559000      3.754288000
C       16.624039000     11.419297000      3.933908000
C       15.487525000     11.704170000      4.690196000
C       14.442123000     13.065977000      8.017002000
C       13.485771000     13.108656000      9.044562000
C       13.883139000     12.961971000     10.371777000
C       15.232822000     12.761433000     10.682562000
C       16.182505000     12.708124000      9.661925000
C       15.791049000     12.859299000      8.329646000
C       13.478122000     15.047191000      6.160824000
C       14.101175000     16.003562000      6.974364000
C       13.782167000     17.353466000      6.828749000
C       12.842056000     17.752399000      5.874887000
C       12.213136000     16.800221000      5.067901000
C       12.524575000     15.449010000      5.212516000
H       16.190567000     14.939626000      5.524513000
H       18.214861000     14.424358000      4.185481000
H       18.491946000     12.174596000      3.158485000
H       16.739125000     10.437935000      3.476298000
H       14.707692000     10.953677000      4.828919000
H       12.433485000     13.255012000      8.796814000
H       13.139361000     12.998729000     11.167607000
H       15.541929000     12.640202000     11.720168000
H       17.233284000     12.544069000      9.898516000
H       16.533737000     12.812678000      7.534759000
H       14.821956000     15.688761000      7.728946000
H       14.265539000     18.093592000      7.464753000
H       12.595346000     18.807380000      5.765407000
H       11.473358000     17.107685000      4.330425000
H       12.023869000     14.696264000      4.601687000
P        6.545099000     13.386117000      3.917833000
C        5.060447000     13.058541000      4.918850000
C        4.191117000     14.076082000      5.329967000
C        3.042728000     13.758426000      6.057056000
C        2.761689000     12.428970000      6.378038000
C        3.633715000     11.412985000      5.977449000
C        4.783186000     11.724280000      5.253390000
C        5.967954000     13.291167000      2.191033000
C        6.932861000     13.257996000      1.171752000
C        6.533431000     13.205740000     -0.161731000
C        5.173519000     13.175784000     -0.486854000
C        4.213482000     13.201106000      0.525251000
C        4.606624000     13.258349000      1.863558000
C        6.962390000     15.142788000      4.164726000
C        6.283169000     16.161022000      3.480134000
C        6.629973000     17.495262000      3.695933000
C        7.658606000     17.817050000      4.585408000
C        8.342755000     16.804283000      5.262832000
C        7.997636000     15.468936000      5.053751000
H        4.413889000     15.114424000      5.088955000
H        2.369671000     14.552839000      6.377464000
H        1.868045000     12.185442000      6.951518000
H        3.421057000     10.377173000      6.238680000
H        5.476495000     10.939146000      4.948605000
H        7.992944000     13.267629000      1.430831000
H        7.282842000     13.183247000     -0.951966000
H        4.863126000     13.126329000     -1.529661000
H        3.153916000     13.172091000      0.275489000
H        3.857348000     13.269928000      2.653435000
H        5.496785000     15.907353000      2.768989000
H        6.102894000     18.284307000      3.161843000
H        7.932792000     18.859946000      4.743331000
H        9.152163000     17.051261000      5.947985000
H        8.536475000     14.670232000      5.565296000
As      10.151463000     10.542107000      5.141028000

141
[AsAu4(PPh3)4]+ Planar
Au       1.465575000     16.837263000      1.937859000
Au       2.191000000     14.841377000     -0.000474000
Au       0.944489000     13.022636000      1.790143000
Au      -0.105746000     15.003083000      3.514122000
As      -0.203658000     15.166081000      0.952305000
P        2.990037000     18.344391000      2.768372000
C        2.562582000     19.105896000      4.364248000
C        1.740244000     18.375576000      5.232854000
C        1.471165000     18.859175000      6.511366000
C        2.006272000     20.082424000      6.919367000
C        2.802457000     20.827456000      6.045365000
C        3.082430000     20.343218000      4.767471000
C        3.340767000     19.748709000      1.658004000
C        2.264228000     20.283051000      0.932986000
C        2.453218000     21.400768000      0.122842000
C        3.717767000     21.987217000      0.024160000
C        4.795118000     21.445779000      0.727922000
C        4.610656000     20.326855000      1.542154000
C        4.599863000     17.540113000      3.068102000
C        4.902878000     16.370890000      2.356270000
C        6.120497000     15.727037000      2.559639000
C        7.041356000     16.243065000      3.474386000
C        6.739563000     17.401416000      4.194220000
C        5.519671000     18.047331000      3.996500000
P        4.026143000     14.698224000     -1.371896000
C        5.602267000     14.146256000     -0.640515000
C        5.591197000     12.992032000      0.156037000
C        6.771182000     12.536003000      0.739440000
C        7.968922000     13.226437000      0.529271000
C        7.981366000     14.376562000     -0.262027000
C        6.801065000     14.841609000     -0.844401000
C        4.404352000     16.311322000     -2.118738000
C        4.912192000     16.429735000     -3.419523000
C        5.219441000     17.691264000     -3.930045000
C        5.025006000     18.831159000     -3.145289000
C        4.514436000     18.714695000     -1.849741000
C        4.196896000     17.459027000     -1.337873000
C        3.731958000     13.547242000     -2.753795000
C        2.411546000     13.360916000     -3.190073000
C        2.141560000     12.495030000     -4.247982000
C        3.186521000     11.807265000     -4.871982000
C        4.501387000     11.987666000     -4.435973000
C        4.776660000     12.854328000     -3.377728000
P        2.095605000     11.151267000      2.436167000
C        3.096203000     10.517121000      1.048961000
C        2.639139000     10.751514000     -0.257035000
C        3.385717000     10.312365000     -1.348521000
C        4.594722000      9.645200000     -1.143136000
C        5.054815000      9.409970000      0.154941000
C        4.311061000      9.845533000      1.250889000
C        1.125401000      9.753562000      3.072707000
C        1.655896000      8.456699000      3.130346000
C        0.886284000      7.413880000      3.642254000
C       -0.417597000      7.657843000      4.083814000
C       -0.949305000      8.946140000      4.019628000
C       -0.179770000      9.997669000      3.519538000
C        3.345535000     11.507396000      3.710508000
C        3.406468000     10.806727000      4.919489000
C        4.413741000     11.098002000      5.842018000
C        5.369378000     12.071413000      5.551762000
C        5.303373000     12.777281000      4.346737000
C        4.284046000     12.515542000      3.437992000
P        0.032574000     14.694692000      5.780395000
C       -0.316989000     12.988852000      6.307685000
C       -1.635114000     12.514574000      6.204415000
C       -1.935262000     11.210951000      6.588729000
C       -0.922163000     10.365827000      7.054502000
C        0.390884000     10.827248000      7.129249000
C        0.698564000     12.138041000      6.758480000
C       -1.061026000     15.732885000      6.797664000
C       -1.477006000     16.965467000      6.274603000
C       -2.258219000     17.823561000      7.047458000
C       -2.635279000     17.449828000      8.339385000
C       -2.235331000     16.215072000      8.858021000
C       -1.450098000     15.355676000      8.091130000
C        1.718828000     15.065255000      6.355520000
C        1.979159000     15.382570000      7.696277000
C        3.269981000     15.728801000      8.090805000
C        4.302015000     15.761699000      7.149802000
C        4.046665000     15.435128000      5.817834000
C        2.759575000     15.086407000      5.416640000
H        2.550393000     14.851328000      4.371614000
H        4.848301000     15.462123000      5.084352000
H        5.307216000     16.050748000      7.455275000
H        3.467180000     15.984637000      9.130930000
H        1.171118000     15.377209000      8.425886000
H        1.723355000     12.501689000      6.821484000
H        1.181231000     10.166864000      7.482800000
H       -1.158122000      9.344685000      7.350152000
H       -2.960882000     10.851895000      6.523277000
H       -2.422617000     13.173589000      5.837275000
H       -1.149507000     14.386230000      8.487649000
H       -2.540175000     15.918290000      9.860266000
H       -3.254037000     18.115571000      8.939264000
H       -2.580287000     18.778798000      6.636448000
H       -1.188749000     17.242084000      5.259498000
H        7.992861000     15.736243000      3.630806000
H        6.346587000     14.817253000      2.008115000
H        4.169830000     15.953675000      1.661730000
H        7.450961000     17.799779000      4.916851000
H        5.270615000     18.931500000      4.581393000
H        1.317880000     17.429286000      4.895443000
H        0.837866000     18.283078000      7.183966000
H        1.791858000     20.462513000      7.917506000
H        3.203720000     21.790401000      6.357025000
H        3.694847000     20.928770000      4.082313000
H        5.455292000     19.898731000      2.079843000
H        5.784300000     21.891304000      0.639887000
H        3.864726000     22.859480000     -0.611567000
H        1.614858000     21.810555000     -0.437395000
H        1.282341000     19.813404000      1.003877000
H        3.770705000     17.366729000     -0.337870000
H        4.349736000     19.601579000     -1.240981000
H        5.261191000     19.815339000     -3.549011000
H        5.605756000     17.783399000     -4.943992000
H        5.056593000     15.540442000     -4.032474000
H        5.800251000     12.983261000     -3.027569000
H        5.315656000     11.449882000     -4.918990000
H        2.974101000     11.127040000     -5.695784000
H        1.114996000     12.351634000     -4.581895000
H        1.600330000     13.888848000     -2.686190000
H        1.708913000     11.301024000     -0.408332000
H        3.029994000     10.505354000     -2.359151000
H        5.184446000      9.315034000     -1.997339000
H        6.000835000      8.894209000      0.313589000
H        4.683250000      9.688281000      2.263140000
H        2.669130000     10.036019000      5.134980000
H        6.160830000     12.289511000      6.267551000
H        6.036554000     13.548091000      4.122422000
H        4.214619000     13.087573000      2.512553000
H        4.455551000     10.554529000      6.784943000
H        2.663001000      8.262785000      2.765570000
H        1.297772000      6.406640000      3.682942000
H       -1.022271000      6.836940000      4.467879000
H       -1.967684000      9.134552000      4.353157000
H       -0.585337000     11.009340000      3.467939000
H        6.809822000     15.745545000     -1.451806000
H        8.910220000     14.920538000     -0.424928000
H        8.891517000     12.869728000      0.985831000
H        6.748753000     11.644938000      1.363606000
H        4.657294000     12.452610000      0.314437000

141
[SbAu4(PPh3)4]+ Tetrahedro
Au      12.248411000     12.024036000      5.798302000
Au       8.194126000     12.090095000      4.503310000
Au       9.513729000      9.023177000      7.239927000
Au      10.756646000      8.946529000      3.181946000
P       11.218259000      7.542338000      1.407720000
C        9.970393000      6.235541000      1.181012000
C        9.612503000      5.770913000     -0.091588000
C        8.661214000      4.758715000     -0.219751000
C        8.067926000      4.207343000      0.918188000
C        8.420844000      4.671353000      2.188880000
C        9.366018000      5.687044000      2.323047000
C       12.808988000      6.666188000      1.551611000
C       13.924472000      7.389621000      2.003371000
C       15.162184000      6.758856000      2.115580000
C       15.290808000      5.403853000      1.793533000
C       14.180274000      4.681857000      1.353578000
C       12.939346000      5.309674000      1.230467000
C       11.290297000      8.398182000     -0.197494000
C       12.147309000      7.974016000     -1.221109000
C       12.127557000      8.622603000     -2.456853000
C       11.257556000      9.693896000     -2.671488000
C       10.408605000     10.124041000     -1.647919000
C       10.424435000      9.481941000     -0.411073000
H       10.069083000      6.208174000     -0.979657000
H        8.378747000      4.406116000     -1.211061000
H        7.320648000      3.421788000      0.813926000
H        7.948455000      4.250821000      3.075670000
H        9.630870000      6.071069000      3.309824000
H       13.813428000      8.441897000      2.269638000
H       16.027942000      7.321100000      2.463169000
H       16.256343000      4.908949000      1.891466000
H       14.277368000      3.625237000      1.105903000
H       12.071390000      4.745911000      0.890381000
H       12.828725000      7.141184000     -1.049191000
H       12.795286000      8.291991000     -3.251796000
H       11.248214000     10.200776000     -3.635603000
H        9.739028000     10.967131000     -1.812492000
H        9.773814000      9.817777000      0.397446000
P        8.903532000      7.622258000      8.968842000
C       10.112249000      6.305788000      9.313726000
C       10.317596000      5.807369000     10.606411000
C       11.222515000      4.765364000     10.813646000
C       11.922444000      4.220629000      9.735287000
C       11.724811000      4.721225000      8.445342000
C       10.825498000      5.765295000      8.232656000
C        7.347509000      6.742277000      8.618237000
C        6.329070000      7.443748000      7.954153000
C        5.126590000      6.806316000      7.655619000
C        4.937699000      5.466177000      8.007013000
C        5.951460000      4.765800000      8.662553000
C        7.156503000      5.400492000      8.969521000
C        8.638939000      8.473161000     10.554900000
C        7.717905000      8.003337000     11.500251000
C        7.573975000      8.667370000     12.719387000
C        8.341768000      9.801132000     12.995283000
C        9.254027000     10.276264000     12.049579000
C        9.401960000      9.618178000     10.829398000
H        9.777010000      6.237652000     11.448263000
H       11.384125000      4.383831000     11.820484000
H       12.632675000      3.410748000      9.901488000
H       12.281535000      4.305829000      7.606466000
H       10.678284000      6.174598000      7.232408000
H        6.492907000      8.482467000      7.663912000
H        4.339156000      7.350127000      7.136326000
H        4.001856000      4.965318000      7.761091000
H        5.810170000      3.720114000      8.931058000
H        7.952147000      4.850762000      9.471137000
H        7.109487000      7.126461000     11.277684000
H        6.855179000      8.302839000     13.451220000
H        8.219942000     10.322208000     13.944496000
H        9.843077000     11.168265000     12.259061000
H       10.099370000      9.991373000     10.077927000
P       14.055625000     13.355296000      6.347528000
C       15.557373000     12.913955000      5.418093000
C       16.540727000     13.855531000      5.089547000
C       17.696156000     13.448969000      4.422440000
C       17.870659000     12.106828000      4.076452000
C       16.885090000     11.168019000      4.391568000
C       15.729096000     11.567878000      5.058414000
C       14.554670000     13.302221000      8.099221000
C       13.544179000     13.227906000      9.070348000
C       13.877212000     13.239046000     10.423084000
C       15.217015000     13.316701000     10.813538000
C       16.223760000     13.379510000      9.849476000
C       15.896540000     13.370022000      8.492694000
C       13.737681000     15.120698000      6.021365000
C       14.379651000     16.134856000      6.744786000
C       14.091335000     17.472070000      6.472100000
C       13.158968000     17.801914000      5.485306000
C       12.512055000     16.793239000      4.767015000
C       12.797694000     15.455018000      5.034129000
H       16.400289000     14.903985000      5.349900000
H       18.458820000     14.182974000      4.167779000
H       18.772244000     11.793039000      3.552236000
H       17.014393000     10.123232000      4.110593000
H       14.948380000     10.844458000      5.298190000
H       12.501873000     13.156216000      8.758035000
H       13.092702000     13.178093000     11.175129000
H       15.476822000     13.317223000     11.871751000
H       17.268474000     13.429118000     10.150834000
H       16.683728000     13.406863000      7.740954000
H       15.087642000     15.877807000      7.532451000
H       14.588193000     18.256960000      7.039349000
H       12.929522000     18.847357000      5.281952000
H       11.775682000     17.047769000      4.006273000
H       12.282316000     14.660326000      4.493262000
P        6.451566000     13.495399000      3.936308000
C        4.958809000     13.201087000      4.937192000
C        4.066392000     14.224041000      5.280544000
C        2.914747000     13.924967000      6.009207000
C        2.653311000     12.609735000      6.399999000
C        3.547093000     11.588754000      6.067143000
C        4.699548000     11.881281000      5.340705000
C        5.889515000     13.352108000      2.208552000
C        6.864948000     13.188884000      1.212200000
C        6.485526000     13.100708000     -0.125137000
C        5.133826000     13.168513000     -0.475306000
C        4.161743000     13.321755000      0.514824000
C        4.535911000     13.411471000      1.856669000
C        6.891838000     15.251628000      4.138724000
C        6.225960000     16.266432000      3.437352000
C        6.602955000     17.597008000      3.617497000
C        7.650915000     17.917411000      4.485834000
C        8.323496000     16.907768000      5.177494000
C        7.945591000     15.576576000      5.007326000
H        4.274676000     15.252370000      4.986605000
H        2.223763000     14.722558000      6.277532000
H        1.758108000     12.381955000      6.976382000
H        3.351733000     10.565698000      6.385486000
H        5.413164000     11.094595000      5.091118000
H        7.916622000     13.123870000      1.494675000
H        7.243248000     12.972302000     -0.897175000
H        4.837703000     13.092756000     -1.521075000
H        3.107423000     13.364676000      0.245786000
H        3.775709000     13.518290000      2.629966000
H        5.429041000     16.013163000      2.738054000
H        6.085071000     18.384466000      3.071499000
H        7.949319000     18.957013000      4.615846000
H        9.148722000     17.154781000      5.844200000
H        8.474831000     14.778194000      5.530439000
Sb      10.180671000     10.529162000      5.197961000

141
[SbAu4(PPh3)4]+ Planar
Au       1.417714000     16.858934000      1.902728000
Au       2.217164000     14.830245000     -0.016037000
Au       0.922411000     13.046711000      1.785294000
Au      -0.210477000     15.028832000      3.488431000
Sb      -0.413772000     15.208627000      0.770642000
P        2.975670000     18.328278000      2.763375000
C        2.547051000     19.074034000      4.365694000
C        1.752752000     18.316442000      5.237938000
C        1.491266000     18.780162000      6.525246000
C        2.001793000     20.013135000      6.936870000
C        2.765980000     20.786844000      6.058292000
C        3.042590000     20.320562000      4.772632000
C        3.326788000     19.737750000      1.659935000
C        2.246881000     20.288240000      0.951742000
C        2.440644000     21.400790000      0.136140000
C        3.713308000     21.965663000      0.014882000
C        4.792928000     21.409643000      0.703673000
C        4.603870000     20.295772000      1.523715000
C        4.584710000     17.522022000      3.056641000
C        4.897076000     16.370490000      2.319712000
C        6.114786000     15.725693000      2.518650000
C        7.024968000     16.221496000      3.454872000
C        6.712738000     17.360865000      4.200564000
C        5.493372000     18.009013000      4.006232000
P        4.069161000     14.687658000     -1.379271000
C        5.658274000     14.147632000     -0.667909000
C        5.673232000     12.971056000      0.095946000
C        6.858603000     12.534943000      0.682777000
C        8.037191000     13.267051000      0.508428000
C        8.025129000     14.437402000     -0.252843000
C        6.838430000     14.882884000     -0.838480000
C        4.423106000     16.303689000     -2.132564000
C        4.943091000     16.421589000     -3.429208000
C        5.228513000     17.684589000     -3.948941000
C        4.999938000     18.826934000     -3.177289000
C        4.477565000     18.710969000     -1.885922000
C        4.182233000     17.453430000     -1.365004000
C        3.760285000     13.535627000     -2.757043000
C        2.435987000     13.363874000     -3.188577000
C        2.151877000     12.498144000     -4.242507000
C        3.186329000     11.794104000     -4.866349000
C        4.504721000     11.960768000     -4.436064000
C        4.794711000     12.828997000     -3.382656000
P        2.134253000     11.221058000      2.483379000
C        3.119245000     10.565063000      1.093418000
C        2.657617000     10.796404000     -0.211693000
C        3.388456000     10.335623000     -1.305202000
C        4.585930000      9.647688000     -1.103181000
C        5.050157000      9.414030000      0.193904000
C        4.322342000      9.871687000      1.291516000
C        1.160817000      9.838503000      3.152554000
C        1.726882000      8.570139000      3.354180000
C        0.949116000      7.537726000      3.873545000
C       -0.397236000      7.762030000      4.180660000
C       -0.962796000      9.021384000      3.976354000
C       -0.185961000     10.063336000      3.467823000
C        3.398501000     11.589137000      3.739550000
C        3.379068000     11.011596000      5.013541000
C        4.390901000     11.311416000      5.928162000
C        5.430809000     12.168255000      5.567752000
C        5.443696000     12.754330000      4.298670000
C        4.420625000     12.488445000      3.395695000
P       -0.003081000     14.673287000      5.750614000
C       -0.398803000     12.974831000      6.269538000
C       -1.722177000     12.526490000      6.118553000
C       -2.068753000     11.239155000      6.517254000
C       -1.095684000     10.382523000      7.043702000
C        0.223465000     10.817340000      7.167497000
C        0.575839000     12.113659000      6.784832000
C       -1.053277000     15.723823000      6.801356000
C       -1.462059000     16.967313000      6.299200000
C       -2.218794000     17.826962000      7.094549000
C       -2.578314000     17.444012000      8.388377000
C       -2.186025000     16.197773000      8.886563000
C       -1.427178000     15.336212000      8.095836000
C        1.703997000     14.984527000      6.296631000
C        2.005756000     15.241016000      7.641321000
C        3.314705000     15.540366000      8.015188000
C        4.322564000     15.591215000      7.049299000
C        4.025275000     15.329621000      5.712117000
C        2.721006000     15.022988000      5.331890000
H        2.480400000     14.836690000      4.283607000
H        4.807263000     15.371008000      4.958595000
H        5.342289000     15.843608000      7.339571000
H        3.544470000     15.746997000      9.059720000
H        1.216377000     15.224255000      8.391043000
H        1.603718000     12.459998000      6.887290000
H        0.982019000     10.147903000      7.570890000
H       -1.367368000      9.373286000      7.349788000
H       -3.099030000     10.900738000      6.414716000
H       -2.477855000     13.194236000      5.703041000
H       -1.136692000     14.356679000      8.474981000
H       -2.479075000     15.892599000      9.890141000
H       -3.177357000     18.111603000      9.006467000
H       -2.534043000     18.791489000      6.699845000
H       -1.187065000     17.252101000      5.282952000
H        7.975973000     15.712460000      3.608951000
H        6.348784000     14.829168000      1.949037000
H        4.170128000     15.966307000      1.610498000
H        7.415043000     17.742297000      4.940997000
H        5.236339000     18.879536000      4.608422000
H        1.346470000     17.364443000      4.896632000
H        0.882370000     18.181726000      7.201507000
H        1.793076000     20.378281000      7.941681000
H        3.146620000     21.757105000      6.374087000
H        3.634316000     20.925057000      4.085227000
H        5.449936000     19.855372000      2.049589000
H        5.787883000     21.838831000      0.598421000
H        3.864556000     22.832658000     -0.626864000
H        1.599901000     21.822794000     -0.411366000
H        1.258988000     19.833614000      1.039499000
H        3.747124000     17.361048000     -0.368678000
H        4.286082000     19.599372000     -1.287475000
H        5.218498000     19.812517000     -3.587733000
H        5.623386000     17.775638000     -4.960128000
H        5.114087000     15.530264000     -4.032281000
H        5.821207000     12.948274000     -3.037450000
H        5.310568000     11.411123000     -4.920052000
H        2.962745000     11.113103000     -5.686594000
H        1.122936000     12.367828000     -4.574485000
H        1.633107000     13.904540000     -2.684736000
H        1.736435000     11.361032000     -0.361439000
H        3.029074000     10.527293000     -2.314781000
H        5.163514000      9.300184000     -1.958794000
H        5.986418000      8.880191000      0.350229000
H        4.699790000      9.716114000      2.301517000
H        2.578335000     10.325904000      5.283920000
H        6.225287000     12.389846000      6.279199000
H        6.241700000     13.438358000      4.018730000
H        4.416824000     12.969185000      2.417726000
H        4.371681000     10.863609000      6.920893000
H        2.769445000      8.389081000      3.096626000
H        1.387565000      6.552215000      4.024124000
H       -1.006716000      6.947781000      4.571485000
H       -2.011826000      9.195022000      4.207629000
H       -0.618093000     11.053298000      3.306785000
H        6.827109000     15.803451000     -1.420388000
H        8.939454000     15.013064000     -0.387430000
H        8.963104000     12.926527000      0.970046000
H        6.855603000     11.626889000      1.282992000
H        4.754127000     12.400202000      0.227439000

141
[BiAu4(PPh3)4]+ Tetrahedro
Au      12.212362000     11.958320000      5.748723000
Au       8.002855000     12.046818000      4.492675000
Au       9.368018000      8.813926000      7.279845000
Au      10.699722000      8.766182000      3.068230000
P       11.226860000      7.475459000      1.233679000
C       10.029021000      6.155242000      0.869958000
C        9.717766000      5.779973000     -0.442705000
C        8.828921000      4.729432000     -0.672789000
C        8.249253000      4.054038000      0.402748000
C        8.553148000      4.431469000      1.714151000
C        9.437664000      5.482705000      1.950296000
C       12.825928000      6.618461000      1.400971000
C       13.883342000      7.305934000      2.016922000
C       15.123064000      6.686897000      2.160576000
C       15.311738000      5.379217000      1.703684000
C       14.259045000      4.692609000      1.096276000
C       13.016626000      5.309368000      0.942711000
C       11.358142000      8.441935000     -0.304125000
C       12.238819000      8.071532000     -1.329010000
C       12.285906000      8.815751000     -2.507757000
C       11.459300000      9.929865000     -2.666400000
C       10.583030000     10.303571000     -1.643881000
C       10.531977000      9.564964000     -0.462426000
H       10.165580000      6.309979000     -1.282430000
H        8.587736000      4.442024000     -1.694925000
H        7.552691000      3.237262000      0.217686000
H        8.091769000      3.912850000      2.553365000
H        9.668058000      5.795117000      2.969684000
H       13.723094000      8.319011000      2.388369000
H       15.942506000      7.219286000      2.640086000
H       16.278375000      4.892695000      1.828710000
H       14.400901000      3.671609000      0.744864000
H       12.193217000      4.770753000      0.474588000
H       12.890461000      7.207995000     -1.199983000
H       12.975014000      8.528896000     -3.300037000
H       11.506559000     10.513910000     -3.584970000
H        9.947250000     11.179750000     -1.762978000
H        9.863035000      9.858722000      0.347474000
P        8.810979000      7.425718000      9.036577000
C        9.986967000      6.058606000      9.287228000
C       10.283343000      5.566210000     10.565053000
C       11.148500000      4.480784000     10.707842000
C       11.720910000      3.887341000      9.580016000
C       11.434142000      4.382897000      8.304899000
C       10.572127000      5.468573000      8.156092000
C        7.193984000      6.612487000      8.822841000
C        6.150397000      7.349811000      8.241164000
C        4.897877000      6.763515000      8.068539000
C        4.683237000      5.439786000      8.463631000
C        5.721441000      4.703948000      9.038558000
C        6.976180000      5.287120000      9.220048000
C        8.718364000      8.260293000     10.649695000
C        7.799542000      7.866685000     11.631381000
C        7.796026000      8.501492000     12.874049000
C        8.703135000      9.529696000     13.138626000
C        9.615643000      9.928343000     12.157100000
C        9.623319000      9.299356000     10.912619000
H        9.840890000      6.032538000     11.444284000
H       11.378471000      4.101689000     11.703082000
H       12.399493000      3.042625000      9.695095000
H       11.891640000      3.930461000      7.426573000
H       10.354602000      5.871869000      7.165667000
H        6.331091000      8.375326000      7.916790000
H        4.088727000      7.335405000      7.616079000
H        3.706768000      4.979215000      8.316802000
H        5.558176000      3.670897000      9.342713000
H        7.788378000      4.710652000      9.661291000
H        7.087573000      7.069472000     11.421618000
H        7.078966000      8.194456000     13.634380000
H        8.692776000     10.027528000     14.108452000
H       10.315854000     10.738092000     12.359513000
H       10.323476000      9.612472000     10.136889000
P       14.033620000     13.290226000      6.220681000
C       15.483105000     12.900997000      5.190669000
C       16.383858000     13.884710000      4.764228000
C       17.514577000     13.519620000      4.031800000
C       17.744989000     12.177965000      3.717986000
C       16.838800000     11.196802000      4.130043000
C       15.708436000     11.554363000      4.863019000
C       14.649185000     13.196193000      7.933416000
C       13.708814000     13.141848000      8.974259000
C       14.138881000     13.128631000     10.299827000
C       15.505813000     13.160362000     10.593741000
C       16.442343000     13.199230000      9.559382000
C       16.017777000     13.215720000      8.229162000
C       13.670059000     15.058401000      5.968658000
C       14.358242000     16.058095000      6.671043000
C       14.037891000     17.399301000      6.462044000
C       13.028911000     17.747260000      5.560281000
C       12.336332000     16.753160000      4.864114000
C       12.653482000     15.410864000      5.067495000
H       16.199192000     14.932761000      5.001313000
H       18.214607000     14.285890000      3.701702000
H       18.626409000     11.898579000      3.141976000
H       17.011301000     10.152121000      3.875178000
H       14.990575000     10.797007000      5.181983000
H       12.644143000     13.107077000      8.737967000
H       13.407719000     13.087379000     11.106010000
H       15.839914000     13.147088000     11.630668000
H       17.507799000     13.214015000      9.784713000
H       16.748401000     13.242833000      7.422137000
H       15.129468000     15.784988000      7.391247000
H       14.570320000     18.172873000      7.012728000
H       12.777154000     18.795744000      5.406073000
H       11.539913000     17.021176000      4.170964000
H       12.103552000     14.626803000      4.544392000
P        6.367377000     13.623289000      4.081218000
C        4.865093000     13.377096000      5.081667000
C        4.065351000     14.447079000      5.503754000
C        2.887689000     14.197960000      6.209126000
C        2.508098000     12.885784000      6.499611000
C        3.309508000     11.817093000      6.088615000
C        4.487313000     12.059526000      5.382700000
C        5.765365000     13.729627000      2.363658000
C        6.720473000     13.748512000      1.334420000
C        6.311023000     13.872493000      0.008683000
C        4.949805000     13.966991000     -0.298880000
C        3.999913000     13.935364000      0.722410000
C        4.403625000     13.815643000      2.053686000
C        6.965321000     15.308939000      4.436615000
C        6.394395000     16.431728000      3.819124000
C        6.876558000     17.707445000      4.113157000
C        7.935086000     17.866980000      5.012182000
C        8.512565000     16.750229000      5.621171000
C        8.030115000     15.472517000      5.336478000
H        4.364430000     15.471752000      5.284915000
H        2.267052000     15.031327000      6.533934000
H        1.590408000     12.697115000      7.054190000
H        3.018297000     10.794108000      6.322684000
H        5.124516000     11.232530000      5.064584000
H        7.780510000     13.668036000      1.579798000
H        7.052965000     13.892145000     -0.788376000
H        4.630963000     14.060372000     -1.336335000
H        2.939171000     14.002928000      0.486527000
H        3.660222000     13.790194000      2.848948000
H        5.587230000     16.304468000      3.097663000
H        6.431223000     18.577109000      3.632704000
H        8.314564000     18.864813000      5.232604000
H        9.345702000     16.871798000      6.311971000
H        8.484396000     14.592844000      5.796146000
Bi      10.060613000     10.388179000      5.166571000

141
[BiAu4(PPh3)4]+ Planar
Au       1.434914000     16.818171000      1.919030000
Au       2.278453000     14.767937000      0.050256000
Au       0.938627000     13.070181000      1.889100000
Au      -0.327125000     15.065538000      3.472107000
Bi      -0.498346000     15.195925000      0.663436000
P        3.016248000     18.261935000      2.782029000
C        2.606753000     19.016618000      4.384772000
C        1.744627000     18.312376000      5.236910000
C        1.485006000     18.793036000      6.518445000
C        2.072176000     19.985575000      6.946317000
C        2.909916000     20.705015000      6.088784000
C        3.177315000     20.225551000      4.806860000
C        3.348600000     19.674733000      1.675248000
C        2.247466000     20.265414000      1.034522000
C        2.426772000     21.389167000      0.231051000
C        3.705655000     21.924504000      0.052924000
C        4.805128000     21.326282000      0.670648000
C        4.630423000     20.201395000      1.479083000
C        4.630417000     17.456502000      3.049574000
C        4.945843000     16.329763000      2.276896000
C        6.160234000     15.674816000      2.462443000
C        7.065027000     16.134799000      3.421390000
C        6.749988000     17.248859000      4.201915000
C        5.534509000     17.907893000      4.020054000
P        4.102493000     14.666518000     -1.358603000
C        5.722139000     14.138829000     -0.711992000
C        5.779239000     12.938978000      0.013642000
C        6.985306000     12.511331000      0.562737000
C        8.143156000     13.277634000      0.393508000
C        8.088636000     14.471863000     -0.327350000
C        6.881156000     14.907396000     -0.877905000
C        4.403841000     16.293924000     -2.110807000
C        5.024034000     16.420091000     -3.361691000
C        5.274065000     17.687515000     -3.886595000
C        4.902262000     18.827995000     -3.168400000
C        4.274805000     18.704111000     -1.926874000
C        4.022848000     17.439770000     -1.397883000
C        3.755812000     13.528042000     -2.740817000
C        2.423086000     13.394260000     -3.160412000
C        2.103833000     12.536026000     -4.210322000
C        3.110589000     11.799567000     -4.842307000
C        4.437143000     11.929029000     -4.425128000
C        4.762570000     12.792480000     -3.377604000
P        2.218519000     11.286882000      2.586841000
C        3.158714000     10.638908000      1.158536000
C        2.652612000     10.872289000     -0.129821000
C        3.334433000     10.397527000     -1.249045000
C        4.528933000      9.693555000     -1.089770000
C        5.038528000      9.458598000      0.190446000
C        4.359001000      9.929135000      1.313035000
C        1.271068000      9.886903000      3.261642000
C        1.883891000      8.659472000      3.557896000
C        1.121143000      7.602849000      4.049843000
C       -0.257251000      7.760748000      4.233377000
C       -0.869148000      8.978641000      3.934171000
C       -0.107258000     10.045183000      3.454973000
C        3.522408000     11.645232000      3.804062000
C        3.473178000     11.154272000      5.114499000
C        4.502510000     11.453306000      6.009369000
C        5.588031000     12.227284000      5.597234000
C        5.630052000     12.729593000      4.293238000
C        4.593025000     12.461360000      3.406086000
P       -0.121466000     14.705251000      5.736055000
C       -0.516415000     12.996737000      6.220736000
C       -1.832357000     12.544186000      6.029428000
C       -2.180717000     11.247547000      6.395967000
C       -1.216638000     10.387323000      6.931672000
C        0.096959000     10.826214000      7.094127000
C        0.450855000     12.131003000      6.742623000
C       -1.161150000     15.742610000      6.809195000
C       -1.547535000     17.005771000      6.337353000
C       -2.312423000     17.848097000      7.142712000
C       -2.704391000     17.428718000      8.416680000
C       -2.332429000     16.165360000      8.884378000
C       -1.562071000     15.321672000      8.085188000
C        1.592943000     15.006309000      6.259201000
C        1.904272000     15.359138000      7.579171000
C        3.220274000     15.663698000      7.924010000
C        4.223422000     15.621888000      6.953372000
C        3.916376000     15.262009000      5.639986000
C        2.606035000     14.951734000      5.288852000
H        2.357805000     14.695110000      4.257240000
H        4.694865000     15.231629000      4.881993000
H        5.248075000     15.879664000      7.219674000
H        3.458156000     15.948797000      8.948678000
H        1.117059000     15.415499000      8.329723000
H        1.474010000     12.481411000      6.876101000
H        0.850021000     10.152521000      7.501105000
H       -1.490299000      9.371276000      7.212916000
H       -3.204935000     10.904356000      6.259999000
H       -2.579773000     13.215005000      5.605816000
H       -1.281126000     14.331034000      8.443419000
H       -2.646555000     15.833691000      9.872801000
H       -3.310426000     18.082519000      9.042097000
H       -2.609960000     18.827842000      6.771796000
H       -1.250140000     17.318479000      5.336012000
H        8.013927000     15.618751000      3.564539000
H        6.396656000     14.797235000      1.864848000
H        4.222712000     15.952099000      1.549607000
H        7.447174000     17.602616000      4.959843000
H        5.276824000     18.758308000      4.648576000
H        1.283715000     17.389136000      4.884805000
H        0.818641000     18.238527000      7.177612000
H        1.866645000     20.363040000      7.947232000
H        3.352019000     21.644628000      6.416857000
H        3.821140000     20.790739000      4.133111000
H        5.490709000     19.729815000      1.952545000
H        5.803953000     21.732199000      0.520066000
H        3.844685000     22.802504000     -0.577210000
H        1.569124000     21.845179000     -0.260988000
H        1.253388000     19.837033000      1.168352000
H        3.509385000     17.336325000     -0.441147000
H        3.969144000     19.590161000     -1.374070000
H        5.090284000     19.817229000     -3.585292000
H        5.749776000     17.785013000     -4.861436000
H        5.300479000     15.530033000     -3.925831000
H        5.795515000     12.882278000     -3.043885000
H        5.221723000     11.354337000     -4.915073000
H        2.858395000     11.121862000     -5.657241000
H        1.068382000     12.434853000     -4.531425000
H        1.640132000     13.955603000     -2.647966000
H        1.732033000     11.445427000     -0.246611000
H        2.938310000     10.590008000     -2.244823000
H        5.068298000      9.334183000     -1.964913000
H        5.971765000      8.910834000      0.313237000
H        4.770890000      9.766992000      2.308637000
H        2.636052000     10.531338000      5.425420000
H        6.396344000     12.447575000      6.292859000
H        6.465063000     13.347418000      3.969739000
H        4.617509000     12.873818000      2.398541000
H        4.460255000     11.069354000      7.027671000
H        2.952472000      8.528450000      3.396331000
H        1.598600000      6.649721000      4.277294000
H       -0.853849000      6.926867000      4.603218000
H       -1.942165000      9.102321000      4.070743000
H       -0.574916000     11.004694000      3.225447000
H        6.837524000     15.847370000     -1.425650000
H        8.986063000     15.074355000     -0.457775000
H        9.086085000     12.946042000      0.827503000
H        7.014565000     11.582703000      1.129595000
H        4.874702000     12.346190000      0.146621000