4
C2H2  (acetylene)
  H   -0.22988852995794     -2.28743205755737      1.72978434260845
  C   -0.68193930029966     -1.35144021923894      1.95838821363930
  C   -1.19024765852152     -0.29760521582060      2.21633693051013
  H   -1.64185800985203      0.63858795267426      2.44501520496678
>
12
1’  (trans-Me(Br)Ge=Ge(Br)Me)
  Ge  0.56853692921256      0.70380742238643     -0.35593196554669
  Br  2.51127122729248      0.91826916648149      1.01358131042975
  C   0.81840754603878     -1.03330197499577     -1.26699394189651
  H   1.82038277573018     -1.09616989832059     -1.68901151204948
  H   0.68270602844583     -1.83241054658228     -0.53805052711293
  H   0.07023434171327     -1.12438884831868     -2.05491847825758
  Ge  0.51496200073153      2.67956242083737     -1.78861088047612
  Br  -1.42782518438190      2.46425214509685     -3.15787445184437
  C   0.26466859471069      4.41706430518696     -0.87849932890488
  H   1.01304480895524      4.50908704970433     -0.09087904232333
  H   0.39965564863159      5.21574205287466     -1.60804704198349
  H   -0.73721050176991      4.47965706649069     -0.45617916125286
>
6
2’  (Me(Br)Ge germylene)
  Ge  0.09780391833419      3.84632723897671      0.76863000401324
  Br  -2.27553375852778      3.64565460564866      0.43533522544793
  C   0.63583556999928      3.50343416407081     -1.12428916477193
  H   1.70124489810736      3.26891475716899     -1.17334575454094
  H   0.05056427951861      2.70338904822071     -1.57867566555194
  H   0.45442412153124      4.42282082388519     -1.69187522874407
>
10
3’  (bromo(1-propenyl)germylene)
  Br  0.87783009521414     -1.15095546869674     -0.57554618810712
  Ge  1.52271208506828     -1.67978008893732     -2.83524553639232
  C   3.94324066373274     -1.35360421982027     -5.12511486400757
  H   4.67055638539629     -2.09974772350770     -5.45805181390669
  H   2.94185067575053     -1.76011207823988     -5.27103169440644
  H   4.06081812450201     -0.48977657918113     -5.78644223719731
  H   3.73135974251937     -0.67739116644452     -1.70165051339745
  C   3.37154621622564     -1.01799086727078     -2.66831627971538
  C   4.21801910198081     -0.95809398883291     -3.71001980141492
  H   5.22509239493132     -0.57564690047712     -3.54171613325502
>
10
4’  (1-bromo-1-methylgermirene)
  Ge  -0.16942566552992     -0.07258342501513     -0.40316271961808
  Br  0.58770696182709      1.07138360851577      1.51219250905972
  C   1.39170162450264     -0.65599717190609     -1.41147672155310
  H   1.99161714834371     -1.31503494268745     -0.78688186571188
  H   1.04994122887785     -1.18473654207968     -2.29982180483626
  H   1.97817008779583      0.21634296119584     -1.69294766013475
  C   -1.90865417716139     -0.84278311388066     -0.36737148672616
  C   -1.91850607050858      0.30488509072539     -1.05005830946162
  H   -2.65234082234846     -1.57801924394874     -0.08161345848224
  H   -2.67389788476168      0.89709601110966     -1.55403686838791
>
12
TS(1’->9’)
  Ge  1.09736168685224      0.99157599762237     -0.88118643718416
  Br  2.23800850100695      0.89137754776969      1.18425444829708
  C   0.79868004301711     -0.89530265592806     -1.32817708335891
  H   1.71963490192920     -1.45496783546920     -1.16564905852476
  H   0.02364354937756     -1.28478891944352     -0.66524772145699
  H   0.46753895642520     -0.97222746655266     -2.36242352016173
  Ge  0.76869004928219      3.03194006377830     -2.33228699691282
  Br  -1.48689416458281      1.96113271349120     -2.66241315542118
  C   0.27498186509826      4.31687222309020     -0.85391833991145
  H   1.16021358978668      4.50635823137020     -0.24320679307389
  H   -0.02542808226860      5.24868773980128     -1.33580193042298
  H   -0.53759668061364      3.96051272131164     -0.22535843308668
>
12
9’  (2-bromo-1,2-dimethyl-bromodigermirane)
  Ge  0.83471189190156      1.00990465121587     -1.07143135653950
  Br  0.82881009395623      1.11283603209543      1.29936086914391
  C   0.92403961485940     -0.91442680124830     -1.46527738698620
  H   1.89942012550746     -1.28228620063194     -1.14561146641203
  H   0.13982731065803     -1.43450271575473     -0.91855533464411
  H   0.80188874937045     -1.06373063638714     -2.53737005446289
  Ge  0.62494329596803      3.10038699045136     -2.47814213072962
  Br  -1.56193227007389      1.58908240325631     -1.72915702360739
  C   0.50279444552277      4.35369153255756     -0.90976949008342
  H   1.51057747163053      4.74490532756411     -0.73763282183155
  H   -0.14623414089768      5.18622893212255     -1.18764745352329
  H   0.13998762690748      3.89908084560036      0.00981862845763
>
12
TS(9’->10’)
  Ge  1.66084673878132      0.53006007935421     -1.73948472838283
  Br  1.81553121425191      1.40525538028562      0.55757783868787
  C   0.75061337433599     -1.19712955236969     -1.28764748697265
  H   1.52305143637350     -1.85071993699662     -0.87405104829906
  H   -0.03400131820586     -1.05430501265052     -0.54753932559691
  H   0.34326304424448     -1.64640180276620     -2.19427401385038
  Ge  0.97864360691174      3.54860897137328     -2.27205694635746
  Br  -0.80910766365296      1.77870222056936     -2.34178135498060
  C   0.18437097658962      4.54402833026043     -0.74092290031187
  H   0.91548549942291      5.25773532981652     -0.35540078287175
  H   -0.67631288052737      5.09767768964603     -1.13393240140687
  H   -0.15354981321490      3.88765866431904      0.05809812912408
>
12
10’  (dimethyl-di(mu2-bromo)digermylene)
  Ge  1.72960057728687      0.08712507562096     -2.27982719483772
  Br  2.47786871731144      1.81238741715037     -0.40701899000593
  C   0.53650323772463     -0.92591116395604     -1.03013209019801
  H   1.16459709727452     -1.55175521134287     -0.39011447648223
  H   -0.07589313186881     -0.27437018295521     -0.40969574641401
  H   -0.11122030529077     -1.57426361625759     -1.62655786689878
  Ge  1.40802942706453      3.65218329163260     -1.99762950190222
  Br  -0.19308556951286      1.77834185169077     -2.98700639540930
  C   0.07173122738879      4.22766540685635     -0.62191387746988
  H   0.58667317267870      4.84694578391199      0.11781382525108
  H   -0.68997942770346      4.83484528423147     -1.11888330450088
  H   -0.40599080704324      3.38797642425862     -0.12044940235062
>
16
TS(10’->11’)
  Ge  -0.21848212435440      0.03138275504860     -0.23433039807995
  Br  2.07105923264730     -1.57625722235321     -0.31042672411474
  C   0.91567803530305      1.69113295967724     -0.35441115657960
  H   1.44408048901493      1.83271195479678      0.59136653125676
  H   1.63459628939469      1.65657068074645     -1.17143664345516
  H   0.24280768704961      2.53894834172519     -0.51319458452251
  Ge  2.12705928636729     -2.24226383536863     -2.79690761121575
  Br  -0.70298484344389     -0.09852167194407     -2.68154536955926
  C   3.03943504004644     -0.26137263050882     -3.41803048160596
  H   3.30047413911658     -0.16421211277461     -4.46802499785508
  H   2.03169103392810      0.13525613082242     -3.27267541386124
  H   3.70212173800356      0.30689189249745     -2.77289849976254
  H   4.47184115736665     -3.92924717131950     -2.49687924660881
  C   4.04233071413788     -2.97116262970279     -2.73442354968542
  C   4.43607416438902     -1.83708000839079     -3.13382812903445
  H   5.22707165103327     -1.17158643295173     -3.41846660531627
>
16
11’  (Ge-methyl-Ge’-(1-propenyl)-di(mu2-bromo)digermylene)
  Ge  -0.53995400616627      0.06243466892485     -0.11489203802160
  Br  1.15493641013298     -1.95213795257077     -0.47865003769648
  C   0.63299521609683      0.95951684069913      1.23922597791469
  H   0.51917925555179      0.43800046485473      2.19353987651974
  H   1.68270718704342      0.96280396300086      0.95137459260580
  H   0.28811211310952      1.99031841807783      1.36015570646868
  Ge  1.37287631431936     -1.12402151893159     -2.98633059355040
  Br  0.61990983128481      1.29196541298819     -2.14480551490713
  C   3.95006945118034     -1.42584989502690     -5.08733075747756
  H   4.51356989953347     -2.34800138297097     -5.25696867823742
  H   2.89509797850813     -1.63430627866291     -5.27600502057907
  H   4.29109195483217     -0.70696507632128     -5.83780079159762
  H   3.63505079778570     -0.30701329430009     -1.79181574174814
  C   3.29718909424064     -0.70168508789581     -2.74561763616662
  C   4.20403352839488     -0.90038972632041     -3.70790581909309
  H   5.24798866415235     -0.66347855554488     -3.50228640443377
>
16
TS(1’->8’)
  Ge  0.27106072123653      0.60559168678787     -0.20696106162514
  Br  1.04087755843393      0.49626993054119      2.06152167753555
  C   1.35211862379600     -0.77941947651838     -1.11358840848795
  H   1.30357947780178     -1.72133179916807     -0.56903470536757
  H   0.98765025875873     -0.91549614629832     -2.13176332967011
  H   2.38763385369873     -0.43595135397576     -1.13758915027262
  Ge  -0.85378838609722      2.50815093524690     -1.46918793984416
  Br  -2.28134251683137      3.30727107094217      0.34578206549410
  C   0.47156389182247      4.00901698787285     -1.49559907300371
  H   1.30131262898415      3.74601013349277     -2.15544490503204
  H   -0.01300680391875      4.90913315383877     -1.87611068145007
  H   0.84718508511753      4.20892039944511     -0.49189393097120
  C   -1.66478747780224     -0.55239875072142     -0.09946845842999
  C   -2.34436842166543     -0.15350313446306     -1.03831270291233
  H   -1.54531486743185     -1.22219392503910      0.73176274919799
  H   -2.91972216590301      0.22102415801649     -1.85351111516077
>
16
8’  (cis-1,2-dibromo-1,2-dimethyl-digermacyclobut-3-ene)
  Ge  0.29794321009601      0.19728424214089      0.09208181877000
  Br  0.31437335986019     -0.16247651686855      2.42359332901096
  C   1.89811629864919     -0.69571482045864     -0.59967659793301
  H   1.84456602589999     -1.75786612442358     -0.36173160361301
  H   1.94591866958050     -0.56375572119587     -1.68091429779566
  H   2.78501452290557     -0.26615209198852     -0.13690234971100
  Ge  -0.71450985857405      2.33494905879363     -0.59522125867742
  Br  -1.49301115758679      3.69189752384497      1.17405400172094
  C   -0.11183552467021      3.57091178518224     -1.98932146722533
  H   0.26155198218406      2.99953599270457     -2.83954908811994
  H   -0.94894112095833      4.19325172451940     -2.30434804934651
  H   0.68065244344815      4.20452240731482     -1.59463005188446
  C   -1.46753876615875     -0.24104157722835     -0.68493685346845
  C   -2.02079717673544      0.92283703535205     -1.05462349379555
  H   -1.93570012425463     -1.21202317709786     -0.82100614070283
  H   -2.99515132368547      1.01493412940880     -1.52626686722872
>
16
TS(8’->2’+4’)
  Ge  -0.18535470032088     -0.16508498126267     -0.29221273426547
  Br  0.79118053942647      0.70511831778079      1.68374271872874
  C   1.20925688831994     -0.41297067782791     -1.62659813175473
  H   1.91037784793108     -1.16810745947380     -1.27757199920639
  H   0.73375634446850     -0.73638570130628     -2.55133588652415
  H   1.72813503385827      0.53064369440199     -1.77962868083724
  Ge  -0.57272310982619      3.63632067321628      0.41279364087549
  Br  -2.36598082245934      3.88885125159150     -1.20855608757278
  C   0.89041812515845      3.45088397729911     -0.94735514944523
  H   1.81149743973604      3.10817564724393     -0.47439711581285
  H   0.60971053306504      2.78489202828179     -1.76347199587243
  H   1.05443419760095      4.44665002635151     -1.37220412082497
  C   -1.86273703942501     -1.03752602389755     -0.11359317394229
  C   -2.03423327207378      0.21577077274585     -0.53472208468685
  H   -2.50743415458615     -1.87369140847349      0.13010382853251
  H   -2.86965239087339      0.85755373332896     -0.78439199739137
>
16
TS(10’+C2H2->2’+4’)
  Ge  0.10921463852982     -0.10110067994353      0.07834974733194
  Br  2.73390491429451     -1.14225738032859     -0.25339196530113
  C   0.75376277711867      1.74306492627000     -0.40579164736386
  H   1.36043592833510      2.13925100606379      0.41191949983887
  H   1.32720981538316      1.76907544756515     -1.33083308181825
  H   -0.13126865217331      2.37557038337297     -0.52422284388177
  Ge  2.63111176952480     -1.63229435359356     -2.66850459615072
  Br  -0.59774754727722     -0.71965051325879     -2.22450274797594
  C   2.94064582718405      0.13134149330700     -3.50995493889111
  H   3.64799494341697      0.71303868165259     -2.92651409911802
  H   3.32485546055820     -0.04244424947441     -4.51406485627641
  H   1.97390047685648      0.62684718724535     -3.55441011519053
  H   3.49151825128377     -4.24144316264899     -3.19953328416690
  C   3.79799859434995     -3.22619565234119     -3.00835376947618
  C   4.67401778337586     -2.33378887349548     -2.81092236350311
  H   5.72729870923917     -2.11782326039228     -2.74538181805695
>
12
12’  (trans-Me(Br)Si=Si(Br)Me)
  Si  0.09995630493757     -0.01590831177454     -0.02190029748231
  Br  -0.06449474571262     -0.16454539577869      2.23668532407720
  C   1.91645531888195     -0.06731489503981     -0.48129670921735
  H   2.48910903319249      0.67873359954956      0.07081012890256
  H   2.32326176643277     -1.05501303080688     -0.25632932138593
  H   2.01896297939344      0.11855186604142     -1.55240795858329
  Si  -1.16448604719607      1.66078438467301     -0.80804240525442
  Br  -0.99959632058904      1.80950162529902     -3.06659882481354
  C   -2.98106491816980      1.71196643706964     -0.34890981875230
  H   -3.08365680517244      1.52625139818581      0.72221869411144
  H   -3.38804831542226      2.69954619168876     -0.57406989257821
  H   -3.55350001057598      0.96570852089269     -0.90096531902386
>
6
13’  (Me(Br)Si,  bromo-methyl-silylene)
  Si  -0.22073150273747     -2.27248398234275      2.58828914157141
  Br  -0.68593427877781     -3.06531166218396      0.47855853299204
  C   1.62391171717838     -2.68431816130338      2.65514922577991
  H   2.05177916632235     -2.35467027411849      3.60531710445190
  H   1.77691137551807     -3.76413358900709      2.55391253855769
  H   2.16271271854180     -2.20174185346180      1.83359978320503
>
10
15’  ((1-propenyl)bromosilylene)
  Si  -0.40303636467814      0.34898397472288      0.65811583548837
  C   2.41462773891763      1.77344578740869     -0.19955413677028
  H   1.70144113572889      2.14732310943267      0.53473949105431
  H   3.38438973375086      1.64723330056982      0.29130894945809
  H   2.55566995952090      2.53899484562855     -0.96844513508383
  Br  -1.92320731934345     -1.35872461061642      0.36372720576307
  H   2.69397354581935      0.10477567286409     -1.57136812897416
  C   1.99176069213115      0.48831015761678     -0.83157986877212
  C   0.86830488253053     -0.21509028350786     -0.58640646902286
  H   0.72813220641758     -1.13388780999382     -1.14983275707992
>
10
14’  (1-bromo-1-methylsilirene)
  Si  0.29562096421494      0.68283144768090     -0.05657060822887
  Br  0.07927054279050      0.40683588047854      2.17061608484508
  C   1.84247465092921     -0.19290537540885     -0.59221903264579
  H   2.71092054282185      0.21903268048968     -0.07587329827707
  H   1.77767931998431     -1.25641176799622     -0.35690756227445
  H   1.97446767118248     -0.07151075782550     -1.66847165993411
  H   -2.09543481568415      0.76176396989371     -1.55904375104364
  C   -1.16756169490496      0.98529321007165     -1.04770116177179
  C   -0.45811810835581      2.10763568064568     -0.84065162395947
  H   -0.58853192902371      3.14591914438784     -1.11895715326778
>
16
18’  (zwitterionic Si=Si acetylene adduct)
  Si  0.42497338800224      0.58768559319969     -0.99812105020691
  Br  2.12111003720057      0.10009850983800      0.42310539874090
  C   0.37842877742653     -0.74573859592850     -2.29846577341056
  H   0.26797247460079     -1.73535370119118     -1.85460873550011
  H   -0.45975467378744     -0.56146542271270     -2.97389650005717
  H   1.30417186217909     -0.72127313523316     -2.87563182039927
  Si  0.49057773085676      2.82314827913115     -1.67317739002513
  Br  -1.71532421021267      2.85878164186058     -2.48233804007813
  C   0.30688739515307      3.83300914514130     -0.06984471131783
  H   1.19663047791573      3.69223081246437      0.54941241141480
  H   0.23347560599411      4.89348982503101     -0.32141568121331
  H   -0.57680912386692      3.55889823480071      0.50951975646609
  C   -1.38884161789401      0.45728933470010      0.02637789633847
  C   -1.25267066630109     -0.58425632276245      0.67070816625158
  H   -2.05899544515101      1.24233227782687     -0.30566072201019
  H   -0.93118055211576     -1.46778260616571      1.17463782500681
>
16
TS(18’->17’)
  Si  0.11017151311859      0.57864689194680     -0.36446416862261
  Br  1.28426954655936      0.37289570805330      1.61362754920282
  C   0.97413141551917     -0.64386562348884     -1.48781620763446
  H   1.02833893680823     -1.62907681767474     -1.02286531184630
  H   0.48645026018433     -0.72159243459966     -2.45901836291495
  H   1.99525013961245     -0.28732118088873     -1.64434395821458
  Si  -0.53841461473919      2.56229380641643     -1.48178713869625
  Br  -2.41769095493574      3.24514524579789     -0.28423873402152
  C   0.71034436856821      3.92279992813899     -1.04334677550809
  H   1.69866024160375      3.65110741410822     -1.42524653245439
  H   0.41195157223957      4.86116557788265     -1.51736286319240
  H   0.78154965908282      4.09211175759310      0.03284964955137
  C   -1.73368691677493     -0.09183431920364      0.13734030708761
  C   -2.10862894024095     -0.69784960097143     -0.87525919001367
  H   -2.03450571152578      0.17325333468522      1.14048672328568
  H   -2.30753905507989     -1.15678581779546     -1.81795395600821
>
16
17’  (1,2-dibromo-1,2-dimethyl-disilacyclobut-3-ene)
  Si  0.24161917962753      0.24865329220323      0.10222566082654
  Br  0.31962401832589     -0.12023359607425      2.33147196238078
  C   1.76986671868253     -0.52514563427887     -0.63638034426992
  H   1.78344452140215     -1.59984479877037     -0.44360020574750
  H   1.78367549127480     -0.36246789707434     -1.71647245365508
  H   2.67016441673036     -0.08663971379861     -0.20325150590206
  Si  -0.71497653517289      2.27032399268602     -0.56131952315198
  Br  -1.47184711485968      3.60187278836464      1.10374159173885
  C   -0.05947900313054      3.38695123843256     -1.90341791517206
  H   0.32508111773069      2.78631395899274     -2.73080497575283
  H   -0.84963680473173      4.03918967092183     -2.28045700176147
  H   0.74749981865187      4.01208729038718     -1.51805116902467
  C   -1.41518648434610     -0.21683249018947     -0.65338696647548
  C   -1.96621018647981      0.95419433785842     -1.04457008809972
  H   -1.89202375782024     -1.18261417626078     -0.80371248885935
  H   -2.93096393588484      1.02528560660008     -1.54141354707403
>
12
TS(12’->19’)
  Si  0.13575595956195      0.56195609049577      0.02706533772498
  Br  -0.30372446834808     -0.63148070518585      1.87655978637178
  C   1.85800896411834      0.10357104293069     -0.49965404140857
  H   2.54272794584655      0.18680224731059      0.34711131268855
  H   1.87074087938013     -0.93334211503714     -0.84496250766915
  H   2.18523838582926      0.75101721655493     -1.31332872944303
  Si  -1.15140665153799      2.27564657017451     -0.89470973853667
  Br  -0.87524223090961      0.79216394305415     -2.83337382824522
  C   -2.89713133842992      1.74478577757855     -0.30649399527804
  H   -2.97337187248220      1.93908134157107      0.76775113807943
  H   -3.63164468814268      2.37626327859990     -0.81153654504635
  H   -3.14705264488577      0.70179770195281     -0.49523458923772
>
12
19’  (2-bromo-1,2-dimethyl-bromodisilirane)
  Si  0.03915398917980      0.44980363137267     -0.37735294765054
  Br  -0.73450652608269     -1.09607396310248      1.07583178445608
  C   1.88531064916341      0.23036987117171     -0.48323065256527
  H   2.33187974630087      0.46510803793270      0.48556147520412
  H   2.14238201163483     -0.79601675439003     -0.74706070113130
  H   2.29199940790979      0.90911429209236     -1.23482064141417
  Si  -1.16878067259376      2.37396464639105     -0.98736938511068
  Br  -0.82750114258130     -0.07859353164750     -2.49389987534866
  C   -2.83802679507624      1.89654907531551     -0.19926007520493
  H   -2.79459672014825      2.27280181455305      0.83210997659585
  H   -3.65812011815077      2.41129903562770     -0.70305688915197
  H   -3.05629558955569      0.82993623468323     -0.14825846867855
>
12
TS(12’->20’)
  Si  0.29147813638746     -0.79334362944518     -0.46245847923763
  Br  0.42001027527075     -0.13226707459395      2.88544888607341
  C   1.90320993202887      0.18915623795906     -0.45617852990184
  H   2.57441156188269     -0.01005771510558      0.37715952044351
  H   2.41917686688876     -0.08805581252333     -1.38685825550371
  H   1.68109219234159      1.25858455452953     -0.50538309345647
  Si  -0.75036837396201     -2.00590564152332      2.06291528777690
  Br  1.23267706596118     -2.88315628378571      0.27676573427333
  C   -0.21529655028631     -3.28546458284727      3.35890765785555
  H   -0.79957314672772     -3.06848657206459      4.26020300010611
  H   -0.47060645191959     -4.29186476853196      3.01959538110690
  H   0.84260927213430     -3.23850633206768      3.61406462046401
>
12
20’ (dimethyl-di(mu2-bromo)disilylene)
  Si  0.10076408831599      0.09055614989225     -0.09065755763533
  Br  -0.49684208336231      0.13161363418749      2.39640216559958
  C   1.93608336065532     -0.28773991241261      0.20292760449796
  H   2.42131976992252      0.63657661710476      0.53533721518041
  H   2.14450415517701     -1.07079660048630      0.93058603577905
  H   2.38012797326393     -0.57410356057503     -0.75669554212880
  Si  -1.25514636863346     -2.30909970381678      2.23008902609149
  Br  -0.59467868719071     -2.36925415643980     -0.24218308733968
  C   0.38975142954559     -3.02291398989344      2.84809576762979
  H   0.42873615958569     -2.88532097868618      3.93426627621101
  H   0.38657532775309     -4.09966469692988      2.64605391548695
  H   1.28762565496733     -2.58922042194449      2.40995991062759
>
16
TS(20’+C2H2->13’+15’)
  Si  -0.04411494693943      0.82021133682843     -0.06368924345754
  Br  0.22096172768495     -0.29504630436331      3.39228413074896
  C   2.06198941574345      0.65937095163519      0.24361658467369
  H   2.56440740616898      1.61415762063445      0.37676963249016
  H   1.81764006330632      0.26561975525119      1.23603195158591
  H   2.71857979675993     -0.07955036171123     -0.20927429938668
  Si  -0.29655199760480     -2.42131318814170      2.45644420020449
  Br  -0.41898162934562     -1.61236212038884     -0.17808182767236
  C   1.49923934461338     -3.01748394586092      2.22013983464539
  H   1.87247406836776     -3.30404712348833      3.21027792577561
  H   1.50748981610762     -3.90894739406814      1.58630515759663
  H   2.18033890362888     -2.27578436929628      1.80283271920080
  H   2.48089637821230      1.05543569130387     -2.05907346746999
  C   1.46801312757986      1.02590236118448     -1.70764501480792
  C   0.22042463745765      1.08018352402696     -1.94136933751474
  H   -0.41559190174125      1.24357090645420     -2.79499107661245
>
16
TS(20’->13’+13’)
  Si  0.34082016308006      0.41662150755747      0.10250369677840
  Br  0.25116147803542      0.93146043500857      2.38160342852556
  C   1.98391027265343     -0.54684075409915      0.09813332399228
  H   2.78055896481916      0.20657345375096      0.13059976916377
  H   2.13661106582429     -1.22280622185250      0.93906046882650
  H   2.08757791792930     -1.10097106365180     -0.83872294551012
  Si  -0.54995926377484     -3.84620769429396      1.47169116725489
  Br  -1.19224613677188     -2.01752833753733      0.15482774092110
  C   0.22990367429887     -2.93019901276844      2.91276703440337
  H   0.77580193746932     -3.63587088148831      3.54414927252907
  H   0.87593761219617     -2.09559576108451      2.63990745088885
  H   -0.59125690575932     -2.50800328954104      3.50766132222632
>
16
TS(20’+C2H2->13’+14’)
  Si  -0.38265927560764     -0.24057188300738     -0.48006355312636
  Br  -0.51625903291918      0.02348096109409      1.90395050015790
  C   1.50187200472674     -0.32080721875621     -0.74319744218752
  H   2.09192970616518      0.28170210395917     -0.05585125197077
  H   1.78070096669383     -1.36836025652969     -0.61994734728919
  H   1.72695139708118     -0.02599132625663     -1.77080116222481
  Si  -0.15268153671514     -2.61513674581723      2.67567351788627
  Br  -0.25307534984560     -3.47831782854824      0.46524898662626
  C   1.73683113331186     -2.38605549540472      2.75123964164727
  H   1.99827504900096     -1.77745579407727      3.62170082804476
  H   2.16996020007283     -3.38305650039786      2.89534685288075
  H   2.18564273880792     -1.94886627993426      1.85975163972270
  H   -2.14369641091160      1.51959297168845     -1.63361664011192
  C   -1.17645034805296      1.48988330120046     -1.16599272066009
  C   -0.16119576649507      2.05230839260332     -0.73655135851545
  H   0.67329086468667      2.62347618818396     -0.39784393087981
>
10
21’  (Si-methyl-Si’-(1-propenyl)-di(mu2-bromo)disilylene)
  Si  -0.40303636467814      0.34898397472288      0.65811583548837
  C   2.41462773891763      1.77344578740869     -0.19955413677028
  H   1.70144113572889      2.14732310943267      0.53473949105431
  H   3.38438973375086      1.64723330056982      0.29130894945809
  H   2.55566995952090      2.53899484562855     -0.96844513508383
  Br  -1.92320731934345     -1.35872461061642      0.36372720576307
  H   2.69397354581935      0.10477567286409     -1.57136812897416
  C   1.99176069213115      0.48831015761678     -0.83157986877212
  C   0.86830488253053     -0.21509028350786     -0.58640646902286
  H   0.72813220641758     -1.13388780999382     -1.14983275707992
>
22
2’’  (MesGeBr)
  Ge  -0.22583493919013     -0.15240926136709      0.35615406988422
  Br  1.81989506964952      0.27693471718432     -0.84230772697001
  C   -1.10167440465981      1.61884138661630      0.10592561619793
  C   -0.78641734921156      2.69187013170169      0.94952105667948
  C   -1.54437856585772      3.85958554270663      0.88006490567263
  C   -2.60528914843450      3.98797846282316     -0.01309329389473
  C   -2.89256517904539      2.91729334971500     -0.86031646176640
  C   -2.15653444200670      1.73841665304778     -0.81264486534988
  H   -1.30702186298395      4.68509214870005      1.54265995456323
  H   -3.71114451427852      3.00356041700133     -1.56756235031344
  C   0.37819432628081      2.60125325518399      1.90236357806574
  H   0.42558421216239      1.62716254919335      2.40309225573516
  H   1.32426380934558      2.73202069398171      1.37134161606086
  H   0.31957124756310      3.36142214808417      2.68145158941343
  C   -3.43625476368012      5.24147018359698     -0.05832502102489
  H   -3.48133592159557      5.64911230097488     -1.07078724346497
  H   -4.46441607184731      5.03903831049427      0.25362350932203
  H   -3.03109675986538      6.00995417644832      0.59999770384881
  C   -2.45788180397657      0.61269967513588     -1.76857379863899
  H   -1.71604415693780      0.57305004979608     -2.57088333522961
  H   -2.44416252483686     -0.36289084097805     -1.26659813741792
  H   -3.44000970659351      0.72430516995927     -2.22813039137268
>
26
2’’_C2H2  (van der Waals complex)
  Ge  0.26912604059194      0.02008042666850     -0.36761793321166
  Br  2.61764439794448      0.01294200379713      0.30440648768881
  C   -0.32254561084550      1.92153857603947     -0.00381622880154
  C   0.02502137781809      2.76197295279076      1.07266220249687
  C   -0.54503839336026      4.03358827806943      1.16349272206639
  C   -1.44067429955078      4.51508933970302      0.21674131397871
  C   -1.77466548107469      3.68071684997555     -0.84726393454649
  C   -1.24239408197291      2.40177438215402     -0.96698020170876
  H   -0.27732142368499      4.66589284567629      2.00315252806706
  H   -2.47423519114388      4.03270303070495     -1.59810852156207
  C   1.00142126720822      2.36906314297096      2.15066548542589
  H   0.90774454054730      1.32557710810092      2.44378001725778
  H   2.02871876461463      2.50255107028436      1.80826014937841
  H   0.85894029312825      2.99008119102732      3.03573209328266
  C   -2.04344462770901      5.88764913579028      0.33533396653525
  H   -1.82172213033740      6.49077830574005     -0.54844526425491
  H   -3.13167017839177      5.83067734911393      0.42091631878173
  H   -1.66210198085891      6.41442846821208      1.21010436554717
  C   -1.68142046518999      1.56402791819493     -2.14984086609073
  H   -0.84323428388119      1.28915378979909     -2.79498622791472
  H   -2.16907371266995      0.63705605373335     -1.83782366538461
  H   -2.39339162255052      2.11719996139626     -2.76220918875589
  C   -0.67222878732883     -1.34336161599162      1.93552847244623
  C   -1.19075427728136     -0.29660308544493      2.21992853097520
  H   -0.23506236395760     -2.29531930318766      1.74328299057477
  H   -1.64588807006336      0.63739446468156      2.45078469772845
>
26
TS(2'’+C2H2->3'’, path A)
  Ge  0.66978605898996      0.11112487884014     -0.41333091537071
  Br  2.80998369365119     -0.10313169219448      0.79799531395009
  C   -0.36940659046718      1.88444752661959      0.21606878573665
  C   0.05739168987985      2.81356403075251      1.18578506560843
  C   -0.47959586717037      4.10026518300600      1.17486266502404
  C   -1.43751517102542      4.50126861130902      0.24876183536047
  C   -1.87198341224555      3.56283107127879     -0.68305115081747
  C   -1.36018291969318      2.26955789419060     -0.71524760855925
  H   -0.14857675350750      4.80607986805744      1.92926482283460
  H   -2.63485771713359      3.84129108662498     -1.40203159905728
  C   1.04332748310450      2.46948595829307      2.26837473798471
  H   0.88519439537167      1.46540314282911      2.66121146909598
  H   2.06931621004358      2.49478373818113      1.89728175185000
  H   0.96417955806735      3.17925146166710      3.09214620610699
  C   -1.98045378682784      5.90342830490356      0.25021905450220
  H   -1.34642796373966      6.56536068881789     -0.34739252935942
  H   -2.98434226659278      5.94082027452652     -0.17471119751170
  H   -2.01770509013590      6.31399493458593      1.26039807152795
  C   -1.88692734750381      1.30675996437799     -1.74342077829235
  H   -1.08848278149243      0.95950285891420     -2.40926168218225
  H   -2.32006917101439      0.41674986976211     -1.28067377530877
  H   -2.65411981136128      1.77456527588086     -2.35952327314323
  C   -0.58309706821033     -1.02138643634746      0.85696562263697
  C   -1.03225989547453      0.03587750190933      1.35190431484182
  H   -0.59880768149103     -2.09256193860562      0.94351081375534
  H   -1.56261809402131      0.66731858181953      2.03157428878621
>
26
3’’  (Mes-vinylgermylene)
  Ge  0.37354291774313     -0.25591908605076     -0.64632663487199
  Br  2.75512709978355     -0.59457478957658     -0.33138704676218
  C   -0.67706888307731      2.30337365653763      0.16559656956971
  C   0.44714677696425      3.03557400455633     -0.26466884054870
  C   0.35906979265626      3.76971284696817     -1.44859525872293
  C   -0.80793488974882      3.81539702033394     -2.20114586841701
  C   -1.92189442831417      3.11341546994370     -1.73762455966260
  C   -1.87992192697983      2.36564534870376     -0.56855734815702
  H   1.22727713370735      4.32620174988225     -1.78204747548025
  H   -2.84413656567919      3.14514563293292     -2.30727227101045
  C   1.71147431334192      3.08809114507398      0.55231697530835
  H   1.50772984246842      3.46680807490498      1.55684633830346
  H   2.16851247800690      2.10557209442927      0.67095884659799
  H   2.44163202725078      3.74565289225882      0.08208185505218
  C   -0.87674224757401      4.60031740515678     -3.48233224797574
  H   -1.05672973251764      3.94028569329145     -4.33473423705162
  H   -1.69457017720814      5.32423266487565     -3.45646351332372
  H   0.05153303329303      5.14116875995560     -3.66524731298690
  C   -3.09071602415895      1.60008777701547     -0.11000130648114
  H   -3.95881574259215      1.84327717233147     -0.72153295527543
  H   -2.92327022557073      0.52168491188868     -0.17045586410902
  H   -3.32964966977079      1.82066946345931      0.93298914619131
  C   -0.05120918732606      0.21144324920337      1.24522101864573
  C   -0.58368528198985      1.42800182386297      1.37170144846316
  H   0.07895014340937     -0.44545628787732      2.10071485682588
  H   -0.93911078611729      1.81757709593814      2.32541016587894
>
26
TS(2'’+C2H2->4'’, path B)
  Ge  0.19363667778454      0.15903632431015      0.51455803178488
  Br  1.93335828911979      0.13080242147004     -1.14467858773998
  C   -1.06311428793626      1.66772159951869      0.17424784747225
  C   -1.52551423288779      2.30633582634985      1.34134976321542
  C   -2.38101059213519      3.39869150263419      1.22428244383274
  C   -2.78730406816705      3.88264252655193     -0.01568481597324
  C   -2.32172578691977      3.23437021197313     -1.15282579390457
  C   -1.46269911172903      2.13454926094154     -1.08849604565466
  H   -2.73889388510978      3.88185944997572      2.12675372159078
  H   -2.63811537252686      3.58748221322910     -2.12809397274853
  C   -1.14171635433695      1.84077706879610      2.72442493525446
  H   -1.53216089588478      0.84294429305626      2.93930386093601
  H   -0.05677921857039      1.79410661661750      2.84755718388034
  H   -1.53574953529343      2.52036552810118      3.47959673618413
  C   -3.68535929165096      5.08499666706292     -0.11691019105127
  H   -4.17119032835256      5.13687160753250     -1.09162377497456
  H   -4.45817073297510      5.06835301870508      0.65365998685311
  H   -3.11301145564639      6.00739689288572      0.01766985526296
  C   -1.01549541561094      1.51982750821668     -2.38565272430216
  H   -0.00551024242363      1.84118618592845     -2.64602238742241
  H   -0.98961435011754      0.43270402037807     -2.33303640914720
  H   -1.68309781601809      1.81485482888917     -3.19519795859662
  C   -0.63876973179222     -1.69633911187626      0.69664706164364
  C   -1.21955592983117     -1.32577185984219     -0.35137263440930
  H   -0.39865591785037     -2.42027206783480      1.45586841944873
  H   -1.89659774313811     -1.47994335357071     -1.16960616143494
>
26
4’’  (1-bromo-1-mesityl-1H-germirene)
  Ge  -0.19166751095316      0.03491198145112      0.11836714613351
  Br  2.07857190059030      0.68512817572005      0.12301968668848
  C   -1.27583570114584      1.64417945388814      0.06541952540809
  C   -1.53049894469397      2.33513433671113      1.25705048707973
  C   -2.27363194323590      3.51345266237631      1.19757512209933
  C   -2.75626329032245      4.01511016365265     -0.00682636264207
  C   -2.48631280493458      3.30637231556713     -1.17673532335621
  C   -1.74884177469503      2.12633187793952     -1.16530869902849
  H   -2.47139232637472      4.05526565185509      2.11534499214397
  H   -2.85141416068389      3.68756758117366     -2.12407768153186
  C   -1.01601677719711      1.84303765453190      2.58405988061827
  H   -1.44118061226413      0.86917749447921      2.83782613023290
  H   0.07090772005393      1.72970635893730      2.57150512271599
  H   -1.26927986115191      2.54000603525199      3.38196914396199
  C   -3.54407870399396      5.29548221838341     -0.05474914441924
  H   -3.07350330430902      6.01850090111448     -0.72523074154951
  H   -4.55569452448883      5.11982105717849     -0.42908550536234
  H   -3.62263705758583      5.74954512120987      0.93279395534114
  C   -1.46968394260626      1.40774307642374     -2.45902200860481
  H   -0.39604796322367      1.28321475807008     -2.62135600369866
  H   -1.91483313418455      0.41044860231919     -2.46437613553388
  H   -1.87344111237746      1.96254718120077     -3.30515696526006
  C   -0.60901959764923     -1.67575582800826      0.83736557854376
  C   -0.59484335184639     -1.71718341908642     -0.49658547738031
  H   -0.77382995946164     -2.39251470639230      1.63383582310752
  H   -0.74234859126469     -2.48168152594826     -1.25090415570723
>
22
13’’  (MesSiBr)
  Si  0.17109056087340      0.11711182830065      0.17944565859157
  Br  2.18864544711155      0.35995684574412     -0.91490538463885
  C   -0.39569409594127      1.91435894523360      0.14826805418496
  C   -0.05116429230935      2.78436436845906      1.19505726223074
  C   -0.57479033969648      4.07292999944720      1.21467421292597
  C   -1.42966428529326      4.52657042039642      0.21095228562945
  C   -1.76204830817722      3.65227295570173     -0.82311118709469
  C   -1.25676465280213      2.35698445987031     -0.86861326559748
  H   -0.31604172230720      4.73799061716269      2.03199933879701
  H   -2.43347789572551      3.98714484336041     -1.60692667045879
  C   0.90732179330662      2.33200121136856      2.26616646502623
  H   0.73547935274176      1.28662515388865      2.55129075798040
  H   1.94130736039882      2.40185826924094      1.91842678719572
  H   0.81557601269330      2.93317509481578      3.17099940671521
  C   -1.96155221797909      5.93352391238058      0.22999193767590
  H   -1.30795809657881      6.60086537748734     -0.33978828827536
  H   -2.95439889193971      5.98902795061267     -0.21847249343948
  H   -2.01958875036831      6.32262838412190      1.24722112331274
  C   -1.59169278043278      1.44456934983317     -2.02042344174914
  H   -0.79051377356627      1.44594975043916     -2.76442752177591
  H   -1.72153034519854      0.40565633046187     -1.69169104382664
  H   -2.51348000150680      1.74328759256792     -2.52009593474966
>
26
13’’_C2H2  (van der Waals complex)
  Si  -1.46316793761844     -0.03553729594224      0.39939885608614
  Br  -1.34969087224908     -1.52974642051575      2.15663722777009
  C   0.32313893228219     -0.12455585819237     -0.20108166507074
  C   1.26924182575329      0.79468102301099      0.27902803612653
  C   2.51826129107757      0.87336838918882     -0.32829884944394
  C   2.85849728571866      0.05040383257728     -1.40242014629487
  C   1.91330555616676     -0.86683500820864     -1.86004525654137
  C   0.65456117440842     -0.96459873714833     -1.27496040861185
  H   3.23892338428903      1.59939155625900      0.03328034298564
  H   2.15807556599385     -1.50642262172694     -2.70131644222919
  C   0.93106455039943      1.68110548670486      1.44858591174954
  H   -0.09926410831111      2.05429615686802      1.39014324650837
  H   1.01899808065013      1.13379736249965      2.39063656812982
  H   1.58694599040399      2.55024273047483      1.49974015447705
  C   4.21935616864133      0.13960435171674     -2.03712568541754
  H   4.94598094111243     -0.45874174294517     -1.47967746520069
  H   4.20417739096067     -0.23238605000967     -3.06205666621210
  H   4.58538944682498      1.16748871006544     -2.04810029148883
  C   -0.35050877053337     -1.96383514942136     -1.78287484864679
  H   -0.40937774046478     -2.83096177476489     -1.11988858026989
  H   -1.35705859413570     -1.52954463111090     -1.83624950280533
  H   -0.09885242823832     -2.31883600797448     -2.78218087694887
  C   -0.23685526810412      2.01506591334711     -2.60616098914042
  C   -1.38203864037507      2.32281431720360     -2.78000167522593
  H   0.77557560237467      1.73014895849182     -2.44017364314270
  H   -2.39903482702737      2.59593850955260     -2.93262735114209
>
26
TS(13’'+C2H2->15’', path A)
  Si  -0.00517013784308     -0.01575741684855     -0.01869040486767
  Br  0.01740295733583     -0.05730098103267      2.32322644876363
  C   1.83976190512342      0.00614555489590     -0.77230378173957
  C   3.04102168830017      0.14699625117787     -0.03936350805376
  C   4.23596001904898     -0.29666718593661     -0.60342501967278
  C   4.30716991220776     -0.84113160334567     -1.88083386808359
  C   3.12804581893920     -0.91199229178426     -2.61854151350475
  C   1.90800032601637     -0.49990829046149     -2.09725152499739
  H   5.14810114110028     -0.18992655696635     -0.02602594792581
  H   3.15614674367393     -1.30086275075171     -3.63052148085991
  C   3.11244043451837      0.79886673964454      1.31578993409648
  H   2.39469315266046      1.61161637409132      1.42001752226644
  H   2.89662428130823      0.09134949001414      2.11867097944175
  H   4.11197265603262      1.20116781409114      1.48362549179592
  C   5.60955032299652     -1.34132042791352     -2.44091021625066
  H   5.77041333009086     -2.38944340482782     -2.17051425716478
  H   5.62477599747433     -1.27961628323505     -3.52995752479844
  H   6.45448313231311     -0.77163733884627     -2.05080380473653
  C   0.67708304377299     -0.60109813970168     -2.94849166835700
  H   0.88982757832273     -1.10099932904306     -3.89281108206051
  H   -0.11032634174904     -1.16186855933697     -2.42776641312692
  H   0.25591381376806      0.38278112109936     -3.17066739386008
  C   -0.42404271263752      1.82438398103901     -0.46010470499438
  C   0.80689468479800      1.97903300792759     -0.68487311776960
  H   -1.34785799473069      2.37213758726156     -0.38189435889903
  H   1.69767126715813      2.54352434878926     -0.87060264464105
>
26
15’’ (Mes-vinylsilylene)
  Si  1.14490233762851     -0.21781100808530     -0.23816073000272
  Br  2.95198922520360     -1.20199112320642      0.81837648299813
  C   -0.70550917122373      2.25816606571453      0.06320544241584
  C   0.42800560877336      2.96100976631151     -0.38326761146987
  C   0.31543429464632      3.76551052426909     -1.52027750522822
  C   -0.87583125833542      3.89848827416106     -2.21761580029414
  C   -1.99981868193113      3.22119321048560     -1.73606567732958
  C   -1.93868041756852      2.41951990678546     -0.60807110305892
  H   1.18939544229919      4.31034609057180     -1.85905224625486
  H   -2.94433664505719      3.32061964712719     -2.25961541271532
  C   1.75437599070115      2.94703735785564      0.34290395446431
  H   1.64829925282396      2.68299996490541      1.39239872569738
  H   2.46290291909060      2.23957383605851     -0.10075322692104
  H   2.22161745216724      3.93027467758480      0.27420760180841
  C   -0.96660715536706      4.75044339416901     -3.45348752353622
  H   -1.20461599626398      4.14095156927572     -4.32918258705762
  H   -1.75556965367507      5.50028581703855     -3.35873343045726
  H   -0.02677997433041      5.26662961399120     -3.64875621903722
  C   -3.16440587954216      1.68919350061371     -0.13005632333163
  H   -4.02490587971748      1.92500107268248     -0.75494109101038
  H   -3.01407915235515      0.60722450357510     -0.14891622234421
  H   -3.41216354692484      1.95645575588593      0.90096442095726
  C   0.18967160391862      0.28936788726192      1.28715011895380
  C   -0.64896303027852      1.33854736253897      1.21481175943426
  H   0.20544350898483     -0.30368428195759      2.19847632876599
  H   -1.34323140366669      1.53803240438608      2.02990235455386
>
26
TS(13’’+C2H2->14’’, path B)
  Si  -1.48483427838901     -0.12565198907965     -0.29725597325860
  Br  -1.76530633619376      0.53841942695798      1.92724371274200
  C   0.40142267545327     -0.01028463676686     -0.63700841541699
  C   1.36356374210280      0.87567816502726     -0.09719651130477
  C   2.70373006183567      0.74423790433698     -0.45597190748669
  C   3.14614402933014     -0.23893287761112     -1.33422820890205
  C   2.19734702108074     -1.09950859961202     -1.87371007068317
  C   0.84690372295652     -1.00163205703754     -1.54874348210882
  H   3.42454556935615      1.44040109767335     -0.04049619260964
  H   2.51352541411763     -1.86291951880201     -2.57603092393808
  C   1.03121046660575      1.98876820172623      0.86363107488779
  H   0.06601049928022      2.44894791441195      0.66518942442522
  H   0.98871548762828      1.61720163535434      1.88891358011397
  H   1.79869603594627      2.76247289144229      0.82037813752557
  C   4.60372770033786     -0.37340693244759     -1.67654345661325
  H   5.11979431815146     -0.98517720981022     -0.93071136540076
  H   4.74126381297835     -0.85314876676691     -2.64626379446923
  H   5.09755256379531      0.59926670822863     -1.69760036999642
  C   -0.09543519096664     -1.98200276079980     -2.21699286674772
  H   -0.60999540823304     -2.61854291330654     -1.49409326484667
  H   -0.86573283612587     -1.47693659710228     -2.80325130839409
  H   0.46086363129058     -2.63277437630343     -2.89176758822108
  C   -1.34096998269403      2.33202611868358     -1.58564493856938
  C   -2.44844748387258      1.89024076885243     -1.38655102454550
  H   -0.34399204986179      2.66346757372289     -1.75302400646302
  H   -3.49465918591029      1.70613682902800     -1.30006025971851
>
26
14’’  (1-bromo-1-mesityl-1H-silirene)
  Si  -0.20307613012860      0.06679619670628      0.10855987141753
  Br  1.97113867815898      0.67163503138191      0.04662646775013
  C   -1.22543527366513      1.61149830424843      0.06016442299360
  C   -1.50109671457937      2.30452284346087      1.25121336545461
  C   -2.26158862334760      3.47079157446605      1.19839632251759
  C   -2.75058769156981      3.97100119201168     -0.00415680845573
  C   -2.46373087128972      3.27354252762359     -1.17690276248649
  C   -1.70876063397525      2.10575402268217     -1.16684694841230
  H   -2.46961958949212      4.00515016555999      2.11845238665259
  H   -2.83102082720549      3.65483368522679     -2.12355332442330
  C   -0.98499494634699      1.81385102736432      2.57935313551220
  H   -1.43774460781097      0.85755938764290      2.85202183588144
  H   0.09748713050700      1.66446388746570      2.55691212118931
  H   -1.20489896836201      2.52873466481450      3.37150829576219
  C   -3.56174192009950      5.23686701441233     -0.04687905715119
  H   -3.09982631122926      5.97516993952640     -0.70675656941817
  H   -4.56686164022439      5.04580876240230     -0.43117841663336
  H   -3.65702045211528      5.67998650769075      0.94425107530515
  C   -1.41668754305416      1.39814800279361     -2.46497314558232
  H   -0.34351918092520      1.24413018159945     -2.60410093128843
  H   -1.88930123800939      0.41381982670730     -2.49596021482003
  H   -1.78312121999302      1.97533223108866     -3.31334575646422
  C   -0.65017720755608     -1.49866791096937      0.85871140863633
  C   -0.67148530896983     -1.55812947041417     -0.48285495394870
  H   -0.83715315139187     -2.21017489970837      1.65325610028486
  H   -0.88199308732495     -2.33687551578409     -1.20519953027328
>
158
compound_1_digermene
 C     0.257588    -0.686894    -2.653106
 C     0.051964     0.239300    -3.706805
 C     0.658181     0.006561    -4.956224
 H     0.471545     0.719375    -5.754159
 C     1.481304    -1.101840    -5.185341
 C     1.692979    -1.989463    -4.117801
 H     2.338829    -2.855410    -4.258014
 C     1.096979    -1.813641    -2.857830
 C    -0.822334     1.465107    -3.546546
 H    -1.005454     1.630484    -2.461281
 C     1.410239    -2.813549    -1.774032
 H     0.844949    -2.537786    -0.866386
 C    -3.369854    -0.177597    -3.149580
 H    -3.464067     0.176214    -2.110779
 H    -2.792839    -1.113645    -3.130859
 H    -4.383374    -0.426361    -3.498836
 C    -3.619873     2.662825    -4.321090
 H    -4.633983     2.407096    -4.664295
 H    -3.222485     3.419546    -5.011810
 H    -3.712517     3.126099    -3.330342
 C    -2.420518     0.396021    -6.009846
 H    -1.873031    -0.556156    -6.012258
 H    -1.908983     1.081575    -6.700052
 H    -3.426272     0.207680    -6.414978
 C    -0.709865     4.497249    -3.101485
 H    -0.183615     5.438642    -3.319448
 H    -0.612687     4.310416    -2.023939
 H    -1.774502     4.652665    -3.321403
 C    -0.181492     3.451053    -5.936207
 H    -1.238172     3.478631    -6.236873
 H     0.330026     2.724064    -6.582960
 H     0.247611     4.439594    -6.161365
 C     1.878115     2.958006    -3.696703
 H     2.387375     3.909845    -3.910491
 H     2.371777     2.170722    -4.282818
 H     2.032058     2.724106    -2.633585
 C     4.482262    -3.611620    -2.201339
 H     4.390193    -3.460814    -3.286251
 H     4.410026    -4.689081    -2.003717
 H     5.495874    -3.290713    -1.915327
 C     3.320252    -3.102289     0.595441
 H     4.335178    -2.956643     0.993748
 H     3.041022    -4.152084     0.762257
 H     2.637140    -2.480025     1.191291
 C     3.696468    -0.785442    -1.389932
 H     4.690861    -0.600548    -0.955892
 H     2.985077    -0.121531    -0.881130
 H     3.726642    -0.478455    -2.445104
 C     1.894374    -5.611137    -3.243664
 H     1.347092    -6.499780    -3.594964
 H     2.749491    -5.966315    -2.653631
 H     2.289581    -5.103215    -4.134751
 C     0.304193    -5.460096    -0.643009
 H    -0.429822    -4.903388    -0.044618
 H     1.195324    -5.622376    -0.019389
 H    -0.125709    -6.448114    -0.865862
 C    -0.844733    -4.286605    -3.270104
 H    -1.350732    -5.247752    -3.446828
 H    -0.601780    -3.849151    -4.249138
 H    -1.554240    -3.615810    -2.767749
 C     2.147917    -1.371852    -6.540470
 C     1.820122    -0.282229    -7.581310
 H     0.740038    -0.217253    -7.772731
 H     2.316177    -0.520969    -8.531973
 H     2.175303     0.705716    -7.255831
 C     1.651221    -2.736358    -7.081531
 H     1.891409    -3.553687    -6.388711
 H     2.126400    -2.957426    -8.048083
 H     0.562206    -2.723633    -7.225724
 C     3.684994    -1.421762    -6.349837
 H     4.058031    -0.467785    -5.952941
 H     4.179687    -1.614841    -7.312523
 H     3.978409    -2.216903    -5.651909
Ge    -0.660190    -0.263281    -0.964926
Br    -1.815961    -2.237895    -0.231584
Si     3.220502    -2.601219    -1.220809
Si     0.038555     3.078283    -4.092456
Si     0.713271    -4.530568    -2.232611
Si    -2.552689     1.106069    -4.266350
 C    -0.257588     0.686894     2.653106
 C    -0.051964    -0.239300     3.706805
 C    -0.658181    -0.006561     4.956224
 H    -0.471545    -0.719375     5.754159
 C    -1.481304     1.101840     5.185341
 C    -1.692979     1.989463     4.117801
 H    -2.338829     2.855410     4.258014
 C    -1.096979     1.813641     2.857830
 C     0.822334    -1.465107     3.546546
 H     1.005454    -1.630484     2.461281
 C    -1.410239     2.813549     1.774032
 H    -0.844949     2.537786     0.866386
 C     3.369854     0.177597     3.149580
 H     3.464067    -0.176214     2.110779
 H     2.792839     1.113645     3.130859
 H     4.383374     0.426361     3.498836
 C     3.619873    -2.662825     4.321090
 H     4.633983    -2.407096     4.664295
 H     3.222485    -3.419546     5.011810
 H     3.712517    -3.126099     3.330342
 C     2.420518    -0.396021     6.009846
 H     1.873031     0.556156     6.012258
 H     1.908983    -1.081575     6.700052
 H     3.426272    -0.207680     6.414978
 C     0.709865    -4.497249     3.101485
 H     0.183615    -5.438642     3.319448
 H     0.612687    -4.310416     2.023939
 H     1.774502    -4.652665     3.321403
 C     0.181492    -3.451053     5.936207
 H     1.238172    -3.478631     6.236873
 H    -0.330026    -2.724064     6.582960
 H    -0.247611    -4.439594     6.161365
 C    -1.878115    -2.958006     3.696703
 H    -2.387375    -3.909845     3.910491
 H    -2.371777    -2.170722     4.282818
 H    -2.032058    -2.724106     2.633585
 C    -4.482262     3.611620     2.201339
 H    -4.390193     3.460814     3.286251
 H    -4.410026     4.689081     2.003717
 H    -5.495874     3.290713     1.915327
 C    -3.320252     3.102289    -0.595441
 H    -4.335178     2.956643    -0.993748
 H    -3.041022     4.152084    -0.762257
 H    -2.637140     2.480025    -1.191291
 C    -3.696468     0.785442     1.389932
 H    -4.690861     0.600548     0.955892
 H    -2.985077     0.121531     0.881130
 H    -3.726642     0.478455     2.445104
 C    -1.894374     5.611137     3.243664
 H    -1.347092     6.499780     3.594964
 H    -2.749491     5.966315     2.653631
 H    -2.289581     5.103215     4.134751
 C    -0.304193     5.460096     0.643009
 H     0.429822     4.903388     0.044618
 H    -1.195324     5.622376     0.019389
 H     0.125709     6.448114     0.865862
 C     0.844733     4.286605     3.270104
 H     1.350732     5.247752     3.446828
 H     0.601780     3.849151     4.249138
 H     1.554240     3.615810     2.767749
 C    -2.147917     1.371852     6.540470
 C    -1.820122     0.282229     7.581310
 H    -0.740038     0.217253     7.772731
 H    -2.316177     0.520969     8.531973
 H    -2.175303    -0.705716     7.255831
 C    -1.651221     2.736358     7.081531
 H    -1.891409     3.553687     6.388711
 H    -2.126400     2.957426     8.048083
 H    -0.562206     2.723633     7.225724
 C    -3.684994     1.421762     6.349837
 H    -4.058031     0.467785     5.952941
 H    -4.179687     1.614841     7.312523
 H    -3.978409     2.216903     5.651909
Ge     0.660190     0.263281     0.964926
Br     1.815961     2.237895     0.231584
Si    -3.220502     2.601219     1.220809
Si    -0.038555    -3.078283     4.092456
Si    -0.713271     4.530568     2.232611
Si     2.552689    -1.106069     4.266350
>
79
compound_2_germylene
 C     0.056464    -0.212031     0.200757
 C     1.300336     0.419857     0.014251
 C     1.348693     1.787421    -0.309809
 H     2.318158     2.262393    -0.434492
 C     0.169293     2.532968    -0.475715
 C    -1.065423     1.877551    -0.303560
 H    -1.993389     2.434190    -0.434479
 C    -1.139891     0.517946     0.039354
 C     2.568949    -0.392823     0.191649
 H     2.272798    -1.455433     0.405503
 C    -2.470536    -0.166774     0.256622
 H    -2.270437    -1.250189     0.408450
 C     2.311766    -1.414503    -2.674480
 H     1.983965    -2.406417    -2.333943
 H     1.407211    -0.802211    -2.800152
 H     2.777800    -1.534493    -3.663955
 C     5.005752    -1.709902    -1.180605
 H     5.467175    -1.978915    -2.142621
 H     5.778149    -1.212328    -0.576091
 H     4.735137    -2.647132    -0.672913
 C     4.073012     1.042346    -2.184751
 H     3.220338     1.646985    -2.522258
 H     4.660209     1.644936    -1.478920
 H     4.707720     0.848858    -3.063185
 C     4.459826    -1.371968     2.424447
 H     4.928759    -1.136801     3.391603
 H     3.785258    -2.226284     2.585985
 H     5.255234    -1.698802     1.741433
 C     4.706160     1.545718     1.448985
 H     5.500826     1.258998     0.745277
 H     4.196775     2.430140     1.040121
 H     5.191638     1.851398     2.387907
 C     2.219246     0.630845     3.047029
 H     2.681646     0.872804     4.015294
 H     1.647980     1.507422     2.710852
 H     1.499759    -0.185034     3.216239
 C    -3.560236     2.221388     2.000255
 H    -2.619996     2.787625     1.951312
 H    -4.213403     2.576360     1.191230
 H    -4.048546     2.471175     2.954336
 C    -4.864230    -0.571446     2.173358
 H    -5.267982    -0.372696     3.177420
 H    -5.636354    -0.281018     1.446114
 H    -4.716561    -1.657730     2.085698
 C    -2.009999    -0.113164     3.253400
 H    -2.384505     0.124142     4.260143
 H    -1.791053    -1.193625     3.233562
 H    -1.057706     0.420119     3.117139
 C    -4.730086     1.278892    -1.402077
 H    -5.315196     1.241835    -2.333522
 H    -5.444784     1.282369    -0.566096
 H    -4.198305     2.241772    -1.390733
 C    -4.514831    -1.800258    -1.342039
 H    -3.831038    -2.660934    -1.305065
 H    -5.205397    -1.881487    -0.491206
 H    -5.110697    -1.887572    -2.262802
 C    -2.387404    -0.137046    -2.817245
 H    -2.947753    -0.276608    -3.753864
 H    -1.846637     0.817440    -2.883578
 H    -1.639745    -0.939669    -2.743619
 C     0.185486     4.024856    -0.839518
 C     1.617646     4.581527    -0.971405
 H     2.182160     4.066994    -1.761428
 H     1.575197     5.648415    -1.229969
 H     2.176162     4.486034    -0.029527
 C    -0.545095     4.225652    -2.191414
 H    -1.586773     3.882420    -2.139588
 H    -0.550784     5.290443    -2.465868
 H    -0.042823     3.664448    -2.991116
 C    -0.549695     4.825233     0.265076
 H    -0.056655     4.686248     1.237059
 H    -0.545173     5.898174     0.024596
 H    -1.594779     4.504508     0.366300
Ge     0.113568    -2.047791     0.947150
Br    -0.684539    -3.287361    -0.963621
Si    -3.245313     0.363153     1.904282
Si     3.508832     0.120652     1.766865
Si    -3.535839    -0.187234    -1.323248
Si     3.499453    -0.604429    -1.457901
>
16
C2H5-CC-C2H5
 C    -2.697242     3.732984     1.812468
 C    -1.151418     3.758952     1.797232
 C    -0.562508     2.510971     2.294279
 C    -0.100043     1.462798     2.708372
 C     0.426945     0.195050     3.224551
 C    -0.631949    -0.611488     4.011103
 H    -0.799947     3.950334     0.770958
 H    -0.794742     4.604694     2.406220
 H    -3.074911     2.917651     1.183194
 H    -3.098374     4.682612     1.433676
 H    -3.069985     3.577702     2.832461
 H     1.292838     0.392853     3.876089
 H     0.804760    -0.415970     2.389521
 H    -0.997210    -0.033582     4.869011
 H    -0.199078    -1.550947     4.380190
 H    -1.489586    -0.849550     3.369837
>
95
INT-1-complex_compound2_with_3-hexyne
Ge    -0.408485    -1.804734    -0.732715
Br     1.549823    -3.273272    -0.367353
 C    -1.585186    -2.779888     1.094089
 C    -0.767095    -2.178876     1.801820
 C    -2.645371    -3.691462     0.609377
 H    -3.316320    -3.144526    -0.068008
 H    -3.242950    -3.998088     1.481092
 C    -2.067873    -4.928081    -0.110106
 H    -1.480512    -4.620000    -0.983096
 H    -2.886067    -5.578927    -0.443112
 H    -1.410144    -5.493377     0.560046
 C     0.233156    -1.527862     2.644996
 H     0.128431    -0.439757     2.549284
 H     1.224768    -1.790634     2.245767
 C     0.115923    -1.957865     4.124669
 H    -0.860811    -1.675319     4.535256
 H     0.897490    -1.455765     4.708805
 H     0.243041    -3.041866     4.229423
 C    -0.002482     0.092213    -0.102165
 C     1.246153     0.759221     0.006776
 C     1.278819     2.164548     0.148249
 H     2.257417     2.634738     0.223981
 C     0.124049     2.950367     0.172962
 C    -1.107314     2.280141     0.083863
 H    -2.035059     2.850306     0.089820
 C    -1.189415     0.884109    -0.034009
 C     2.578535     0.053474    -0.071991
 H     2.417543    -1.029971     0.027945
Si     3.805397     0.450608     1.321422
 C     4.784113    -1.129272     1.664112
 H     5.433895    -1.011139     2.544246
 H     5.422128    -1.409904     0.814959
 H     4.107533    -1.975770     1.854841
 C     5.031098     1.840913     0.924517
 H     4.534733     2.811979     0.780221
 H     5.627007     1.635567     0.023884
 H     5.735205     1.957977     1.762810
 C     2.904849     0.950648     2.910298
 H     2.374536     0.099677     3.359029
 H     2.169615     1.747878     2.733112
 H     3.626568     1.316699     3.656150
Si     3.257928     0.208889    -1.842350
 C     4.877404    -0.752567    -1.992677
 H     4.727511    -1.798538    -1.687876
 H     5.684401    -0.333257    -1.375038
 H     5.229409    -0.757996    -3.035239
 C     3.511688     2.010830    -2.353626
 H     3.916632     2.056494    -3.376191
 H     4.205149     2.553111    -1.697653
 H     2.554524     2.551666    -2.353261
 C     2.001653    -0.534987    -3.038645
 H     2.333406    -0.423470    -4.082032
 H     1.031751    -0.025595    -2.947703
 H     1.851199    -1.607206    -2.848052
 C    -2.574226     0.266818    -0.155567
 H    -2.494968    -0.825538    -0.006865
Si    -3.755716     0.711158     1.264767
 C    -5.319575    -0.332952     1.056648
 H    -5.083855    -1.402167     0.950050
 H    -5.905738    -0.031788     0.176335
 H    -5.972727    -0.226231     1.935728
 C    -2.937520     0.276635     2.910411
 H    -3.564074     0.598172     3.755756
 H    -1.966507     0.784663     3.002315
 H    -2.765678    -0.803688     3.005650
 C    -4.277961     2.526501     1.393254
 H    -5.132640     2.596270     2.084537
 H    -4.589309     2.973360     0.440839
 H    -3.473212     3.144585     1.814613
Si    -3.252519     0.433648    -1.932546
 C    -4.167065    -1.160128    -2.373230
 H    -4.558223    -1.120818    -3.400761
 H    -5.014336    -1.363148    -1.703453
 H    -3.474483    -2.013843    -2.316511
 C    -1.820210     0.653015    -3.139258
 H    -1.163897    -0.228977    -3.132942
 H    -1.205727     1.527441    -2.883515
 H    -2.190607     0.783447    -4.167186
 C    -4.412553     1.912612    -2.129002
 H    -3.907675     2.854548    -1.868407
 H    -5.315525     1.829805    -1.507731
 H    -4.739721     1.996604    -3.176350
 C     0.160143     4.480280     0.283131
 C    -0.609557     4.921560     1.552860
 H    -0.156073     4.484595     2.453086
 H    -1.660452     4.605838     1.514375
 H    -0.588518     6.016672     1.650681
 C     1.600007     5.025959     0.370479
 H     1.574155     6.122091     0.441033
 H     2.188290     4.759072    -0.518350
 H     2.122737     4.644029     1.258665
 C    -0.520556     5.091307    -0.967677
 H    -1.563819     4.760552    -1.058038
 H     0.010600     4.792688    -1.881794
 H    -0.515428     6.189292    -0.906409
>
95
compound_4_germirene
Ge    -0.030335    -1.674342     0.023636
Br    -0.037451    -2.216486     2.333901
 C     0.627916    -3.052041    -1.123311
 C    -0.729130    -3.031117    -1.124169
 C     1.729682    -3.896895    -1.681593
 H     2.316820    -3.296912    -2.394278
 H     1.308823    -4.744206    -2.246380
 C     2.663981    -4.407265    -0.565435
 H     3.099462    -3.564187    -0.013529
 H     3.481490    -5.006651    -0.987185
 H     2.111018    -5.026145     0.152252
 C    -1.856345    -3.840898    -1.683614
 H    -1.461912    -4.697816    -2.252894
 H    -2.427335    -3.220765    -2.392185
 C    -2.802738    -4.328130    -0.567188
 H    -2.266886    -4.966761     0.146156
 H    -3.639123    -4.900588    -0.989350
 H    -3.211009    -3.474799    -0.010178
 C    -0.002937     0.259728    -0.092116
 C    -1.220505     0.970672    -0.096538
 C    -1.178051     2.379312    -0.118872
 H    -2.122050     2.918842    -0.106774
 C     0.035321     3.081837    -0.126722
 C     1.231377     2.341528    -0.119365
 H     2.189192     2.860692    -0.108874
 C     1.237637     0.936997    -0.096239
 C    -2.546466     0.252973    -0.068581
 H    -2.334430    -0.834000    -0.010467
Si    -3.392083     0.385846    -1.763368
 C    -4.852436    -0.813102    -1.807554
 H    -5.296667    -0.855167    -2.813249
 H    -5.648546    -0.511072    -1.110885
 H    -4.546158    -1.833901    -1.537177
 C    -4.007943     2.122050    -2.182582
 H    -3.178337     2.842126    -2.220167
 H    -4.752330     2.497484    -1.468558
 H    -4.477212     2.113372    -3.178475
 C    -2.100843    -0.084560    -3.060888
 H    -1.562198    -1.004288    -2.793251
 H    -1.348257     0.712488    -3.145686
 H    -2.551517    -0.227636    -4.054124
Si    -3.533696     0.571791     1.529333
 C    -4.361729    -1.060336     1.993566
 H    -3.597291    -1.824528     2.200033
 H    -5.010477    -1.440304     1.191303
 H    -4.978675    -0.955999     2.898417
 C    -4.845500     1.917269     1.323827
 H    -5.360115     2.097446     2.279713
 H    -5.611046     1.639839     0.584729
 H    -4.403534     2.872577     1.004914
 C    -2.336075     1.070356     2.897011
 H    -2.856516     1.165438     3.861938
 H    -1.846213     2.029943     2.679939
 H    -1.547352     0.312965     3.010265
 C     2.541017     0.178256    -0.068202
 H     2.294490    -0.901264    -0.007825
Si     3.389248     0.283638    -1.763502
 C     4.820729    -0.949758    -1.803723
 H     4.491041    -1.961644    -1.527433
 H     5.625019    -0.663106    -1.110026
 H     5.262046    -1.007726    -2.809907
 C     2.088086    -0.158614    -3.060776
 H     2.536168    -0.313401    -4.053434
 H     1.354668     0.655915    -3.147262
 H     1.527951    -1.065101    -2.792647
 C     4.044080     2.004160    -2.187321
 H     4.524638     1.979567    -3.177505
 H     4.786996     2.370823    -1.467235
 H     3.228043     2.738453    -2.240496
Si     3.540639     0.466949     1.527344
 C     4.322528    -1.189707     1.984770
 H     4.940591    -1.108396     2.891161
 H     4.961348    -1.583478     1.181166
 H     3.536177    -1.932950     2.185586
 C     2.364512     0.998642     2.900755
 H     1.557444     0.262246     3.022926
 H     1.898150     1.970001     2.684623
 H     2.894609     1.083342     3.861427
 C     4.888371     1.776600     1.321581
 H     4.470175     2.743762     1.006070
 H     5.645788     1.482535     0.580649
 H     5.408527     1.941660     2.277200
 C     0.096557     4.616491    -0.125943
 C     0.869701     5.096568    -1.379871
 H     0.364616     4.765903    -2.297692
 H     1.894683     4.703126    -1.395878
 H     0.927984     6.194465    -1.393245
 C    -1.304776     5.260154    -0.142645
 H    -1.205448     6.354198    -0.147097
 H    -1.889860     4.979922     0.744449
 H    -1.873336     4.970356    -1.037497
 C     0.837842     5.092117     1.149050
 H     1.859779     4.692920     1.192235
 H     0.306609     4.761686     2.052015
 H     0.900309     6.189793     1.165645
>
95
compound_3_vinylgermylene
Ge    -0.740151     2.010745    -0.942586
Br    -1.365660     4.349844    -1.176554
 C    -0.615156     1.977183     1.068811
 C    -0.083421     0.795888     1.507081
 C    -0.947402     3.128425     1.991456
 H    -0.556668     4.063407     1.564688
 H    -0.472370     2.995198     2.975803
 C    -2.470623     3.297814     2.178890
 H    -2.939973     3.553792     1.221088
 H    -2.686089     4.106577     2.890272
 H    -2.929780     2.373105     2.556394
 C     0.299038     0.506392     2.955342
 H     0.835270     1.368646     3.380058
 H     0.993756    -0.343772     2.972918
 C    -0.914111     0.186920     3.854033
 H    -1.609671     1.033733     3.887431
 H    -0.586586    -0.033527     4.879055
 H    -1.458666    -0.684718     3.475840
 C     0.186017    -0.282382     0.493222
 C    -0.863900    -1.076539    -0.041955
 C    -0.563661    -1.992535    -1.072569
 H    -1.378034    -2.588834    -1.470548
 C     0.731248    -2.163318    -1.573244
 C     1.759432    -1.399502    -0.995824
 H     2.783679    -1.523212    -1.345103
 C     1.519439    -0.476435     0.033787
 C    -2.265290    -1.082386     0.545503
 H    -2.325736    -0.302761     1.324401
Si    -2.501269    -2.745191     1.467935
 C    -3.734528    -2.550496     2.890888
 H    -3.706725    -3.449699     3.525098
 H    -4.766874    -2.428054     2.539461
 H    -3.500732    -1.690695     3.534929
 C    -3.122422    -4.124332     0.330916
 H    -2.388105    -4.372796    -0.448385
 H    -4.069727    -3.876978    -0.166981
 H    -3.290906    -5.037939     0.921243
 C    -0.850261    -3.325260     2.181116
 H    -0.420070    -2.610733     2.895602
 H    -0.109324    -3.480778     1.385962
 H    -0.983928    -4.281234     2.710128
Si    -3.692747    -0.650815    -0.639713
 C    -3.741987     1.210934    -0.974747
 H    -3.091094     1.495496    -1.817213
 H    -3.452875     1.801615    -0.093612
 H    -4.757329     1.534062    -1.252791
 C    -5.349566    -1.072539     0.170932
 H    -6.168427    -0.729313    -0.479474
 H    -5.464634    -0.561592     1.137912
 H    -5.496873    -2.147565     0.340399
 C    -3.598505    -1.516043    -2.315500
 H    -4.469099    -1.216964    -2.919526
 H    -3.607888    -2.612624    -2.245852
 H    -2.696993    -1.215878    -2.867475
 C     2.691878     0.252405     0.660143
 H     2.320330     0.895252     1.476223
Si     3.878604    -0.973870     1.517915
 C     4.573879    -0.145417     3.068549
 H     3.761363     0.149265     3.749753
 H     5.159603     0.755108     2.840537
 H     5.228853    -0.838213     3.617777
 C     2.957136    -2.538808     2.035046
 H     3.638744    -3.221148     2.565506
 H     2.558854    -3.072389     1.161483
 H     2.110989    -2.329027     2.703557
 C     5.305864    -1.520588     0.402750
 H     5.968003    -2.202847     0.957362
 H     5.921921    -0.684831     0.044244
 H     4.943542    -2.069532    -0.478754
Si     3.536979     1.509358    -0.489708
 C     2.325912     2.909174    -0.860259
 H     2.806940     3.750609    -1.380353
 H     1.848750     3.305301     0.046533
 H     1.532107     2.545767    -1.539720
 C     4.076111     0.777941    -2.143826
 H     3.206061     0.443095    -2.725652
 H     4.764532    -0.071528    -2.040917
 H     4.589980     1.549831    -2.736772
 C     5.023071     2.271357     0.397781
 H     5.818750     1.547031     0.619319
 H     4.719628     2.733459     1.348909
 H     5.465206     3.064643    -0.223561
 C     1.060707    -3.157643    -2.695822
 C     2.096033    -4.186903    -2.177545
 H     1.691706    -4.745669    -1.322241
 H     3.024299    -3.697088    -1.854470
 H     2.349721    -4.904140    -2.971339
 C    -0.184611    -3.925305    -3.182770
 H     0.101866    -4.616961    -3.986789
 H    -0.951693    -3.246108    -3.579148
 H    -0.633623    -4.519702    -2.374329
 C     1.661694    -2.382544    -3.895485
 H     2.581554    -1.855069    -3.610457
 H     0.947254    -1.638797    -4.273421
 H     1.906134    -3.076126    -4.713053
>
95
TS[2+1]_2_4
Ge    -0.343407    -1.737557    -0.502819
Br     1.538539    -3.200800    -0.910678
 C    -1.526887    -2.809224     0.745805
 C    -0.613193    -2.356512     1.527517
 C    -2.705501    -3.658539     0.408682
 H    -3.539796    -3.010835     0.100071
 H    -3.015324    -4.178338     1.328807
 C    -2.395935    -4.667955    -0.711269
 H    -2.088679    -4.135325    -1.620552
 H    -3.285407    -5.269175    -0.937786
 H    -1.577462    -5.336264    -0.418140
 C     0.017856    -2.264563     2.865277
 H    -0.015105    -1.213969     3.187546
 H     1.082717    -2.520515     2.761484
 C    -0.656406    -3.169678     3.915926
 H    -1.709002    -2.889344     4.050564
 H    -0.147691    -3.072869     4.884498
 H    -0.614639    -4.221475     3.606032
 C     0.006386     0.182627    -0.069574
 C     1.270909     0.798244     0.059092
 C     1.332225     2.202323     0.201981
 H     2.320432     2.646196     0.302548
 C     0.194175     3.013058     0.207280
 C    -1.051122     2.372682     0.093946
 H    -1.965808     2.963553     0.087113
 C    -1.170864     0.978621    -0.029115
 C     2.574201     0.043496     0.018245
 H     2.359120    -1.035201     0.035308
Si     3.668046     0.278911     1.553628
 C     4.481689    -1.388901     1.910531
 H     5.090007    -1.352139     2.826568
 H     5.137585    -1.704594     1.087173
 H     3.724184    -2.176345     2.040043
 C     5.024806     1.583709     1.359630
 H     4.612614     2.586244     1.173329
 H     5.717303     1.349587     0.538695
 H     5.619462     1.642526     2.284247
 C     2.606284     0.777988     3.035704
 H     1.808664     0.044942     3.216347
 H     2.124354     1.753038     2.879219
 H     3.216306     0.843213     3.949270
Si     3.403439     0.287561    -1.678841
 C     4.903740    -0.854341    -1.788212
 H     4.604180    -1.893107    -1.586852
 H     5.692646    -0.584826    -1.070934
 H     5.348684    -0.823957    -2.793995
 C     3.926575     2.078374    -1.996447
 H     4.425498     2.140854    -2.976047
 H     4.620297     2.478914    -1.246307
 H     3.048872     2.739335    -2.036055
 C     2.168872    -0.147196    -3.038077
 H     2.602715     0.043458    -4.031537
 H     1.262326     0.468166    -2.949087
 H     1.870279    -1.202996    -2.996343
 C    -2.557902     0.383724    -0.173569
 H    -2.479060    -0.715508    -0.101590
Si    -3.704150     0.755419     1.290544
 C    -5.321334    -0.190742     1.031655
 H    -5.142610    -1.261013     0.851159
 H    -5.897536     0.197870     0.179393
 H    -5.961856    -0.110879     1.922845
 C    -2.862206     0.128546     2.859877
 H    -3.447304     0.374610     3.758288
 H    -1.867688     0.585245     2.969576
 H    -2.728666    -0.961511     2.829208
 C    -4.126801     2.579128     1.558442
 H    -4.941702     2.654619     2.295189
 H    -4.461362     3.088049     0.644859
 H    -3.269938     3.133521     1.964866
Si    -3.226607     0.638482    -1.939487
 C    -4.220327    -0.896548    -2.417721
 H    -4.598705    -0.819592    -3.447935
 H    -5.083789    -1.065138    -1.759358
 H    -3.578424    -1.789462    -2.368177
 C    -1.769586     0.805808    -3.124125
 H    -1.106959    -0.069031    -3.054126
 H    -1.166339     1.694740    -2.892374
 H    -2.110881     0.886635    -4.166901
 C    -4.310994     2.179732    -2.081352
 H    -3.757814     3.084574    -1.788924
 H    -5.210952     2.118101    -1.452627
 H    -4.643505     2.321721    -3.120632
 C     0.264157     4.541989     0.320743
 C    -0.525990     5.002587     1.570803
 H    -0.104628     4.556910     2.482293
 H    -1.582712     4.711551     1.507278
 H    -0.481638     6.097125     1.667726
 C     1.714104     5.052381     0.445641
 H     1.713100     6.148490     0.520776
 H     2.317974     4.775414    -0.429547
 H     2.206015     4.654333     1.344358
 C    -0.369490     5.169883    -0.946341
 H    -1.418383     4.865516    -1.062149
 H     0.175672     4.857309    -1.847417
 H    -0.338360     6.267456    -0.885040
>
95
TS[2+2]_2_3
Ge    -0.272417    -1.946594    -0.757810
Br     1.800882    -3.307369    -0.678781
 C    -0.862959    -2.545930     1.133198
 C    -0.298214    -1.495175     1.598255
 C    -1.473177    -3.859850     1.508300
 H    -1.560161    -3.934275     2.601942
 H    -0.779040    -4.646860     1.177632
 C    -2.844732    -4.070283     0.840910
 H    -3.566478    -3.318532     1.185683
 H    -3.242180    -5.065254     1.078629
 H    -2.755156    -3.981925    -0.250070
 C     0.362260    -0.743868     2.681129
 H    -0.040378     0.276101     2.734891
 H     1.422911    -0.642559     2.420131
 C     0.218812    -1.477986     4.030051
 H    -0.835538    -1.567688     4.318312
 H     0.744362    -0.912006     4.810615
 H     0.655221    -2.482795     3.975328
 C    -0.043093     0.029069    -0.006645
 C     1.167145     0.771384     0.076231
 C     1.109959     2.179394     0.134566
 H     2.056972     2.713868     0.184955
 C    -0.094902     2.890380     0.116732
 C    -1.282549     2.141154     0.046062
 H    -2.241663     2.654802     0.007530
 C    -1.285582     0.739296    -0.009777
 C     2.529187     0.126242     0.044755
 H     2.417531    -0.961992     0.177469
Si     3.774757     0.653801     1.392642
 C     5.046237     1.939762     0.830547
 H     5.779052     2.087399     1.639186
 H     4.579820     2.916845     0.635529
 H     5.603774     1.649641    -0.069408
 C     2.955673     1.423245     2.926718
 H     2.689294     0.673087     3.684328
 H     2.047130     1.987774     2.675086
 H     3.660369     2.123193     3.400729
 C     4.690332    -0.915161     1.911595
 H     5.235500    -1.364154     1.069752
 H     3.987721    -1.676271     2.283357
 H     5.417076    -0.709059     2.711441
Si     3.229114     0.271415    -1.731049
 C     4.826091    -0.730275    -1.844780
 H     4.620196    -1.774142    -1.565956
 H     5.629846    -0.358002    -1.194627
 H     5.208350    -0.730939    -2.876586
 C     3.499084     2.069231    -2.260225
 H     3.915075     2.079181    -3.279784
 H     4.179533     2.643457    -1.620586
 H     2.537255     2.601251    -2.298108
 C     1.998453    -0.412370    -2.986359
 H     2.345954    -0.192442    -4.007754
 H     1.017314     0.067308    -2.866520
 H     1.873455    -1.498962    -2.899302
 C    -2.611568     0.024525    -0.180136
 H    -2.457407    -1.063241    -0.066325
Si    -3.898877     0.353181     1.178886
 C    -5.469219    -0.618147     0.768673
 H    -5.259360    -1.685565     0.608382
 H    -5.976288    -0.242928    -0.131416
 H    -6.184968    -0.545564     1.601486
 C    -3.249290    -0.263302     2.842872
 H    -4.002801    -0.108013     3.629885
 H    -2.344931     0.286262     3.139169
 H    -3.000219    -1.332660     2.819384
 C    -4.371295     2.167442     1.430505
 H    -5.231740     2.218004     2.115901
 H    -4.659086     2.680856     0.503935
 H    -3.552186     2.733436     1.895260
Si    -3.243322     0.223494    -1.974022
 C    -4.088136    -1.383345    -2.495906
 H    -4.426563    -1.326300    -3.541298
 H    -4.960638    -1.631639    -1.876951
 H    -3.375754    -2.219317    -2.424216
 C    -1.792959     0.540298    -3.135339
 H    -1.092395    -0.306304    -3.130324
 H    -1.233570     1.441146    -2.847405
 H    -2.145620     0.674005    -4.169105
 C    -4.438189     1.678922    -2.151324
 H    -3.949556     2.626763    -1.880674
 H    -5.341724     1.578163    -1.534275
 H    -4.762726     1.769272    -3.199056
 C    -0.155504     4.422700     0.155228
 C    -0.976504     4.874033     1.388904
 H    -0.510062     4.516515     2.317244
 H    -2.002756     4.485556     1.352091
 H    -1.030940     5.971581     1.429532
 C     1.246230     5.060189     0.241478
 H     1.151745     6.154454     0.266963
 H     1.864859     4.795904    -0.627390
 H     1.776782     4.746887     1.151637
 C    -0.847231     4.931964    -1.134844
 H    -1.867915     4.536720    -1.225039
 H    -0.283313     4.621198    -2.024931
 H    -0.907032     6.029992    -1.127691
