90
5'; E = -4184.00258689 u.a.
Ir       0.797168000      0.207893000     -0.797830000
Ge      -1.443692000     -0.521620000     -0.337554000
P        0.054935000      2.321088000      0.330249000
P        1.790804000     -1.805312000      0.207952000
N       -3.032187000      0.126864000     -0.965657000
N       -2.374084000     -1.798706000      0.583789000
C       -4.104130000     -0.648696000     -0.536742000
C        3.018252000     -1.607624000      1.635908000
C       -3.738418000     -1.716513000      0.323178000
C        1.088204000      3.799586000     -0.264309000
C        0.483667000     -2.968658000      0.792491000
H       -0.115323000     -3.155888000     -0.103583000
H        0.948316000     -3.924915000      1.049686000
C       -3.286924000      1.356574000     -1.710241000
H       -4.158387000      1.840421000     -1.251763000
H       -3.555780000      1.116230000     -2.746059000
C       -0.425438000     -2.492106000      1.926337000
H       -0.178712000     -3.019915000      2.851448000
H       -0.283827000     -1.430473000      2.137290000
C       -5.446412000     -0.458719000     -0.875766000
H       -5.735477000      0.340315000     -1.549431000
C       -2.125359000      2.345829000     -1.697130000
H       -2.479847000      3.247634000     -2.205422000
H       -1.307093000      1.964104000     -2.310445000
C        1.003191000      3.838973000     -1.797396000
H        1.614321000      4.674975000     -2.155172000
H       -0.020971000      4.011429000     -2.139592000
H        1.370735000      2.932336000     -2.276889000
C        2.548183000      3.644875000      0.186634000
H        3.190275000      4.260721000     -0.452467000
H        2.911869000      2.618683000      0.128248000
H        2.686920000      3.980848000      1.215135000
C       -1.298988000      3.578899000      2.560658000
H       -1.334949000      3.655645000      3.653804000
H       -2.306259000      3.322757000      2.225750000
H       -1.048267000      4.565975000      2.173026000
C       -0.819902000      1.153490000      2.678901000
H       -0.072465000      0.370576000      2.568008000
H       -1.727983000      0.854015000      2.140636000
H       -1.084706000      1.224248000      3.740223000
C        2.564530000     -2.889244000     -1.167541000
C       -1.897252000     -2.707527000      1.619708000
H       -2.074473000     -3.746008000      1.310215000
H       -2.488460000     -2.529456000      2.526262000
C        3.467657000     -2.067261000     -2.092930000
H        4.233788000     -1.502278000     -1.559989000
H        2.886730000     -1.379217000     -2.709754000
H        3.982011000     -2.755199000     -2.773500000
C       -0.266365000      2.497547000      2.203776000
C       -1.667634000      2.713648000     -0.277179000
H       -2.328303000      2.223820000      0.445570000
H       -1.801189000      3.784086000     -0.107228000
C        1.032623000      2.799312000      2.957718000
H        0.872580000      2.611764000      4.025754000
H        1.324909000      3.846038000      2.851796000
H        1.869339000      2.178333000      2.635401000
C        3.377152000     -4.060524000     -0.599564000
H        2.807450000     -4.668777000      0.107496000
H        4.301716000     -3.737585000     -0.118444000
H        3.658401000     -4.713980000     -1.433498000
C        4.356894000     -1.095146000      1.096280000
H        5.009545000     -0.857292000      1.944027000
H        4.229292000     -0.174949000      0.517817000
H        4.878407000     -1.826084000      0.476882000
C       -6.413762000     -1.315521000     -0.353959000
H       -7.455390000     -1.168250000     -0.623037000
C        1.441955000     -3.492377000     -2.029141000
H        1.899526000     -3.924698000     -2.925981000
H        0.714439000     -2.746462000     -2.362295000
H        0.909552000     -4.298825000     -1.518685000
C       -4.718631000     -2.565305000      0.842143000
H       -4.441961000     -3.382854000      1.498809000
C        3.210198000     -2.885498000      2.458466000
H        3.699871000     -3.685658000      1.904904000
H        2.260457000     -3.263738000      2.847500000
H        3.843233000     -2.649059000      3.322096000
C        0.570739000      5.149657000      0.247829000
H        0.669020000      5.253477000      1.328816000
H       -0.467767000      5.343825000     -0.034250000
H        1.179131000      5.939333000     -0.208466000
C        2.455927000     -0.525550000      2.557996000
H        3.207837000     -0.270376000      3.313530000
H        1.560169000     -0.855721000      3.088121000
H        2.216186000      0.373279000      1.988046000
C       -6.053606000     -2.359518000      0.499973000
H       -6.814350000     -3.023967000      0.898487000
H        0.752322000     -0.831934000     -2.009927000
C        2.460985000      0.817796000     -1.418639000
O        3.444132000      1.191476000     -1.893849000
H        0.110510000      1.064826000     -1.958198000
90
TS 4-5'; E = -4183.98662480 u.a.
Ir       0.855521000      0.264202000     -0.585319000
Ge      -1.449293000     -0.388689000     -0.175069000
P        0.155302000      2.433427000      0.245980000
P        1.619475000     -1.964785000      0.008671000
N       -3.037088000      0.239943000     -0.859500000
N       -2.433879000     -1.678670000      0.694976000
C       -4.124839000     -0.525121000     -0.463502000
C        2.940415000     -2.146768000      1.377241000
C       -3.788318000     -1.593666000      0.402928000
C        1.058120000      3.913499000     -0.540353000
C        0.237350000     -3.027839000      0.594279000
H       -0.468557000     -3.046015000     -0.241401000
H        0.604272000     -4.051165000      0.705027000
C       -3.270965000      1.462644000     -1.612280000
H       -4.114855000      1.991047000     -1.149738000
H       -3.563126000      1.219366000     -2.641578000
C       -0.483278000     -2.563881000      1.863287000
H       -0.188641000     -3.175120000      2.719666000
H       -0.229277000     -1.529839000      2.118190000
C       -5.456368000     -0.324024000     -0.837518000
H       -5.722670000      0.481608000     -1.512846000
C       -2.058725000      2.376597000     -1.624844000
H       -2.326920000      3.266199000     -2.200382000
H       -1.249998000      1.890223000     -2.176281000
C        0.666251000      3.977061000     -2.022316000
H        1.305332000      4.720854000     -2.511818000
H       -0.368617000      4.292560000     -2.167878000
H        0.822785000      3.020531000     -2.529829000
C        2.581542000      3.772660000     -0.476500000
H        3.027311000      4.745475000     -0.712622000
H        2.942531000      3.071581000     -1.227458000
H        2.955322000      3.467870000      0.501103000
C       -0.789226000      3.725776000      2.646539000
H       -0.734060000      3.738085000      3.741286000
H       -1.834804000      3.550933000      2.380673000
H       -0.505002000      4.716344000      2.296190000
C       -0.392795000      1.287212000      2.714978000
H        0.268643000      0.458967000      2.459775000
H       -1.404321000      1.047909000      2.365382000
H       -0.439336000      1.376098000      3.806575000
C        2.154607000     -2.903997000     -1.554740000
C       -1.986028000     -2.638150000      1.691153000
H       -2.282061000     -3.649906000      1.382671000
H       -2.487932000     -2.424082000      2.643050000
C        3.178453000     -2.084071000     -2.348138000
H        4.082639000     -1.864847000     -1.777703000
H        2.752303000     -1.140374000     -2.698878000
H        3.478145000     -2.660493000     -3.230568000
C        0.128618000      2.606272000      2.138176000
C       -1.607845000      2.785681000     -0.212572000
H       -2.216567000      2.269677000      0.538585000
H       -1.777746000      3.852280000     -0.046987000
C        1.558100000      2.821873000      2.641082000
H        1.570596000      2.733451000      3.733595000
H        1.940937000      3.812616000      2.386011000
H        2.244045000      2.069077000      2.240666000
C        2.737476000     -4.286961000     -1.238354000
H        2.055678000     -4.903766000     -0.646411000
H        3.695675000     -4.233568000     -0.719888000
H        2.909354000     -4.812308000     -2.184737000
C        4.369099000     -1.954294000      0.854540000
H        5.048233000     -1.993593000      1.714224000
H        4.518846000     -0.989932000      0.371809000
H        4.679729000     -2.740132000      0.164498000
C       -6.442293000     -1.177202000     -0.344742000
H       -7.475786000     -1.022771000     -0.640096000
C        0.916403000     -3.115853000     -2.440274000
H        1.253699000     -3.469728000     -3.420721000
H        0.350482000     -2.193491000     -2.601053000
H        0.239680000     -3.874454000     -2.037675000
C       -4.786474000     -2.437341000      0.896015000
H       -4.533404000     -3.253029000      1.564203000
C        2.849121000     -3.521982000      2.053824000
H        2.989351000     -4.350780000      1.359075000
H        1.902850000     -3.664578000      2.579572000
H        3.645926000     -3.584184000      2.803825000
C        0.660678000      5.240206000      0.118165000
H        1.073595000      5.343003000      1.123755000
H       -0.420499000      5.393406000      0.164175000
H        1.074374000      6.053935000     -0.488136000
C        2.671492000     -1.073097000      2.436865000
H        3.424036000     -1.165472000      3.228453000
H        1.689173000     -1.187022000      2.900239000
H        2.734007000     -0.067119000      2.018591000
C       -6.110633000     -2.224723000      0.516508000
H       -6.885897000     -2.884310000      0.894734000
H        0.712595000     -0.262676000     -2.151365000
C        2.670972000      0.715213000     -0.577463000
O        3.810441000      0.923926000     -0.625926000
H        0.446288000      0.841845000     -2.090390000
88
4; E = -4182.82503312 u.a.
C        2.785098000     -0.064155000     -0.193999000
Ir       0.946119000     -0.021419000     -0.000978000
Ge      -1.495898000      0.037132000      0.001033000
P        0.846094000     -2.386567000     -0.114412000
P        0.949716000      2.349227000      0.145216000
N       -2.842006000     -0.909300000      0.817783000
N       -2.804580000      1.034063000     -0.815442000
O        3.936684000     -0.089618000     -0.343948000
C       -4.101208000     -0.462608000      0.451483000
C        2.197380000      3.262938000     -0.953128000
C       -4.080166000      0.615976000     -0.470574000
C        2.094544000     -3.301701000      0.983314000
C       -0.666716000      3.076076000     -0.364884000
H       -1.381532000      2.772277000      0.405897000
H       -0.620167000      4.166721000     -0.322217000
C       -2.692390000     -2.016055000      1.750463000
H       -3.331494000     -2.845963000      1.422261000
H       -3.036983000     -1.707751000      2.745045000
C       -1.155225000      2.589188000     -1.738003000
H       -1.025974000      3.373043000     -2.488488000
H       -0.567588000      1.729208000     -2.085059000
C       -5.321868000     -0.971534000      0.904936000
H       -5.344120000     -1.787080000      1.619655000
C       -1.245816000     -2.477073000      1.810574000
H       -1.143440000     -3.230847000      2.595450000
H       -0.628515000     -1.623442000      2.122227000
C        2.256379000     -2.482852000      2.272201000
H        2.953878000     -3.007473000      2.936005000
H        1.312854000     -2.365998000      2.811149000
H        2.659204000     -1.485872000      2.076719000
C        3.464385000     -3.436183000      0.312188000
H        4.162398000     -3.862396000      1.042085000
H        3.877577000     -2.479685000     -0.009089000
H        3.438045000     -4.111541000     -0.545544000
C        0.903290000     -4.454845000     -2.078498000
H        0.865182000     -4.700818000     -3.146265000
H        0.020706000     -4.899699000     -1.609560000
H        1.794652000     -4.933758000     -1.666250000
C       -0.277840000     -2.322669000     -2.641140000
H       -0.298958000     -1.233464000     -2.525847000
H       -1.232966000     -2.734098000     -2.304240000
H       -0.191614000     -2.542454000     -3.711495000
C        1.122077000      2.833570000      1.963514000
C       -2.615397000      2.171273000     -1.703634000
H       -3.233624000      3.004724000     -1.345589000
H       -2.959785000      1.914108000     -2.712628000
C        2.345436000      2.130056000      2.564500000
H        3.286428000      2.442386000      2.110915000
H        2.258147000      1.043678000      2.458503000
H        2.397002000      2.364898000      3.634061000
C        0.935153000     -2.932904000     -1.920681000
C       -0.778910000     -3.040971000      0.460043000
H       -1.494072000     -2.758420000     -0.317626000
H       -0.758639000     -4.132678000      0.471952000
C        2.187056000     -2.349000000     -2.585984000
H        2.193877000     -2.648622000     -3.640338000
H        3.117694000     -2.697382000     -2.138365000
H        2.171530000     -1.255763000     -2.548488000
C        1.206855000      4.346023000      2.176889000
H        0.356198000      4.871086000      1.731957000
H        2.127543000      4.772157000      1.773301000
H        1.194563000      4.554425000      3.253270000
C        3.591944000      3.292157000     -0.319079000
H        4.295640000      3.697097000     -1.055323000
H        3.954611000      2.304493000     -0.034017000
H        3.628091000      3.942233000      0.557758000
C       -6.509044000     -0.420707000      0.429957000
H       -7.457684000     -0.816903000      0.779355000
C       -0.116826000      2.295672000      2.696706000
H        0.024213000      2.445160000      3.773199000
H       -0.248639000      1.221564000      2.526053000
H       -1.037746000      2.813721000      2.416516000
C       -5.280438000      1.154105000     -0.944221000
H       -5.271347000      1.968706000     -1.660119000
C        1.756334000      4.707192000     -1.227362000
H        1.586399000      5.282124000     -0.315092000
H        0.854562000      4.755209000     -1.843446000
H        2.554586000      5.208014000     -1.786998000
C        1.595741000     -4.702784000      1.358981000
H        1.371628000     -5.322030000      0.487787000
H        0.711598000     -4.669350000      2.000812000
H        2.385972000     -5.207976000      1.926053000
C        2.275578000      2.524779000     -2.297433000
H        2.989542000      3.050891000     -2.942088000
H        1.314882000      2.507534000     -2.816688000
H        2.617867000      1.494132000     -2.188186000
C       -6.488425000      0.632803000     -0.488700000
H       -7.421010000      1.051962000     -0.854154000
90
TS 4-5; E = -4183.99960192 u.a.
Ir      -1.004169000      0.345073000      0.001744000
Ge       1.224133000     -0.405631000     -0.085935000
P       -1.665784000     -1.967076000     -0.129388000
P       -0.080250000      2.556872000     -0.007379000
N        2.240199000     -1.683215000     -0.916218000
N        2.669298000     -0.024143000      0.967569000
C        3.538569000     -1.714941000     -0.426101000
C       -1.424210000      3.909905000      0.099313000
C        3.779187000     -0.781885000      0.620309000
C       -3.269286000     -2.185711000     -1.107175000
C        0.947180000      2.861598000      1.510801000
H        1.764057000      3.537203000      1.236741000
H        0.288993000      3.443157000      2.162084000
C        1.822190000     -2.529072000     -2.021802000
H        2.119877000     -3.565333000     -1.812118000
H        2.337897000     -2.221131000     -2.940696000
C        1.469149000      1.693253000      2.363239000
H        1.638515000      2.116577000      3.359107000
H        0.687849000      0.938623000      2.488783000
C        4.569994000     -2.537617000     -0.880969000
H        4.391180000     -3.240049000     -1.688512000
C        0.312718000     -2.461516000     -2.221293000
H        0.059645000     -3.014923000     -3.129220000
H        0.030020000     -1.419166000     -2.408586000
C       -2.943117000     -1.930858000     -2.586124000
H       -3.882955000     -1.902497000     -3.148897000
H       -2.332434000     -2.732099000     -3.010907000
H       -2.429135000     -0.982101000     -2.754434000
C       -4.322745000     -1.177329000     -0.634004000
H       -5.252431000     -1.356720000     -1.186377000
H       -4.016191000     -0.145037000     -0.819179000
H       -4.544490000     -1.274946000      0.430770000
C       -1.690058000     -4.378237000      1.415097000
H       -1.776494000     -4.800878000      2.422478000
H       -0.742130000     -4.729007000      1.001743000
H       -2.503680000     -4.790504000      0.819716000
C       -0.508711000     -2.419790000      2.355246000
H       -0.537862000     -1.368738000      2.639127000
H        0.428239000     -2.597607000      1.815186000
H       -0.473356000     -3.019208000      3.271874000
C        1.065650000      2.936286000     -1.495575000
C        2.778654000      1.002394000      1.990674000
H        3.524561000      1.750397000      1.684688000
H        3.168040000      0.527778000      2.900246000
C        0.457961000      2.384556000     -2.789043000
H       -0.523686000      2.808802000     -3.011036000
H        0.365506000      1.296018000     -2.745350000
H        1.124634000      2.631858000     -3.622977000
C       -1.743413000     -2.847385000      1.545599000
C       -0.447523000     -3.042600000     -1.019527000
H        0.273127000     -3.330306000     -0.247824000
H       -0.971686000     -3.961553000     -1.297408000
C       -3.019254000     -2.463363000      2.301615000
H       -2.942642000     -2.830829000      3.331160000
H       -3.905137000     -2.919540000      1.854359000
H       -3.179108000     -1.386407000      2.349778000
C        1.307643000      4.442381000     -1.649065000
H        1.727753000      4.889038000     -0.742995000
H        0.409311000      4.989255000     -1.932923000
H        2.037220000      4.587801000     -2.453052000
C       -2.182506000      3.996385000     -1.229206000
H       -3.044403000      4.660048000     -1.096435000
H       -2.566519000      3.018406000     -1.537435000
H       -1.576814000      4.405842000     -2.040001000
C        5.833220000     -2.441370000     -0.296263000
H        6.635376000     -3.081591000     -0.651229000
C        2.445328000      2.290883000     -1.320102000
H        3.088929000      2.652679000     -2.129615000
H        2.423641000      1.202782000     -1.422566000
H        2.931823000      2.546141000     -0.376673000
C        5.051292000     -0.692629000      1.189889000
H        5.245950000      0.021278000      1.982993000
C       -0.884109000      5.292970000      0.498011000
H       -0.290741000      5.769814000     -0.278249000
H       -0.290481000      5.265361000      1.415305000
H       -1.743077000      5.944112000      0.693668000
C       -3.845590000     -3.602341000     -1.001649000
H       -4.238543000     -3.824122000     -0.007416000
H       -3.114929000     -4.370348000     -1.271892000
H       -4.679898000     -3.686311000     -1.707655000
C       -2.431926000      3.490173000      1.176697000
H       -3.157606000      4.301640000      1.298950000
H       -1.969765000      3.318162000      2.152201000
H       -2.980143000      2.592273000      0.888094000
C        6.071253000     -1.526306000      0.729837000
H        7.059223000     -1.453798000      1.174878000
H       -1.362357000      0.758338000     -1.720744000
C       -1.738768000      0.598372000      1.707785000
O       -2.077899000      0.740781000      2.812440000
H       -2.129318000      0.622046000     -1.330675000
90
5; E = -4184.04070174 u.a.
Ir       0.916350000      0.390786000     -0.154467000
Ge      -1.251919000     -0.648786000     -0.257415000
P        1.950434000     -1.730495000      0.124506000
P       -0.188298000      2.471187000      0.213309000
N       -2.117159000     -1.917082000      0.735827000
N       -2.863640000     -0.224924000     -1.016078000
C       -3.467193000     -1.992145000      0.416859000
C        0.770813000      3.959408000     -0.461119000
C       -3.883481000     -1.052156000     -0.564075000
C        3.471670000     -1.639622000      1.245915000
C       -1.840235000      2.595313000     -0.618691000
H       -2.553208000      2.177033000      0.099336000
H       -2.081224000      3.659587000     -0.695891000
C       -1.577124000     -2.740354000      1.808953000
H       -1.721975000     -3.801147000      1.562176000
H       -2.154453000     -2.538940000      2.720225000
C       -2.016895000      1.893699000     -1.977885000
H       -2.268538000      2.631518000     -2.744327000
H       -1.090297000      1.420297000     -2.316025000
C       -4.393663000     -2.876726000      0.974140000
H       -4.082261000     -3.593540000      1.726363000
C       -0.104200000     -2.471125000      2.083962000
H        0.153510000     -2.996467000      3.007578000
H        0.028497000     -1.406942000      2.295394000
C        2.971081000     -1.301378000      2.657587000
H        3.842423000     -1.150470000      3.304701000
H        2.378726000     -2.111513000      3.091110000
H        2.379439000     -0.382522000      2.675868000
C        4.427647000     -0.532156000      0.792116000
H        5.294561000     -0.526499000      1.462776000
H        3.956992000      0.451587000      0.845139000
H        4.795155000     -0.679941000     -0.224767000
C        2.568502000     -4.160074000     -1.267668000
H        2.830929000     -4.601930000     -2.235606000
H        1.676066000     -4.679594000     -0.909726000
H        3.387279000     -4.367417000     -0.581444000
C        1.089232000     -2.548041000     -2.400618000
H        0.897493000     -1.531557000     -2.739472000
H        0.178032000     -2.922648000     -1.921960000
H        1.266455000     -3.164970000     -3.288512000
C       -0.653883000      2.698438000      2.038957000
C       -3.132021000      0.853403000     -1.957627000
H       -4.068687000      1.342807000     -1.662097000
H       -3.281039000      0.445414000     -2.965077000
C        0.619800000      2.906182000      2.861866000
H        1.103443000      3.859896000      2.637669000
H        1.341414000      2.102054000      2.691249000
H        0.362157000      2.908198000      3.927130000
C        2.318888000     -2.659810000     -1.485728000
C        0.823487000     -2.946560000      0.955093000
H        0.220816000     -3.360391000      0.139955000
H        1.453592000     -3.770032000      1.302300000
C        3.535696000     -2.039027000     -2.176892000
H        3.604729000     -2.427603000     -3.199137000
H        4.464853000     -2.297710000     -1.663724000
H        3.474227000     -0.950378000     -2.241245000
C       -1.627778000      3.864119000      2.271706000
H       -2.568202000      3.734961000      1.729389000
H       -1.210957000      4.836000000      2.018398000
H       -1.874752000      3.885507000      3.338981000
C        2.270369000      3.805263000     -0.187134000
H        2.779001000      4.719539000     -0.513649000
H        2.699924000      2.966894000     -0.738843000
H        2.490848000      3.660854000      0.873566000
C       -5.721638000     -2.832410000      0.553116000
H       -6.441073000     -3.521281000      0.985610000
C       -1.359369000      1.426107000      2.536276000
H       -1.738953000      1.617849000      3.546038000
H       -0.677363000      0.578183000      2.590807000
H       -2.218048000      1.136611000      1.919894000
C       -5.215424000     -1.028164000     -0.984548000
H       -5.536272000     -0.328235000     -1.748604000
C        0.292835000      5.297743000      0.109101000
H        0.545844000      5.416491000      1.164287000
H       -0.783257000      5.445069000     -0.019144000
H        0.797340000      6.100625000     -0.440674000
C        4.245908000     -2.961143000      1.317059000
H        4.770425000     -3.184209000      0.385525000
H        3.612637000     -3.813549000      1.578691000
H        5.005039000     -2.870196000      2.102293000
C        0.537971000      4.001644000     -1.978121000
H        1.210303000      4.751838000     -2.409263000
H       -0.484838000      4.297648000     -2.224917000
H        0.750735000      3.054836000     -2.473453000
C       -6.128426000     -1.917327000     -0.420110000
H       -7.163639000     -1.896370000     -0.747207000
H        0.803734000      0.243580000      1.445274000
C        1.375449000      0.685740000     -1.997741000
O        1.740533000      0.892602000     -3.074203000
H        2.266032000      1.111611000      0.287927000
90
TS 5-A; E = -4183.96092346 u.a. 
C        2.754665000      0.285514000     -0.096728000
Ir       0.920810000      0.098663000     -0.147092000
Ge      -1.578936000     -0.131388000     -0.018753000
P        1.176697000     -2.313037000     -0.137547000
P        0.664617000      2.463110000      0.158252000
N       -2.818355000     -1.400817000      0.538827000
N       -3.031266000      0.915617000     -0.553956000
O        3.903347000      0.415096000      0.005067000
C       -4.123561000     -0.996522000      0.294410000
C        1.753978000      3.535724000     -0.975111000
C       -4.239356000      0.283727000     -0.309583000
C        2.316066000     -2.932115000      1.252941000
C       -1.034646000      3.058649000     -0.180359000
H       -1.649923000      2.638374000      0.619254000
H       -1.064199000      4.142888000     -0.055355000
C       -2.595456000     -2.619780000      1.287989000
H       -3.061600000     -3.466746000      0.763074000
H       -3.081016000     -2.544045000      2.270955000
C       -1.612101000      2.640367000     -1.537604000
H       -1.617449000      3.485726000     -2.230711000
H       -1.011188000      1.857297000     -2.011464000
C       -5.271819000     -1.723945000      0.607821000
H       -5.190033000     -2.697607000      1.078769000
C       -1.115004000     -2.882526000      1.472715000
H       -0.987966000     -3.719140000      2.163810000
H       -0.683251000     -2.004009000      1.963934000
C        2.119986000     -2.018628000      2.471637000
H        2.736535000     -2.396617000      3.295399000
H        1.086233000     -1.988446000      2.821371000
H        2.438340000     -0.993725000      2.263354000
C        3.798449000     -2.882265000      0.864047000
H        4.384629000     -3.170463000      1.744100000
H        4.129337000     -1.885916000      0.571878000
H        4.049559000     -3.581213000      0.064899000
C        2.076169000     -4.451494000     -1.790188000
H        2.283810000     -4.780367000     -2.814835000
H        1.246108000     -5.058859000     -1.419082000
H        2.962622000     -4.670502000     -1.193034000
C        0.581294000     -2.749650000     -2.816183000
H        0.227033000     -1.715082000     -2.829939000
H       -0.269399000     -3.404106000     -2.610054000
H        0.945179000     -2.993428000     -3.820562000
C        0.914332000      2.878363000      1.984838000
C       -3.023160000      2.111061000     -1.374223000
H       -3.656066000      2.883186000     -0.912833000
H       -3.453827000      1.886024000     -2.360456000
C        2.241623000      2.299836000      2.486192000
H        3.111749000      2.686037000      1.955151000
H        2.245419000      1.209023000      2.412479000
H        2.357841000      2.558650000      3.544415000
C        1.736247000     -2.956928000     -1.826217000
C       -0.422810000     -3.178211000      0.136175000
H       -1.061491000     -2.853130000     -0.691620000
H       -0.274542000     -4.253793000      0.005476000
C        2.941959000     -2.157629000     -2.330066000
H        3.260773000     -2.578546000     -3.290171000
H        3.796755000     -2.198319000     -1.653883000
H        2.682807000     -1.109700000     -2.499237000
C        0.864073000      4.388187000      2.237007000
H       -0.065075000      4.837977000      1.875736000
H        1.705937000      4.916453000      1.784796000
H        0.910984000      4.562799000      3.317973000
C        3.173356000      3.719610000     -0.428514000
H        3.759427000      4.257943000     -1.182060000
H        3.683081000      2.774535000     -0.242127000
H        3.196681000      4.313639000      0.487080000
C       -6.532428000     -1.197093000      0.305663000
H       -7.421841000     -1.770288000      0.550879000
C       -0.215126000      2.203532000      2.778473000
H        0.012117000      2.299491000      3.845873000
H       -0.299880000      1.137738000      2.543618000
H       -1.188180000      2.671984000      2.610983000
C       -5.502983000      0.791303000     -0.616835000
H       -5.602356000      1.760307000     -1.093923000
C        1.122658000      4.921278000     -1.176054000
H        0.949913000      5.452387000     -0.237934000
H        0.181503000      4.870438000     -1.728350000
H        1.815223000      5.525678000     -1.772216000
C        1.962986000     -4.371972000      1.647986000
H        2.030301000     -5.068818000      0.810822000
H        0.966238000     -4.450212000      2.085190000
H        2.677711000     -4.702944000      2.409851000
C        1.850770000      2.852989000     -2.346698000
H        2.368218000      3.532369000     -3.033586000
H        0.871937000      2.631094000     -2.779230000
H        2.426561000      1.925698000     -2.304629000
C       -6.646025000      0.046919000     -0.306602000
H       -7.625062000      0.450285000     -0.548726000
H       -0.852492000     -0.452764000     -1.492621000
H        1.095911000      0.282835000     -1.673099000
90
A; E = -4183.99572371 u.a.
C        2.343661000      1.525425000      0.214655000
Ir       0.784283000      0.436564000     -0.027125000
Ge      -1.127633000     -1.050664000     -0.754009000
P        2.154015000     -1.536199000     -0.098726000
P       -0.650015000      2.362219000      0.144184000
N       -1.862006000     -2.252658000      0.500270000
N       -2.900895000     -0.520367000     -1.092368000
O        3.302245000      2.165405000      0.218666000
C       -3.246771000     -2.317563000      0.397613000
C        0.033959000      3.935737000     -0.665323000
C       -3.822374000     -1.360485000     -0.488869000
C        3.408505000     -1.589582000      1.337849000
C       -2.305368000      2.173137000     -0.601884000
H       -2.812229000      1.447805000      0.038570000
H       -2.846681000      3.117161000     -0.518601000
C       -1.176433000     -3.237501000      1.301865000
H       -1.273716000     -4.244105000      0.861234000
H       -1.636819000     -3.282551000      2.298343000
C       -2.322601000      1.625139000     -2.032817000
H       -2.614221000      2.394457000     -2.752940000
H       -1.327743000      1.277334000     -2.340915000
C       -4.072908000     -3.210243000      1.079555000
H       -3.642526000     -3.953412000      1.742478000
C        0.289660000     -2.890994000      1.474518000
H        0.718372000     -3.517062000      2.261084000
H        0.320398000     -1.859912000      1.848658000
C        2.799156000     -0.884916000      2.559048000
H        3.558214000     -0.828478000      3.347252000
H        1.942709000     -1.419407000      2.972704000
H        2.491576000      0.141860000      2.334008000
C        4.717965000     -0.871827000      0.989148000
H        5.349707000     -0.874189000      1.884456000
H        4.573284000      0.169526000      0.702275000
H        5.275683000     -1.376390000      0.199018000
C        3.951079000     -2.992170000     -1.732661000
H        4.335511000     -3.154422000     -2.745946000
H        3.437493000     -3.908651000     -1.427612000
H        4.811295000     -2.841703000     -1.078212000
C        1.918343000     -2.044907000     -2.811692000
H        1.197119000     -1.225765000     -2.860438000
H        1.374739000     -2.976922000     -2.641229000
H        2.405326000     -2.123011000     -3.790063000
C       -1.003352000      2.574730000      1.982902000
C       -3.286227000      0.446075000     -2.091946000
H       -4.296865000      0.813175000     -1.877009000
H       -3.305287000      0.011592000     -3.102803000
C        0.311149000      2.601985000      2.772805000
H        0.964305000      3.430494000      2.497188000
H        0.875322000      1.670195000      2.650097000
H        0.079540000      2.701506000      3.839162000
C        3.004252000     -1.787498000     -1.760045000
C        1.116305000     -3.024098000      0.183824000
H        0.458658000     -3.121918000     -0.686073000
H        1.737429000     -3.922816000      0.193015000
C        3.750338000     -0.514381000     -2.174900000
H        4.198298000     -0.680567000     -3.160858000
H        4.552927000     -0.238749000     -1.491582000
H        3.063993000      0.332826000     -2.263210000
C       -1.827704000      3.831708000      2.272012000
H       -2.764737000      3.845106000      1.707968000
H       -1.276164000      4.748899000      2.053869000
H       -2.085835000      3.847077000      3.337407000
C        1.041903000      4.665295000      0.226137000
H        1.493007000      5.475474000     -0.357726000
H        1.854190000      4.028567000      0.572696000
H        0.562429000      5.116933000      1.096905000
C       -5.462708000     -3.166835000      0.896146000
H       -6.092909000     -3.875200000      1.426469000
C       -1.798697000      1.338809000      2.436541000
H       -1.860329000      1.345940000      3.530258000
H       -1.323813000      0.397462000      2.136514000
H       -2.820955000      1.326959000      2.052505000
C       -5.205187000     -1.337840000     -0.668031000
H       -5.653881000     -0.634579000     -1.361680000
C       -1.101699000      4.912061000     -1.001018000
H       -1.702526000      5.177553000     -0.128264000
H       -1.764945000      4.525752000     -1.778766000
H       -0.653797000      5.835257000     -1.384829000
C        3.739078000     -3.037115000      1.725225000
H        4.163836000     -3.608070000      0.897464000
H        2.871228000     -3.577382000      2.109119000
H        4.486441000     -3.013763000      2.526402000
C        0.717297000      3.527941000     -1.978995000
H        1.017337000      4.436971000     -2.512649000
H        0.052516000      2.962356000     -2.637261000
H        1.616918000      2.932917000     -1.812634000
C       -6.022808000     -2.238016000      0.029816000
H       -7.097525000     -2.210927000     -0.127494000
H       -0.764500000     -1.868798000     -2.032799000
H        0.908159000      0.618640000     -1.544030000
