8
Coordinates from ORCA-job H3PO4
  P   -0.08144727329851     -0.03187500025477     -0.05807276366837
  O   -0.52214048533364     -0.95434448376224     -1.26125732672372
  O   -1.00074642835650     -0.58464877866826      1.11033159532469
  O   -0.74148248628767      1.39394627072278     -0.34355890266920
  O   1.35550580736298      0.00063471615817      0.16373145607098
  H   -1.46309843997495     -0.92854799651409     -1.45295505964861
  H   -0.73898266473113     -0.25708318101187      1.97427489221510
  H   -0.08800802938058      2.01021845333029     -0.68479389090086

64
Coordinates from ORCA-job E-8*
  P   17.15015155831536      8.32209101921885      4.03057811697386
  P   18.50023646994966      9.67439480098363      3.38658247232468
  Cl  18.32558843199708      9.50237554556758      1.32436294278061
  C   17.51080789081165      8.68224448244425      5.80351281563644
  C   16.78585304378601      9.63886409840522      6.51873601029378
  C   13.10792585740233      8.45243066889794      4.15924939216780
  C   15.71917700270432     10.58041995224955      5.98879551648108
  C   14.73689324300955     10.66206062397799      3.80212237755664
  C   14.74322842699869      9.96364104643853      5.01587641954595
  C   13.92770449080752      8.86281705078346      5.20220458086146
  H   13.94383106791111      8.31550403927469      6.13799592521972
  C   13.10811525879838      9.13867136880535      2.94890941959691
  C   13.92006053716605     10.24777142533405      2.76011795848951
  H   13.92056603134333     10.77115387630689      1.81160918532350
  C   17.01331469964679      9.86736860443339      7.87409504875486
  C   15.04934029729747     11.07481310400734      7.29733932020603
  C   16.11697786550755     10.95647484168060      8.38845775235243
  C   17.97264943915279      9.14444571970454      8.56574187872261
  H   18.14492350899259      9.31684375537209      9.62284762989951
  C   18.46770862885504      7.95786919223666      6.51882162244833
  C   22.35135864022043      8.90014853976050      4.53680439499526
  C   19.40977622366521      6.89173615392781      5.98882849646271
  C   20.56860936140345      6.88965382078979      3.88644725186993
  C   20.52984482343580      7.48630669864868      5.15316744735456
  C   21.41676582034021      8.49288186160869      5.48197154768878
  H   21.37187814797989      8.98092054907788      6.44831256924489
  C   22.38471075600568      8.31561224412593      3.27616135436151
  C   21.49128901690174      7.30849915448033      2.93932815302520
  H   21.50772618755480      6.86911467130339      1.94918481195630
  C   18.69603436443116      8.18541895449331      7.87420355392143
  C   19.90427836876002      6.22194870812298      7.29737955539139
  C   19.78550482405232      7.28949974026672      8.38854194270538
  C   17.72627650318445     13.52245435072360      4.53591363969649
  C   15.71646941011817     11.73870539220621      3.88610424088432
  C   16.31314766373457     11.70057867458377      5.15284435055996
  C   17.31934885871910     12.58803470955088      5.48139156764010
  H   17.80741006550320     12.54360064305742      6.44773873039777
  C   17.14178055954965     13.55511761309119      3.27523023073605
  C   16.13503200440747     12.66119494430167      2.93866506184485
  H   15.69571887016951     12.67710152355705      1.94848358731184
  C   17.28337611647664      4.27967479089722      4.15860804264307
  C   19.49235688924000      5.90965076160988      3.80212326944274
  C   18.79361068319290      5.91565172334837      5.01568257948887
  C   17.69304419490014      5.09970434795278      5.20164873954099
  H   17.14540801446346      5.11560828979347      6.13725560169522
  C   17.97008193070713      4.28002729731092      2.94852932125644
  C   19.07885629278707      5.09249013458037      2.76006234823493
  H   19.60261251425757      5.09310327697718      1.81175898074825
  H   16.67784178649705     11.88988932669495      8.50047191275330
  H   15.68975920039941     10.72693656067635      9.36654223605756
  H   19.55610955144149      6.86212885931727      9.36659638517794
  H   20.71869140184001      7.85073315775310      8.50060371801571
  H   23.10764666856406      8.65808182757011      2.54602664596033
  H   23.04861195819147      9.69307662001142      4.77795156020037
  H   17.48402839152698     14.27789217253170      2.54483076135365
  H   18.51894210196023     14.22008656929338      4.77683027970804
  H   12.46926298135762      8.79860355757529      2.14301557489479
  H   16.41615202074582      3.64293808432704      4.28260147414128
  H   17.63064677443398      3.64088163351128      2.14260161751485
  H   12.47157116488073      7.58496111317498      4.28348545040708
  H   20.90928162794400      5.81632889797724      7.18708931317069
  H   19.23286059798664      5.39255043249295      7.52803982926906
  H   14.22007605323544     10.40327143500864      7.52809535912857
  H   14.64350286237813     12.07972696581285      7.18698212551122


64
Coordinates from ORCA-job Z-8*
  P           9.24616559018173     17.22948343875212      7.50962582924339
  P           8.02792933732122     18.45100918098364      8.56204769738996
  Cl          6.87739785698007     19.60044981364898      7.30887004277615
  C           8.90429909160813     17.56870435721483      5.74548120022170
  C           9.33019062577276     13.20184775624315      7.34675270373069
  C           7.95273426637211     16.83483250456926      5.03239969072280
  C           7.00301161946170     14.66088202583508      7.69367999764093
  C           7.72760613467457     14.75379082335737      6.49957194934945
  C           7.06394376493765     15.71167901576830      5.53902446316557
  C           8.61503985713825     13.11422943645295      8.53669770466767
  C           8.88778718296693     14.02364960188734      6.31808030283079
  C           7.44666855832455     13.84021220778689      8.71994213491914
  C           7.71821600413122     17.07074397632857      3.67899540913547
  C           6.62590221015025     15.03558334653921      4.21301564339792
  C           6.66617471152931     16.13776287649339      3.15234894537171
  C           8.42953815108290     18.03964653480694      2.98991187516507
  C           9.06374287814806     22.55774543968200      6.94513991706697
  C           9.63775356286475     18.51871666839414      5.02989557418025
  C          10.91716646975435     20.61609759028655      7.60068445054127
  C          10.27520304861223     20.58724076062567      6.35654409988507
  C          10.76231983266470     19.40748571903606      5.53338374182045
  C           9.69526067872867     22.58378333802871      8.18260296279177
  C           9.34570336019777     21.55317645712162      6.02626751978313
  C          10.62443108455082     21.61035018736079      8.52237173796100
  C           9.39992683145045     18.75135767947360      3.67649418218692
  C          11.43665739346232     19.84305151103203      4.20565816189804
  C          10.33278631220425     19.80195741019745      3.14679463528724
  C          13.27382901118957     17.14274106118210      7.34061922630747
  C          11.81663621925991     19.47127773671463      7.68621444616063
  C          11.72136078196130     18.74481866511566      6.49343415974541
  C          13.36379071596236     17.85974684199161      8.52927159364852
  C          12.45057495560305     17.58395574202748      6.31259548341967
  C          12.63874975550226     19.02881289731448      8.71182992519486
  C           3.91695324123801     17.41436665165293      6.95306507630067
  C           5.85859356721467     15.56090294323387      7.60851919623650
  C           5.88581386184037     16.20079202985787      6.36328371268614
  C           3.89255547103590     16.78490533942110      8.19160942924603
  C           4.91986816464083     17.13029488541807      6.03303939426975
  C           4.86600051413020     15.85572406036347      8.53132575314459
  H          12.20244015462624     19.10558465451227      3.95666351730182
  H          11.92295801003919     20.81327651317666      4.30093847731007
  H           9.82039901999370     20.76589876154452      3.06664211050954
  H          10.71575231080099     19.56455312363861      2.15250860339566
  H           6.90181121540178     15.75306786557688      2.15831256243339
  H           5.70247278474062     16.65070006399425      3.07282023934578
  H           5.65549993662145     14.55008206737859      4.31050490961859
  H           7.36249237628225     14.26893237362637      3.96409451104387
  H          10.24310263525459     12.63164902380114      7.22681422345279
  H           8.97802302978815     12.47367136555659      9.33128231282541
  H           9.45414453972031     14.10776309297817      5.39728957606735
  H           6.89907249596548     13.77022947601333      9.65224225819004
  H           8.25684179621595     18.21085203676471      1.93277164397537
  H           8.33076738174190     23.31690195794068      6.70143806616554
  H           9.45278251047279     23.36619996891856      8.89125338678233
  H           8.81925369949450     21.51752912067619      5.08037215371761
  H          11.10767455287810     21.62788400577861      9.49205647737683
  H          13.84332780494232     16.22932515382466      7.22120240713612
  H          14.00545952961954     17.49768950462457      9.32338259941535
  H          12.36465024570007     17.01619751007144      5.39283471784273
  H          12.71058753790525     19.57787917193479      9.64312337243583
  H           3.15782998120791     18.14737417148310      6.70935774637599
  H           3.11142330828145     17.02899701585228      8.90112278781067
  H           4.95424021695788     17.65512137475318      5.08619355672145
  H           4.84972525049645     15.37405411337809      9.50181581325839


64
Coordinates from ORCA-job E-9*
  P   17.11763419796639      8.28990394613362      4.05566201993866
  P   18.46168894962498      9.63135304329674      3.37832880804273
  Br  18.22017748391759      9.38683095883949      1.15836020374366
  C   17.49358917129103      8.66533368441432      5.82106380487247
  C   16.77537657787422      9.62825152563545      6.53356159454025
  C   13.10102557754993      8.46720881942804      4.15813315296585
  C   15.71936753821629     10.57828645334696      5.99825026954146
  C   14.75992189509758     10.65387344024165      3.80081460137252
  C   14.74303493513921      9.96742730962611      5.02163142857731
  C   13.91147781508397      8.87848514856440      5.20802150815559
  H   13.90828980367292      8.34022350970039      6.14917081611092
  C   13.12656341112221      9.13982324667411      2.94047172300353
  C   13.95361190131382     10.23757809147153      2.75146580324754
  H   13.97496399496528     10.74980319431370      1.79717373301746
  C   17.00746331158449      9.86156409220302      7.88701522823261
  C   15.05332321176017     11.08529144918464      7.30346343770939
  C   16.11751032219790     10.95781954348893      8.39785105830750
  C   17.96756555466242      9.13845267374466      8.57807084893262
  H   18.14372783157945      9.31431975969645      9.63396675997894
  C   18.45597708650151      7.94609559626312      6.53330041170315
  C   22.31051539903708      8.94571174654131      4.53930560662953
  C   19.40508783699434      6.88931583114428      5.99774075815338
  C   20.54580971974462      6.92085750528654      3.88509755231621
  C   20.51322327101527      7.50251792426191      5.15898114529116
  C   21.39131551255683      8.51621686794454      5.48978098531246
  H   21.35116541182272      8.99282909674819      6.46201414768496
  C   22.33675122222891      8.37677663815881      3.27141023990549
  C   21.45215657545183      7.36267317483982      2.93253019182222
  H   21.46113161503297      6.93686631093613      1.93644044103992
  C   18.68965873949179      8.17775257664454      7.88676581239183
  C   19.91150532176475      6.22256054884694      7.30279104417895
  C   19.78507970999306      7.28664757679799      8.39740147660357
  C   17.77779795533524     13.48212377131346      4.53953329499109
  C   15.75129790675052     11.71915865513687      3.88570447210170
  C   16.33330677519601     11.68594429178627      5.15940846152872
  C   17.34786724953619     12.56312485102428      5.49000148630204
  H   17.82476292898702     12.52242052865633      6.46207500715384
  C   17.20844627990818     13.50904011716136      3.27183665413969
  C   16.19352284825951     12.62531842291315      2.93314564677074
  H   15.76736860636887     12.63482385299870      1.93720873721621
  C   17.29156437855204      4.27335936603837      4.15706564966567
  C   19.47969152382687      5.93039332073144      3.80003216923176
  C   18.79332921687696      5.91376095269004      5.02090737788645
  C   17.70370444527338      5.08306959699970      5.20718407400125
  H   17.16555063905236      5.08006616485508      6.14839447890790
  C   17.96402191743896      4.29874454690999      2.93931059321801
  C   19.06251530730967      5.12484391471845      2.75044759191419
  H   19.57459916044420      5.14609423213362      1.79607834174219
  H   16.68512231644802     11.88683379802531      8.51211628013332
  H   15.68531958683905     10.73147706473500      9.37451624477836
  H   19.55829224593180      6.85444684796216      9.37395887978706
  H   20.71463776931829      7.85333035811412      8.51183083154118
  H   23.04646390444607      8.73745461074645      2.53709439690987
  H   23.00076368921623      9.74426173892568      4.78210978114453
  H   17.56943883716438     14.21860377603496      2.53753093964663
  H   18.57697974899974     14.17169609827937      4.78218007694977
  H   12.49600145214600      8.79781896112574      2.12891267045527
  H   16.43239381483157      3.62588277720250      4.28137611113175
  H   17.62131163528313      3.66880528004290      2.12756711719705
  H   12.45281341098454      7.60861029286512      4.28256937405860
  H   20.92090099440084      5.82927959814603      7.18800613676481
  H   19.25124364546254      5.38445101460888      7.53417312547980
  H   14.21462636141693     10.42582308482933      7.53498819642137
  H   14.66099354173867     12.09506882787069      7.18879218750511


64
Coordinates from ORCA-job Z-9*
  P   9.27897611158041     17.19501854435567      7.50129828845952
  P   8.11478157588813     18.36046231683159      8.66631042201453
  Br  6.80134599678810     19.67452230542270      7.45333408437345
  C   8.89831960299510     17.57568427186060      5.75302412773600
  C   9.32828198483227     13.20306526895569      7.34010953741893
  C   7.94458384740775     16.84432768668312      5.03832801972459
  C   7.00195094396190     14.66363825079485      7.69194965929480
  C   7.72567452533611     14.75722445523121      6.49745681369602
  C   7.06041209708307     15.71290348553233      5.53690292987751
  C   8.61512938759684     13.11601207810670      8.53127548947429
  C   8.88523325826618     14.02685336313769      6.31355506621704
  C   7.44795782276367     13.84345087497431      8.71738510866425
  C   7.71115079127262     17.08249171451239      3.68499475677260
  C   6.63288257160333     15.03778729996839      4.20743718255425
  C   6.66833013183451     16.14349189850947      3.15097178925229
  C   8.42283413524822     18.05136391529169      2.99718470256367
  C   9.10530641407091     22.59269951557338      6.92969322317943
  C   9.63013885145089     18.52905684222276      5.03831331848365
  C   10.91978051521952     20.62097854730656      7.60381211479153
  C   10.28547451497018     20.59931135745526      6.35569551506856
  C   10.76208582972386     19.41255146827956      5.53681552764126
  C   9.72643754000497     22.60983138917356      8.17253818259930
  C   9.37549527137531     21.58034958956290      6.01591485636887
  C   10.63595281971395     21.62151072556888      8.52173804652435
  C   9.39203417025453     18.76259176785981      3.68499664697878
  C   11.43739033630287     19.83964357413414      4.20728442347376
  C   10.33154171530509     19.80495122345894      3.15094543443390
  C   13.27075987793900     17.14318632822001      7.33977412672385
  C   11.81172308574505     19.47047006978908      7.69169835582607
  C   11.71747362486317     18.74671835493594      6.49727264288400
  C   13.35850176487128     17.85639026440175      8.53085641520267
  C   12.44706776910049     17.58667855942919      6.31333233554766
  C   12.63182918450422     19.02403093296946      8.71701264585925
  C   3.88130275433855     17.37178586742223      6.92964544152300
  C   5.85200392607511     15.55630641337446      7.60399721802216
  C   5.87398528427204     16.19037094261297      6.35576677857289
  C   3.86386238923846     16.75088161610722      8.17260076211396
  C   4.89344784556083     17.10084359813160      6.01586197309120
  C   4.85167453131533     15.84085997819380      8.52191749828841
  H   12.19686596956925     19.09588270024685      3.95789791568349
  H   11.93128285519816     20.80624234212677      4.30009311563815
  H   9.82709164680536     20.77278674077981      3.06840642476066
  H   10.71051606896282     19.56047080014813      2.15681885979642
  H   6.91273330489701     15.76423118129514      2.15693352233435
  H   5.70078878985122     16.64846780266120      3.06821411279138
  H   5.66592622086157     14.54459209588887      4.30024802047080
  H   7.37609357148156     14.27774383276176      3.95814092881817
  H   10.24010137255958     12.63170265261057      7.21799284817948
  H   8.97856974105996     12.47429273052156      9.32469902697873
  H   9.44987006224518     14.11201131120966      5.39183888552414
  H   6.90180779418035     13.77343956080816      9.65050456039367
  H   8.25472564466524     18.21956751064332      1.93885568446146
  H   8.38863143092507     23.36473279469383      6.67803344961945
  H   9.49177917187494     23.39799877619423      8.87737004466172
  H   8.85672981401364     21.55284439320357      5.06556988664656
  H   11.11307686942532     21.63377356327305      9.49448407228484
  H   13.84151967156740     16.23099367300949      7.21763003861016
  H   14.00015287110117     17.49261903107649      9.32418312353314
  H   12.36137944346472     17.02202442798718      5.39167465748075
  H   12.70236815672159     19.57022239320879      9.65006856633518
  H   3.10966091664827     18.08885038587198      6.67788865355867
  H   3.07585363504029     16.98611087715017      8.87742012352400
  H   4.92119880228934     17.61942599982137      5.06542324078431
  H   4.83917537391681     15.36389776645538      9.49473877583779


64
Coordinates from ORCA-job E-10*
  P   17.11465012979244      8.28707559417971      4.06893769349550
  P   18.45377848272848      9.62426272057197      3.36910792582937
  I   18.13950853938633      9.31021932824187      0.95434605884037
  C   17.49205389799119      8.66371282126333      5.83233908147640
  C   16.77533252249784      9.62755772967268      6.54411076498224
  C   13.11924023740738      8.45535004642251      4.15655201606470
  C   15.72098520336673     10.57837779205510      6.00671522487897
  C   14.78078049501802     10.63992661197740      3.80009630975205
  C   14.75059290957858      9.96341544672793      5.02648981495225
  C   13.91681887570779      8.87598214592703      5.21253725089179
  H   13.90275070570120      8.34550315921157      6.15798492202778
  C   13.15995656032598      9.11649572105212      2.93303094228391
  C   13.98837910092800     10.21318846117432      2.74422976220799
  H   14.02239271701727     10.71603436038113      1.78536996417052
  C   17.00685215397111      9.86044291047702      7.89751815645384
  C   15.05389796872012     11.08635913683842      7.31051513174040
  C   16.11577999087920     10.95639927779661      8.40750369599674
  C   17.96657632334520      9.13629110115838      8.58852313445062
  H   18.14197455453056      9.31096853013121      9.64474728486397
  C   18.45546040067106      7.94549427223461      6.54327697327055
  C   22.30225019922531      8.95638684343760      4.54423141125181
  C   19.40462913389450      6.89029978966372      6.00488713098448
  C   20.53143934324628      6.93883415324239      3.88474498416813
  C   20.50903634545707      7.50828706417350      5.16443173392870
  C   21.39029472177906      8.51832108884740      5.49787662822952
  H   21.35824227122194      8.98563419564115      6.47490736831022
  C   22.31804439638878      8.39985601481220      3.27070658551765
  C   21.43017882038505      7.38954120187822      2.92906258338938
  H   21.43055171488004      6.97388890240067      1.92867283248804
  C   18.68939702647937      8.17615005496949      7.89664196928864
  C   19.91275159079780      6.22210747382473      7.30812014372445
  C   19.78468651791443      7.28367142422353      8.40561238996469
  C   17.78977249692211     13.47484375446393      4.54757721064678
  C   15.77036480175006     11.70649502309516      3.88726494844990
  C   16.34002491415556     11.68262962998188      5.16682139438034
  C   17.35094290077883     12.56270178307947      5.50069413542808
  H   17.81831448040107     12.52967779441566      6.47766841280723
  C   17.23306951148723     13.49202393206188      3.27414535296154
  C   16.22178082554147     12.60541986441578      2.93210575762276
  H   15.80595085490245     12.60685524934383      1.93179301820441
  C   17.27785008833202      4.29089336996406      4.15576571507902
  C   19.46386561834279      5.95030800014432      3.79812317389182
  C   18.78803800699850      5.92072195001158      5.02489295613632
  C   17.69985606438137      5.08804004027706      5.21152545284949
  H   17.16988896607304      5.07453705293942      6.15726948269563
  C   17.93833890347108      4.33101103329695      2.93187486566839
  C   19.03571824981787      5.15838663253344      2.74246891640452
  H   19.53803793258509      5.19195305826734      1.78331560651720
  H   16.68331165075937     11.88507123071491      8.52483007016948
  H   15.68092907746125     10.72875721771242      9.38269381236995
  H   19.55717585068950      6.84867698948291      9.38076513149499
  H   20.71404734989828      7.85015006383117      8.52258201136193
  H   23.02179504139991      8.76747840978938      2.53411045990157
  H   22.99504354397314      9.75204667282811      4.78930315688842
  H   17.60125984274411     14.19590182580085      2.53795660227142
  H   18.58613085866986     14.16670413933017      4.79301038981643
  H   12.54047472523183      8.76604103861263      2.11658197339263
  H   16.41958335277040      3.64227719959338      4.28038068091201
  H   17.58679433310584      3.71193059804394      2.11558904614966
  H   12.46975979070877      7.59767153005411      4.28072362202258
  H   20.92304225432066      5.83138188625158      7.19240857744349
  H   19.25459692453050      5.38192038900672      7.53800062309810
  H   14.21302780369987     10.42905924837701      7.54036154722078
  H   14.66429613286154     12.09717901766918      7.19566102586726


64
Coordinates from ORCA-job Z-10*
  P   9.22440016242617     17.25050391837309      7.52186687272249
  P   8.06379330052391     18.41223707897322      8.69450593991779
  I   6.60750105417781     19.86760596581587      7.40740910494069
  C   8.85875416777301     17.61425410603323      5.76731592754472
  C   9.39328929264414     13.27939740164513      7.34891293339950
  C   7.91322785491400     16.87333622340864      5.05072588685831
  C   7.02549397526876     14.67197849905469      7.69987816134128
  C   7.74512928542855     14.78409315026073      6.50451140619952
  C   7.05275344803216     15.71994338748942      5.54328744832115
  C   8.68494898401795     13.17557417766459      8.54172604763900
  C   8.92520008321308     14.08695098380707      6.32080362291465
  C   7.49732678521619     13.86889359372849      8.72750962905042
  C   7.68664521481791     17.10364793793654      3.69497716731143
  C   6.65010703004401     15.03726063007448      4.20997513350822
  C   6.66255143448563     16.14663102077547      3.15667471588991
  C   8.39864513137382     18.07139900146224      3.00591482131329
  C   9.23101100202488     22.67421541623664      6.91091501032385
  C   9.59942301454054     18.55846343241225      5.04873815031665
  C   10.95496655108258     20.62853664326816      7.60143203499236
  C   10.32068352999223     20.62512733473296      6.35295367239569
  C   10.75401972042551     19.41871832527152      5.53885933518858
  C   9.84985944157706     22.67188649527174      8.15485692560710
  C   9.45621366304326     21.64375584787723      6.00494210840593
  C   10.71415957787290     21.64660861673720      8.51223912126600
  C   9.36747340302705     18.78377210966816      3.69303083484243
  C   11.43510555220996     19.81955036689584      4.20415626920094
  C   10.32418303854473     19.80699346638682      3.15253781904210
  C   13.19657338669670     17.07897410542110      7.34278519496925
  C   11.80601888381071     19.44801920700701      7.69345763431055
  C   11.69104801258052     18.72684024849908      6.49928954713450
  C   13.30330810235469     17.78889853192880      8.53440018839978
  C   12.38718070355861     17.54615303887103      6.31571070671203
  C   12.61104231458281     18.97715600058930      8.72002201914745
  C   3.79974164573885     17.24724596325998      6.91641250799964
  C   5.84541276664660     15.52362333234830      7.60776894026760
  C   5.84749855198710     16.15534124204254      6.35799189809080
  C   3.80347739542536     16.63108378021661      8.16168078845941
  C   4.82883401979584     17.01956921107017      6.00950387849724
  C   4.82875177316817     15.76695214600276      8.51948364514763
  H   12.17354864920997     19.05460755491611      3.95555119363987
  H   11.95452195687655     20.77339046403058      4.28928009615982
  H   9.83916670006950     20.78476637402733      3.07138635658821
  H   10.69344464261952     19.55351953240731      2.15706570026606
  H   6.91531292001609     15.77571061228265      2.16163650745998
  H   5.68495733898775     16.63196329052952      3.07529167434420
  H   5.69585976760285     14.51887050329547      4.29678262311939
  H   7.41408885856727     14.29770101352778      3.96175276508193
  H   10.32082217149550     12.73388487969738      7.22685757724330
  H   9.06838585333423     12.54745870651618      9.33660938284632
  H   9.48599066899169     14.18579243576198      5.39807594970169
  H   6.95473326938645     13.78576902026690      9.66159587160608
  H   8.23753010854441     18.23133565143129      1.94523892676610
  H   8.55072667995263     23.47619438512093      6.65214415049690
  H   9.65036502107627     23.47500759599316      8.85355555715956
  H   8.93996803911569     21.63465301174627      5.05297812206256
  H   11.19171795322337     21.64556199510423      9.48483450033476
  H   13.74135080562750     16.15099654072536      7.22082774012983
  H   13.93292797117091     17.40623514756622      9.32846678919627
  H   12.28623511332787     16.98425168712357      5.39388416762540
  H   12.69650714312843     19.52102031437083      9.65315811713188
  H   2.99779227474896     17.92744908349450      6.65733193298802
  H   3.00146545982488     16.83255695616892      8.86108464580988
  H   4.83697043390121     17.53385154995754      5.05646822035296
  H   4.83086894415634     15.29148375541898      9.49309938229886

7
Coordinates from ORCA-job trans-MePPCl
  P   17.73997267253294      8.08361745360780      4.06717234783927
  P   18.02402270031843      9.91331283146481      3.27570599373589
  Cl  18.23382019409095      9.52738293229583      1.26783547264774
  C   17.58495433985648      8.66133222312098      5.82192184208818
  H   16.60957072451541      8.35398008231233      6.20315083386135
  H   17.68988625853166      9.74050476310799      5.94848157834713
  H   18.34988511015405      8.16031671409022      6.41791493148041


7
Coordinates from ORCA-job trans-MePPBr
  P   16.92584112109168      8.91833539334469      4.08469244546898
  P   18.76112349684131      9.19266693872276      3.30221504171189
  Br  18.34541030693903      9.42885237847093      1.13060965240012
  C   17.48549043446618      8.75307441018135      5.84505454539146
  H   17.16779072351101      7.77791350442879      6.21891771255382
  H   16.98252639279248      9.51869579510808      6.43892735658512
  H   18.56392952435821      8.85090857974333      5.98176624588859


7
Coordinates from ORCA-job trans-MePPI
  P   17.74542878427145      8.13084859481218      4.10488419100654
  P   18.01889523767069      9.97163167896882      3.33033148138297
  I   18.27370389123600      9.50732565951211      0.95433954259076
  C   17.57703902926741      8.65062671144391      5.87611881478031
  H   16.60008775922210      8.32538426737029      6.23958732996778
  H   17.67778181502543      9.72495491017785      6.03751084780467
  H   18.33917548330681      8.12967517771479      6.45941079246693


42
Coordinates from ORCA-job E-12*
  P   0.21767184272316      1.60544944434000      5.20589420887510
  C   0.32830423302674      1.58306694418629      7.03475290731012
  C   0.47499640309904      2.78669159744880      7.74135042939902
  C   0.62992041646098      2.74529625061399      9.11943936210475
  C   0.64684908863421      1.54453134890478      9.82008898907269
  C   0.51141839739593      0.36635145688686      9.10070208348496
  C   0.35412512579384      0.36131652654330      7.71917787382871
  C   0.44914844447432      4.10642664014922      7.03191124351529
  C   0.81501568386107      1.53042337638563     11.30847772445280
  C   0.20367499776711     -0.94234582409878      6.99521860978386
  H   0.74212970849331      3.67936584588785      9.66133516552646
  H   0.53067722915712     -0.58228978022517      9.62773224467895
  P   -1.78548974881607      1.60432890217523      4.98017096935491
  C   -1.89609346550160      1.58232227449304      3.15130564010000
  C   -2.04267935284700      2.78609173022391      2.44494937614991
  C   -1.92201327718074      0.36070300188728      2.46663430045642
  C   -2.19758379202520      2.74498984605468      1.06684853482783
  C   -2.01669536242761      4.10567385999529      3.15466675945873
  C   -2.07929731330875      0.36603055308748      1.08511088469292
  C   -1.77173079253545     -0.94313065827675      3.19032048968143
  C   -2.21461241917529      1.54436884268392      0.36595816282997
  H   -2.30969648435155      3.67918019370999      0.52513873959455
  H   -2.09864719086199     -0.58250242640784      0.55789106789736
  C   -2.38276718645554      1.53057758416556     -1.12243501159703
  H   -2.01913713795645     -1.78072159984649      2.53799499566784
  H   -2.41970390777640     -0.99136186947567      4.07033544959917
  H   -0.74894281965844     -1.08034685954654      3.54962431593570
  H   -2.31940615140197      4.91361281042599      2.48855140550283
  H   -1.01623212754603      4.33031712326431      3.53291378787433
  H   -2.68527406574362      4.10752239033629      4.02081837230245
  H   -2.34260541426585      0.51512739839160     -1.51657774117841
  H   -1.59951626574627      2.11380680694904     -1.61221406691282
  H   -3.34049500321673      1.96788410693180     -1.41496604709630
  H   0.75192032908347      4.91419769381330      7.69820366607532
  H   -0.55128529313077      4.33124031540228      6.65369196351535
  H   1.11774458098617      4.10840203666318      6.16577380789548
  H   0.45103031002763     -1.78010130541861      7.64735035600848
  H   0.85159778509573     -0.99044861392326      6.11515933005241
  H   -0.81914838327635     -1.07938365449476      6.63593977432908
  H   0.77477227030516      0.51489643164582     11.70241451255505
  H   0.03181699730267      2.11361819297976     11.79838160829289
  H   1.77278211151804      1.96759106508731     11.60108975410122


35
Coordinates from ORCA-job E-13*
  P   0.05611462659190      1.76760828674397      5.18021244430772
  C   0.31032361142595      1.91328346613541      7.04055090441480
  P   -1.94226377476553      1.71267068004510      4.93886650799883
  C   -2.00035108864195      1.57240499540994      3.11142714835185
  C   1.18426357642980      0.72088987838828      7.43509794334604
  C   -0.95321082907596      1.92919832075159      7.88283153413823
  C   1.09427232292049      3.21028638604879      7.25115688130866
  H   -0.68723621981872      2.02024913729998      8.94090324753299
  H   -1.53192889725347      1.01209305169962      7.75900346996044
  H   -1.60025454714164      2.76959240977072      7.62509122599996
  H   2.00377994089561      3.23589546146916      6.64651468460456
  H   1.38671182115907      3.29704279492161      8.30237996950959
  H   0.49199427197736      4.08405641743493      6.99453937390909
  H   2.09943415586896      0.67622700005830      6.84028575673647
  H   0.65051823709990     -0.22295073559661      7.30676816767381
  H   1.47066069240351      0.80723833880702      8.48802645083028
  C   -2.12853462754683      2.72693338620960      2.32823394767998
  C   -2.00865138763673      0.30770246128927      2.50304957338660
  C   -2.24763999882293      2.59757814658839      0.94935076814654
  C   -2.12174540760074      4.09078851271846      2.94835960209706
  C   -2.13093022152194      0.22534325386846      1.12317953662441
  C   -1.87463318394416     -0.94601126816719      3.31236433261502
  C   -2.24910616941511      1.35787246687414      0.32658838685388
  H   -2.34234192730691      3.49508610646743      0.34629894454219
  H   -2.13503140029930     -0.75500052137864      0.65678454183793
  C   -2.39665559999162      1.23650321456155     -1.15903924507689
  H   -2.08602275666967     -1.82596738335431      2.70476961563582
  H   -2.55704377598557     -0.94646101721711      4.16716577886833
  H   -0.86623104370268     -1.04488748225885      3.72105364739680
  H   -2.41453107106711      4.85042190893541      2.22349758992112
  H   -1.13013365193435      4.34502235503488      3.33069560468109
  H   -2.80649192012214      4.14675981429656      3.79972012765359
  H   -3.39721890940811      0.88554606266107     -1.42601610012073
  H   -1.68290520312532      0.52023201405525     -1.57041536635967
  H   -2.23895064397396      2.19554007942765     -1.65295999700680


35
Coordinates from ORCA-job E-14*
  P   0.32648248225306      1.42416111177179      4.95514497182813
  Si  0.42126286839866      1.80837004711529      7.20478615905022
  P   -1.62309391316208      1.88770701274167      4.73091025931544
  C   -1.88657030068609      1.65445461963688      2.93470572208610
  C   2.09421974864491      1.18007209659559      7.77075325397193
  C   -0.94303461514254      0.89278786247082      8.10294578042667
  C   0.28839221226914      3.65189843161867      7.51124407960635
  H   -0.86190267371836      1.05319177411818      9.18144981834425
  H   -0.88394535677700     -0.18043929000501      7.91268466189457
  H   -1.92508488988167      1.23969155768979      7.77673724124436
  H   1.05187127570765      4.19994341197235      6.95565571587323
  H   0.41380498265017      3.87753138914248      8.57364493681601
  H   -0.68868292333132      4.02176800346398      7.19416901737945
  H   2.90481926075808      1.68791840382393      7.24392540288030
  H   2.19576075294612      0.10837793032539      7.58767005079765
  H   2.22669083398665      1.35323818197268      8.84187132048839
  C   -1.86387636372570      2.77108068983359      2.08804884570119
  C   -2.20362265075748      0.38921501582210      2.42032348147906
  C   -2.14326857791128      2.60070366285068      0.73802513890001
  C   -1.52556201690145      4.13170244725663      2.61649639645884
  C   -2.47838713355335      0.26514839772190      1.06484288909327
  C   -2.24603095339104     -0.82190898049787      3.30196306292816
  C   -2.44797985419543      1.35564867754780      0.20474047587786
  H   -2.12772565297094      3.46906361622986      0.08675370696173
  H   -2.72975867935957     -0.71464882002964      0.67071021359264
  C   -2.71840327501016      1.18787522267570     -1.25881225258002
  H   -2.67800060410857     -1.67222432380446      2.77421181824513
  H   -2.83853920793238     -0.64167151843410      4.20363559384385
  H   -1.24459791500152     -1.09938273001795      3.63862679403079
  H   -1.73378725420653      4.90351054312149      1.87542294691024
  H   -0.46917523738732      4.19574960083063      2.88953255208294
  H   -2.09640756825735      4.36406195082861      3.52086579904551
  H   -3.44553455237234      0.39517052726565     -1.44067412917675
  H   -1.80359637448732      0.91976274375009     -1.79518236933291
  H   -3.09870687338553      2.10925873259466     -1.70149235606492

27
Coordinates from ORCA-job E-15*
  P   -0.08994825056165      1.70684331484800      5.16566874229820
  O   0.21497904290851      2.00481077793358      6.74252081635926
  P   -1.96739608926703      2.38502634494077      4.89542190537191
  C   -1.97883067911559      1.91522137359619      3.11296090557260
  C   1.48564443928641      1.65462957910517      7.26344569407213
  C   -1.61564224671472      2.86054178866150      2.13860428840954
  C   -2.45295041550730      0.65534939496968      2.71962863662441
  C   -1.72415209910686      2.52311201102035      0.79689983364814
  C   -1.11053616999352      4.21880902081234      2.51789130578539
  C   -2.54361284238090      0.36069272119367      1.36338667849039
  C   -2.85872253804893     -0.37941142399828      3.72410219977475
  C   -2.18418189612666      1.27748415015411      0.38688591070339
  H   -1.44262604547830      3.25814234368518      0.04927655686041
  H   -2.91006639443493     -0.61619484835537      1.06473573807275
  C   -2.30400822025095      0.94818561309775     -1.06933408745712
  H   -3.38212700772725     -1.20445122392623      3.24063585035897
  H   -3.51133430975357      0.04272695983133      4.49276940686519
  H   -1.99029959553117     -0.78481880677994      4.24862445893045
  H   -1.06361850685513      4.87210323030045      1.64645608385239
  H   -0.11227153940408      4.16169440435788      2.95815316718202
  H   -1.75109511393137      4.68799153506234      3.26939103185266
  H   -2.55296616146767     -0.10236565976753     -1.21969023539079
  H   -1.37198297275225      1.15543442185113     -1.59954109210946
  H   -3.08482328518568      1.54827086079147     -1.54372210473036
  H   1.96851115218309      2.55341024677984      7.64984688482358
  H   2.12547312949496      1.20610782281364      6.49721390269767
  H   1.34905361572263      0.94116304702090      8.07745652108137

31
Coordinates from ORCA-job E-16*
  P   0.02653409294643      1.82229902521622      5.15471870815014
  N   0.38246905928305      2.09546517097613      6.76408691551234
  P   -1.83069014966970      2.58841297155327      4.83700545023516
  C   -1.91823851819140      2.01412994221304      3.08811581099640
  C   1.72998946837024      1.86211970169935      7.23186167122283
  C   -0.50914874119493      2.73423328866941      7.69861167246231
  H   -0.47520025450669      3.82714884030237      7.61483304823389
  H   -0.23704315773756      2.45505018863992      8.71871998471179
  H   -1.53787104511033      2.41851884858780      7.50935678382221
  H   2.24055544889470      2.80139361713522      7.47325292397131
  H   2.30357455597877      1.35184639104797      6.45774419851032
  H   1.72193917016881      1.23613887800760      8.12964061332114
  C   -1.50600686838327      2.86397278058851      2.04726781129666
  C   -2.48984908361392      0.77059753530683      2.78260101379414
  C   -1.66091526973577      2.44880791655871      0.73188184459143
  C   -0.89397020975258      4.20257809686491      2.32608472359687
  C   -2.62455725306754      0.39464012132811      1.44986454788176
  C   -2.95197530961611     -0.16509055642558      3.85758345581251
  C   -2.21490122111853      1.21560474270629      0.41034809099937
  H   -1.33852435880226      3.11065669114557     -0.06612602767175
  H   -3.06574731249456     -0.57035254970511      1.22110931814528
  C   -2.37095531452850      0.79662302520357     -1.01947696650068
  H   -3.53327605398790     -0.98492545547652      3.43472732007052
  H   -3.56554358934801      0.35260556181758      4.59907770994922
  H   -2.10570907006013     -0.58957996262372      4.40310662383574
  H   -0.79395753961379      4.78134264615626      1.40744562724302
  H   0.09588871700089      4.09832093618635      2.77640273042235
  H   -1.49476771715238      4.77601193976879      3.03646832240533
  H   -2.77222376095535     -0.21413148967963     -1.09502756443325
  H   -1.41266153301664      0.82011850006670     -1.54354029862948
  H   -3.04709418098504      1.46756765616405     -1.55520706395904


35
Coordinates from ORCA-job E-17*
  P   -0.14899302544881      1.74451303327851      5.07689664569173
  N   0.26920479941761      1.87941906703509      6.95119753549590
  P   -2.14647423161974      1.75908584150413      5.00553065585725
  C   -2.05559915834064      1.60412818225528      3.18142444309214
  C   1.00775903283017      0.63946512740984      7.29769397244713
  C   -0.89056070399996      2.03874731479658      7.85199238471622
  C   1.17154405472194      3.05043562255516      7.08437513783619
  H   -0.53117397797189      2.11310447837767      8.87928681254042
  H   -1.54741737578263      1.17684273225028      7.75725709254486
  H   -1.43450008101145      2.94350732195943      7.58950383190093
  H   2.01621366111583      2.93247919670702      6.40772166338224
  H   1.52934998989136      3.10933396148715      8.11290362418100
  H   0.62331766456656      3.95555646622326      6.83076225576040
  H   1.85077944574676      0.52111748373347      6.61882933111393
  H   0.33863351528884     -0.21324380310134      7.20236128622491
  H   1.37006470452315      0.71467778720452      8.32368508563230
  C   -2.08909915730175      2.76711753909499      2.39218706636452
  C   -2.07605237591876      0.32758667595120      2.59953845964521
  C   -2.12613136512023      2.62226289701545      1.01575981906279
  C   -2.08826122886675      4.13102541122328      3.00921097378605
  C   -2.11170756294698      0.24036894546649      1.21504963057215
  C   -2.06866450888671     -0.91732575089736      3.43149466805468
  C   -2.13217604314351      1.37001545565131      0.40636679722180
  H   -2.15922066990007      3.51339468827128      0.39821545222025
  H   -2.13411405580656     -0.74115876821821      0.75479552598724
  C   -2.17853356454071      1.25355707727070     -1.08299144542131
  H   -2.38372510584906     -1.77835589535302      2.84407418393873
  H   -2.74306622080088     -0.83474643587984      4.29028606192681
  H   -1.07190933908105     -1.12955608326725      3.82755755401353
  H   -2.39129283442369      4.88602705019354      2.28549156247930
  H   -1.09638159719872      4.40204431306256      3.38075088354019
  H   -2.77499534461304      4.19023788156469      3.86059992209353
  H   -2.12275782223066      0.21517605018010     -1.40593724223998
  H   -1.35236741745768      1.80008055012091     -1.54219375961130
  H   -3.10366309984026      1.68186658487303     -1.47534087205197


35
Coordinates from ORCA-job E-18*
  P   0.48379941213418      2.59001329653290      5.06125673471002
  P   0.36289711716598      2.04056609179578      7.17480459568303
  P   -1.17207079184237      1.46125868010823      4.62283666137529
  C   -1.60182277108680      1.52657334394552      2.90839757233624
  C   1.70695446944907      2.91891372525919      7.98598773236239
  C   0.59827383801942      0.28216928069185      7.47248673747090
  C   -1.17443796771803      2.53381615460045      7.96790498813115
  H   0.60936577481114      0.08466885895400      8.54581434664260
  H   1.54205744885859     -0.03731037985011      7.03082480892163
  H   -0.21722059628007     -0.27068893398822      7.00609446641292
  H   -1.32292606681899      3.60542007763353      7.83600213839321
  H   -1.13465163059963      2.29618417481265      9.03239289561036
  H   -2.00316589047322      1.99976977032401      7.50315696712172
  H   1.57935993629288      3.99254242905882      7.84550759694535
  H   2.65815017484338      2.61692169213430      7.54690426069730
  H   1.71149942230688      2.69082701672054      9.05262409177168
  C   -0.95439596110942      2.24730325409115      1.86540030503934
  C   -2.75311078881704      0.74008755504390      2.60255764219622
  C   -1.46191820545375      2.16966834229227      0.58408867526558
  C   0.25380052916099      3.08500834283759      2.09719004351982
  C   -3.21149543590134      0.70513332410877      1.29965418581806
  C   -3.49694928475709     -0.06113469937175      3.63208163384902
  C   -2.58704503884000      1.40889179650915      0.27453104391938
  H   -0.96527066556773      2.72070309646513     -0.20654752367331
  H   -4.08587184119038      0.10758660410803      1.06992798652263
  C   -3.10180824832097      1.35632015477301     -1.12316894692073
  H   -4.33132138773943     -0.58088418022267      3.16414727044831
  H   -3.90113521653939      0.56733613624607      4.42758851156857
  H   -2.86021715393270     -0.81196515655876      4.10326168107718
  H   0.59192694286686      3.53969074708906      1.16750401676552
  H   1.08326703803827      2.49461011457138      2.49879557620198
  H   0.05452793831202      3.89339997065120      2.80796233494167
  H   -3.97628355024628      0.71391178042717     -1.20922132277448
  H   -2.33143548963428      0.98497743433418     -1.80302703696342
  H   -3.37329705939069      2.35649810387161     -1.46938567138734
