97
Compound 10a, B3LYP(D3)/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-5571.98545 a.u.
Ge                 0.21721000   -0.04744500   -0.00108100
 Si                -0.79512700    2.10454200   -0.40508300
 Si                -1.36341300   -1.82510600    0.40367700
 C                  2.06712900   -0.11536700    0.64802800
 C                  2.02334200   -0.47269600   -0.63276700
 Si                -3.08919000    1.50987700   -0.53958400
 Si                -0.32554800    3.39150900    1.52458900
 Si                 0.14871000    3.03343600   -2.36370100
 Si                -3.39836800   -0.60457800    0.52432500
 Si                -1.29762900   -3.19442200   -1.52539500
 Si                -0.71636300   -2.97753300    2.36349800
 C                  3.01264500    0.16560700    1.71452700
 C                  2.87543100   -0.96861300   -1.69953700
 C                 -4.20017500    2.79370500    0.32395600
 C                 -3.65291800    1.38500500   -2.35257500
 C                 -1.23575700    5.05377800    1.48266300
 C                  1.53351900    3.71513600    1.65159000
 C                 -0.88491800    2.43216500    3.05966400
 C                 -0.38344300    2.06147800   -3.90114800
 C                 -0.40379300    4.83467400   -2.57358900
 C                  2.03428200    2.97122600   -2.22529700
 C                 -4.82063600   -1.52974300   -0.34067700
 C                 -3.92102400   -0.29690700    2.32881200
 C                 -2.61529500   -4.55359700   -1.43878100
 C                  0.40444200   -4.00050600   -1.69745200
 C                 -1.62655500   -2.12255900   -3.05365800
 C                 -0.98494800   -1.89178000    3.89270700
 C                 -1.73067500   -4.56555800    2.56484800
 C                  1.11790700   -3.42439800    2.23948600
 C                  2.59265600    0.14135600    3.05364300
 C                  4.34268600    0.53062900    1.43676100
 C                  2.45098400   -0.88589500   -3.03491200
 C                  4.10991100   -1.58614800   -1.42658500
 H                 -4.09819200    3.77849300   -0.14136900
 H                 -3.94843100    2.89315900    1.38267600
 H                 -5.25198900    2.49784800    0.25682700
 H                 -4.68915200    1.03760800   -2.40710100
 H                 -3.03255800    0.69087600   -2.92295200
 H                 -3.59899400    2.36218400   -2.84138800
 H                 -2.32025700    4.91830300    1.46936100
 H                 -0.96099600    5.63672700    0.59939600
 H                 -0.98169100    5.64746200    2.36749900
 H                  1.76319900    4.22675700    2.59239500
 H                  1.88432200    4.35010600    0.83351000
 H                  2.10506600    2.78467500    1.62925200
 H                 -0.62534300    2.98013600    3.97134800
 H                 -0.39645500    1.45570700    3.10569700
 H                 -1.96624600    2.27165700    3.06163800
 H                 -1.43680200    2.22954700   -4.13622600
 H                 -0.24219900    0.98613900   -3.76936400
 H                  0.21088900    2.37340000   -4.76646100
 H                  0.00032100    5.25497500   -3.50075000
 H                 -0.05457000    5.45705600   -1.74503000
 H                 -1.49385300    4.91500600   -2.61547900
 H                  2.38957700    1.94153600   -2.13992500
 H                  2.39029400    3.51871000   -1.34920900
 H                  2.49508700    3.41601900   -3.11384700
 H                 -5.01161800   -2.49396100    0.13951400
 H                 -4.59365200   -1.71706300   -1.39296600
 H                 -5.74348000   -0.94274400   -0.29575300
 H                 -4.80442400    0.34828500    2.36084400
 H                 -3.12804100    0.18732100    2.90240400
 H                 -4.17147400   -1.23674300    2.82938400
 H                 -3.62172100   -4.13327300   -1.36943700
 H                 -2.46321700   -5.20070700   -0.57048400
 H                 -2.57320200   -5.18114300   -2.33553100
 H                  0.45334600   -4.58665400   -2.62141600
 H                  0.60938800   -4.67641200   -0.86289200
 H                  1.20098400   -3.25386300   -1.73192100
 H                 -1.55447400   -2.72080800   -3.96787500
 H                 -0.89686800   -1.31214800   -3.12629700
 H                 -2.62389600   -1.67598400   -3.02321400
 H                 -2.04831600   -1.76379000    4.10703700
 H                 -0.55410700   -0.89621200    3.76154500
 H                 -0.51471200   -2.34881100    4.76966600
 H                 -1.46120700   -5.07887600    3.49402300
 H                 -1.55127900   -5.25709700    1.73717500
 H                 -2.80316700   -4.35345900    2.59643500
 H                  1.73893500   -2.53025600    2.14844600
 H                  1.31839600   -4.05564900    1.37022100
 H                  1.43736500   -3.96920200    3.13441700
 H                  1.56297000   -0.11447500    3.27134900
 C                  3.47521400    0.44286600    4.08468200
 C                  5.21897300    0.84763800    2.46823800
 H                  4.67254000    0.58258900    0.40614500
 H                  1.48980500   -0.43380900   -3.24760700
 C                  3.24252400   -1.37520500   -4.06801300
 C                  4.89243800   -2.08849500   -2.45950200
 H                  4.43742300   -1.68273800   -0.39847700
 H                  3.13313700    0.41089100    5.11314800
 C                  4.79198100    0.79911600    3.79618200
 H                  6.23817900    1.13764200    2.23730500
 H                  2.90043900   -1.29410100   -5.09374900
 C                  4.46642500   -1.97962400   -3.78431100
 H                  5.83762600   -2.56943900   -2.23248000
 H                  5.47859400    1.04525900    4.59818000
 H                  5.08089300   -2.37026500   -4.58746600

97
Compound 11a, B3LYP(D3)/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-5571.96813 a.u.
Si                -2.08896600   -0.98662100   -0.11314200
 C                 -1.41731900    0.80922800   -0.12446200
 C                 -0.26938000    1.21420500   -0.71182800
 Ge                 1.25730200    0.35256900   -1.70448700
 Si                 2.71162100   -0.33354800    0.17567100
 Si                -0.44525400   -2.68500900   -0.49168000
 C                 -0.09946200   -2.92612100   -2.35562700
 C                 -1.12719400   -4.35777600    0.11447600
 Si                 1.66387300   -2.45063000    0.57160500
 C                  2.71817700   -3.87773100   -0.12584000
 C                  1.47086000   -2.78373400    2.43536100
 Si                 4.87712500   -0.59738800   -0.75180600
 C                  5.57231900    1.12035600   -1.15315100
 C                  4.78893600   -1.58110100   -2.36877700
 C                  6.07912600   -1.47300500    0.42427800
 Si                 2.78221300    0.89924100    2.19757200
 C                  3.49247900    2.62536100    1.87636300
 C                  3.91076400    0.07085600    3.47731300
 C                  1.04055100    1.02018800    2.94103400
 Si                -3.57246700   -1.06289400   -1.97401700
 C                 -4.02309300   -2.84860300   -2.43302400
 C                 -2.70693800   -0.23762900   -3.44367500
 C                 -5.20631700   -0.16736600   -1.62422100
 Si                -3.35289400   -1.53591600    1.83586400
 C                 -2.21490000   -1.71503100    3.34154800
 C                 -4.24935200   -3.18409200    1.54859900
 C                 -4.73028800   -0.29972700    2.23511200
 C                  0.11956700    2.64837600   -0.85397600
 C                  0.26941900    3.20170500   -2.14183500
 C                  0.68547600    4.52342400   -2.31126700
 C                  0.95797800    5.31664700   -1.20338500
 C                  0.80876000    4.78364600    0.07993000
 C                  0.40574800    3.46727800    0.25341100
 C                 -2.34760800    1.86401100    0.40368400
 C                 -3.11336400    2.64250900   -0.47345200
 C                 -3.92945100    3.66562700    0.00185800
 C                 -3.98845500    3.93826700    1.36715100
 C                 -3.22942800    3.17396500    2.25070000
 C                 -2.42541600    2.14193500    1.77294000
 H                  0.30758500   -2.03488200   -2.84249500
 H                  0.62574600   -3.73444900   -2.49085500
 H                 -1.01079400   -3.20100500   -2.89162400
 H                 -2.06852400   -4.61172700   -0.37973200
 H                 -0.40536800   -5.14731500   -0.11619900
 H                 -1.29539200   -4.36107000    1.19347600
 H                  2.82458500   -3.80840200   -1.21015700
 H                  3.71996700   -3.87955600    0.31267500
 H                  2.24855100   -4.83913200    0.10631700
 H                  2.45212800   -2.85828200    2.91187400
 H                  0.90316300   -2.00379300    2.94388300
 H                  0.95175000   -3.73521400    2.58898900
 H                  5.69796900    1.72661100   -0.25260700
 H                  6.54993800    1.03367500   -1.63933700
 H                  4.90777700    1.66585500   -1.82963600
 H                  4.52542600   -2.62539900   -2.18741700
 H                  5.76125900   -1.56381300   -2.87273100
 H                  4.04835200   -1.15926000   -3.05407300
 H                  7.05366500   -1.60433600   -0.05836900
 H                  6.23572400   -0.89775000    1.34048600
 H                  5.71240400   -2.46204200    0.71128600
 H                  2.97983100    3.14495000    1.06591800
 H                  3.41302900    3.23943800    2.78030500
 H                  4.55197100    2.55553800    1.61581400
 H                  3.57733000   -0.94062800    3.72023200
 H                  3.90836500    0.65602700    4.40386800
 H                  4.94375100    0.01057800    3.12535200
 H                  0.84044000    0.16397600    3.59008800
 H                  0.93040700    1.92742600    3.54388600
 H                  0.28171300    1.02954400    2.15839200
 H                 -4.55491100   -3.34437800   -1.61663500
 H                 -4.68238200   -2.85130400   -3.30770200
 H                 -3.14786100   -3.45473600   -2.67529100
 H                 -2.39073000    0.77736100   -3.18925100
 H                 -3.37357000   -0.18175700   -4.31049800
 H                 -1.81258800   -0.79251500   -3.73878000
 H                 -5.80565100   -0.72536500   -0.89916700
 H                 -5.05213800    0.83774500   -1.22733500
 H                 -5.79237000   -0.08645200   -2.54623400
 H                 -1.49068200   -2.52092500    3.19586300
 H                 -1.65383300   -0.79562700    3.53125400
 H                 -2.79770500   -1.94500500    4.23964700
 H                 -4.96765600   -3.09717400    0.72876400
 H                 -4.81480000   -3.44015700    2.45131200
 H                 -3.58157700   -4.01601200    1.32525200
 H                 -4.35266900    0.64882100    2.61354200
 H                 -5.34055200   -0.08144900    1.35578000
 H                 -5.38317100   -0.74051100    2.99689000
 H                  0.00892600    2.60725700   -3.01012100
 H                  0.78178500    4.93028500   -3.31155700
 H                  1.27679800    6.34465300   -1.33220400
 H                  1.01029200    5.39972500    0.94917900
 H                  0.28826000    3.06689200    1.24979700
 H                 -3.05002600    2.45160500   -1.53806300
 H                 -4.51197300    4.25636900   -0.69656200
 H                 -4.61720700    4.73962100    1.73812100
 H                 -3.26434500    3.37839400    3.31536200
 H                 -1.84078500    1.55157800    2.46825300

97
Compound 12a, B3LYP(D3)/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-5572.00364 a.u.
Ge                -0.32821500   -0.19935700    0.62852900
 Si                -2.54563200   -0.09816800   -0.39746500
 Si                 1.76551800   -1.25256900    0.01948400
 C                  2.10382800    0.62147300   -0.18582800
 C                  0.94963100    1.26555600    0.14256600
 Si                -3.42984800    0.39755400    1.76616700
 C                 -4.97384500   -0.58288900    2.28652500
 C                 -3.77994000    2.25134900    2.00651300
 Si                -1.39116300   -0.23395100    2.81761500
 C                 -0.73606100    0.89917100    4.19559600
 C                 -1.41505200   -2.01475500    3.48628600
 Si                -2.77690300    1.53341800   -2.10100500
 C                 -4.38404300    1.21958000   -3.06030200
 C                 -1.31699100    1.39523400   -3.29775600
 C                 -2.83304700    3.28749300   -1.40508400
 Si                -3.29752400   -2.20668100   -1.15040700
 C                 -2.60503200   -2.60125700   -2.87008500
 C                 -5.18933000   -2.22192600   -1.26481600
 C                 -2.76844000   -3.55633600    0.07125000
 Si                 3.11087600   -2.05525300    1.78337600
 C                  4.93205900   -1.86751800    1.29827500
 C                  2.73063100   -3.87350600    2.15807000
 C                  2.77455900   -1.01025100    3.32576800
 Si                 1.88809200   -2.57571200   -1.93266500
 C                  0.85196600   -4.14107900   -1.67790100
 C                  3.66769200   -3.13170500   -2.28244000
 C                  1.23806900   -1.58122900   -3.40434300
 C                  3.41463600    1.24206600   -0.47490100
 C                  3.93258800    2.25270000    0.35144600
 C                  5.19263500    2.79185400    0.11494700
 C                  5.96231500    2.34015600   -0.95700100
 C                  5.46122200    1.33905800   -1.78716400
 C                  4.20572700    0.79059800   -1.54141000
 C                  0.68750000    2.71484000    0.10453000
 C                 -0.00722700    3.34528200    1.14784300
 C                 -0.27929200    4.70949400    1.10956000
 C                  0.11649100    5.47104000    0.01127200
 C                  0.79263300    4.85579400   -1.04226400
 C                  1.08012400    3.49593900   -0.99516700
 H                 -5.83255500   -0.32231400    1.66049700
 H                 -4.81075700   -1.66047600    2.20371300
 H                 -5.23707300   -0.36200500    3.32580600
 H                 -4.65652500    2.55766200    1.42813500
 H                 -3.97849900    2.47115400    3.06032000
 H                 -2.93637000    2.86476100    1.68180300
 H                  0.32727700    0.72146100    4.37827000
 H                 -0.86527200    1.95698100    3.95700100
 H                 -1.27653500    0.70056700    5.12696200
 H                 -0.41905400   -2.31475300    3.82616600
 H                 -2.09900900   -2.09586800    4.33705400
 H                 -1.73760400   -2.72768400    2.72480300
 H                 -5.25715600    1.27474900   -2.40377000
 H                 -4.50880600    1.97251100   -3.84604700
 H                 -4.38602300    0.23578100   -3.53728400
 H                 -1.35889200    2.19870100   -4.04093200
 H                 -1.32702300    0.44242900   -3.83309000
 H                 -0.36497500    1.47638600   -2.76757000
 H                 -2.91531900    4.00648700   -2.22731900
 H                 -3.69001800    3.43194900   -0.74326100
 H                 -1.92800200    3.52475200   -0.84443500
 H                 -1.51397600   -2.60555400   -2.88590300
 H                 -2.94824700   -3.58798300   -3.19901600
 H                 -2.94505700   -1.86786000   -3.60669500
 H                 -5.64637700   -2.04765600   -0.28738600
 H                 -5.54052800   -3.19204100   -1.63285700
 H                 -5.55461000   -1.45142500   -1.94888400
 H                 -1.69637200   -3.51774800    0.28019600
 H                 -3.29783200   -3.44105000    1.02131100
 H                 -3.00082700   -4.55189300   -0.32079200
 H                  5.16236000   -0.82721900    1.05233800
 H                  5.58545100   -2.17731700    2.12099400
 H                  5.17745100   -2.47664200    0.42428500
 H                  1.68370600   -4.00923600    2.44496500
 H                  3.35384600   -4.23935000    2.98073000
 H                  2.92354000   -4.50701300    1.28724400
 H                  3.43724700   -1.29858300    4.14823400
 H                  2.93403900    0.05148100    3.11750600
 H                  1.74290800   -1.13424300    3.66334400
 H                 -0.19583800   -3.91453600   -1.47508600
 H                  0.89225600   -4.77365500   -2.57085300
 H                  1.23467600   -4.72635200   -0.83667400
 H                  4.35802900   -2.28997800   -2.37787700
 H                  3.70674200   -3.70687900   -3.21380600
 H                  4.03833900   -3.77498500   -1.47925300
 H                  1.12074200   -2.21394100   -4.29004100
 H                  0.27076400   -1.12999100   -3.17622600
 H                  1.92207100   -0.76708900   -3.65954100
 H                  3.33718200    2.60715100    1.18426100
 H                  5.57614200    3.56679600    0.76964800
 H                  6.94442200    2.76108200   -1.14014500
 H                  6.05107700    0.97974000   -2.62331600
 H                  3.82427700    0.00946900   -2.18819000
 H                 -0.32611900    2.75533600    1.99800400
 H                 -0.81163000    5.17489000    1.93179700
 H                 -0.10794400    6.53075600   -0.02824300
 H                  1.09577300    5.43788300   -1.90554500
 H                  1.60952500    3.02354500   -1.81360700

 97
Compound 13a, B3LYP(D3)/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-5572.00560 a.u.
Ge                 0.65777800   -0.45273600   -0.33808000
 Si                 2.04380400   -2.32918900    0.21730500
 Si                -1.15752400    0.54864700    0.94524800
 Si                -0.80008500   -0.43826000   -2.28509900
 C                  2.56794100    0.17995600   -0.33920300
 C                  3.30432000   -0.93074000   -0.05032100
 C                  2.01893100   -3.03809200    1.96917400
 C                  2.21375700   -3.75208500   -1.01267700
 Si                -2.62157700   -0.31669700   -0.74865600
 Si                -1.62896900   -0.10208000    3.18143700
 Si                -0.90945200    2.91657800    0.96598700
 C                 -0.63095600    1.03994400   -3.46447900
 C                 -0.68112800   -1.99383400   -3.36881700
 C                  3.06416300    1.54987600   -0.56178600
 C                  4.78053300   -1.03369100   -0.04107200
 H                  1.14805300   -3.68418200    2.11065900
 H                  1.98351600   -2.24231400    2.71684900
 H                  2.91141300   -3.64468000    2.15341600
 H                  3.16219700   -4.27791900   -0.86167100
 H                  2.18762500   -3.38739400   -2.04208200
 H                  1.40338700   -4.47544800   -0.88423500
 Si                -4.59041600    0.90873800   -1.22651100
 Si                -3.22390700   -2.57326600   -0.31095300
 C                 -1.44700500   -1.95478700    3.52482400
 C                 -0.48179800    0.80710000    4.38649000
 C                 -3.41620000    0.38778500    3.58301100
 C                  0.67800100    3.37779300    1.88705400
 C                 -2.38231600    3.72294700    1.85160600
 C                 -0.77166100    3.67351300   -0.76067500
 H                  0.28960300    0.95121300   -4.05003900
 H                 -0.61692800    1.99680400   -2.94459800
 H                 -1.47078600    1.04835500   -4.16685200
 H                 -1.48861500   -2.01942200   -4.10712700
 H                 -0.72636100   -2.91188300   -2.78102600
 H                  0.26894600   -1.99040700   -3.91262300
 C                  3.97293500    2.14164700    0.33102700
 C                  2.60493800    2.31372500   -1.64452500
 C                  5.43630300   -1.74470900    0.97638200
 C                  5.56220700   -0.46786100   -1.06165500
 C                 -5.69231200   -0.04066900   -2.44339900
 C                 -4.23768600    2.61476200   -1.96870900
 C                 -5.56420300    1.16401700    0.37959900
 C                 -4.55110000   -2.68845600    1.03868400
 C                 -3.93220900   -3.37781100   -1.87549300
 C                 -1.71216300   -3.60120900    0.19745100
 H                 -1.63197400   -2.13564800    4.58938700
 H                 -0.44213500   -2.31447700    3.29631200
 H                 -2.16034100   -2.55565500    2.95866800
 H                 -0.64115500    0.43483600    5.40409300
 H                 -0.67748300    1.88211900    4.39093900
 H                  0.57184400    0.65882800    4.13498900
 H                 -4.12765600   -0.09372900    2.90848900
 H                 -3.56465200    1.46664700    3.49914100
 H                 -3.66711100    0.09049400    4.60688400
 H                  0.76235000    4.46864500    1.94501600
 H                  1.55659800    3.00734500    1.35415500
 H                  0.70659000    2.98314300    2.90436800
 H                 -2.44597600    3.40777200    2.89625800
 H                 -3.33404300    3.48409700    1.36934100
 H                 -2.26704700    4.81217800    1.84022100
 H                 -0.78095000    4.76575000   -0.67749400
 H                 -1.58830300    3.37966800   -1.41970000
 H                  0.17419700    3.38735100   -1.22347000
 H                  4.33266300    1.56492400    1.17459700
 C                  4.40314800    3.45085700    0.14545900
 C                  3.04924900    3.61854200   -1.83949400
 H                  1.89745500    1.87556300   -2.33927100
 H                  4.85218400   -2.18963300    1.77444700
 C                  6.82338100   -1.86513400    0.98846400
 C                  6.94638400   -0.59850200   -1.05615600
 H                  5.07213500    0.07496000   -1.86069100
 H                 -6.08316400   -0.95753500   -1.99483400
 H                 -5.15469600   -0.31576300   -3.35486700
 H                 -6.54808900    0.57904400   -2.73183300
 H                 -5.17959100    3.07728100   -2.28284700
 H                 -3.58397600    2.55902600   -2.84308400
 H                 -3.77082500    3.27942800   -1.23857400
 H                 -6.46669200    1.75452200    0.18836800
 H                 -4.96825100    1.69288600    1.12741200
 H                 -5.87420600    0.21242200    0.81920200
 H                 -5.48146700   -2.21777900    0.70843300
 H                 -4.24601300   -2.20320300    1.96774600
 H                 -4.77155100   -3.73735700    1.26374500
 H                 -4.18949100   -4.42249900   -1.66862200
 H                 -3.20782800   -3.36896700   -2.69340700
 H                 -4.83626300   -2.87387700   -2.22378700
 H                 -1.14387300   -3.14146200    1.00625500
 H                 -1.03436200   -3.73099000   -0.64961600
 H                 -2.02790500   -4.59666500    0.52765700
 H                  5.09655800    3.89270800    0.85250200
 C                  3.94603300    4.19504800   -0.94189400
 H                  2.68455500    4.18909000   -2.68659300
 H                  7.30939800   -2.40872600    1.79135100
 C                  7.58470400   -1.29353900   -0.02886100
 H                  7.53014300   -0.15635200   -1.85617300
 H                  4.28172700    5.21581600   -1.08504000
 H                  8.66435600   -1.39233500   -0.02482300
 
97
Compound 14a, B3LYP(D3)/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-5571.96365 a.u.
Si                -1.88635900   -0.34696400   -0.59780400
 Si                -0.47425900    0.94730600    0.86406700
 C                  1.34046900    0.82182400    0.23535900
 C                  2.16630500   -0.22369800    0.45551300
 Ge                 2.22395800   -1.94949000    1.48687700
 Si                 0.89469300   -3.31708100   -0.11098000
 C                  2.12416900   -4.19105900   -1.28708400
 C                  0.01771900   -4.70146300    0.86808000
 Si                -0.67858500   -2.20466000   -1.49182500
 C                  0.27790000   -1.62553700   -3.03777700
 C                 -1.91470200   -3.53683700   -2.07241000
 Si                -1.15914900    3.23977900    1.00162800
 C                 -0.93114500    4.23948300   -0.58730200
 C                 -0.19753100    4.12062200    2.38019300
 C                 -2.99300000    3.34914300    1.47218200
 Si                -0.45963000    0.21497500    3.13810000
 C                  1.08869900    0.92730600    3.96586200
 C                 -0.39098200   -1.67744800    3.33050700
 C                 -1.96777500    0.81019900    4.11914700
 C                  3.54794300   -0.28660300   -0.11742700
 C                  3.75712300   -0.70830600   -1.44186500
 C                  5.04183200   -0.79258000   -1.96795900
 C                  6.14509500   -0.47098100   -1.17849400
 C                  5.95687500   -0.06967700    0.14276900
 C                  4.67291600    0.01113900    0.67337400
 C                  1.86893800    1.99826100   -0.52779600
 C                  1.70785600    2.10601500   -1.91201300
 C                  2.20075400    3.20677400   -2.60843300
 C                  2.86892500    4.22331300   -1.92910900
 C                  3.04959200    4.12197600   -0.55037400
 C                  2.55655100    3.01884600    0.14162600
 Si                -2.69534600    0.80269600   -2.53998300
 C                 -3.41434700   -0.44820700   -3.77628700
 C                 -1.38212600    1.75832400   -3.51613100
 C                 -4.08661300    2.01672900   -2.10817000
 Si                -3.87363800   -1.15859000    0.45650800
 C                 -5.07477100   -1.87317300   -0.82694600
 C                 -4.83251700    0.20800400    1.35272500
 C                 -3.54835500   -2.53535300    1.71902500
 H                  2.71104000   -3.47632200   -1.86779900
 H                  2.82280200   -4.81202600   -0.71822100
 H                  1.59021400   -4.84311400   -1.98618500
 H                  0.74735800   -5.30006000    1.42209300
 H                 -0.70476700   -4.31094400    1.58805300
 H                 -0.51759500   -5.36959400    0.18570600
 H                  0.92175600   -0.77549000   -2.80702200
 H                  0.90666000   -2.43238000   -3.42561300
 H                 -0.40383600   -1.32035700   -3.83476400
 H                 -1.38180500   -4.35421300   -2.56883700
 H                 -2.46753900   -3.96135400   -1.23097000
 H                 -2.63762700   -3.12671300   -2.78135100
 H                 -1.57586300    3.87915800   -1.39099400
 H                 -1.20762400    5.28027700   -0.38506700
 H                  0.09974000    4.22624400   -0.94345200
 H                 -0.40475200    3.68281100    3.35948900
 H                 -0.50189700    5.17226700    2.41555500
 H                  0.88058600    4.09113900    2.21270900
 H                 -3.28413500    4.40454600    1.51134400
 H                 -3.64101500    2.85304400    0.74876700
 H                 -3.19709700    2.91325500    2.45184500
 H                  1.07267200    2.01891900    3.98573100
 H                  1.16074100    0.57012500    4.99871500
 H                  1.99157600    0.61440300    3.43634000
 H                 -0.86594300   -2.20876000    2.50711700
 H                 -0.89308300   -1.98593900    4.25371900
 H                  0.64537000   -2.02972000    3.42140600
 H                 -2.05636900    1.89861300    4.12011700
 H                 -2.90336900    0.39254500    3.74149600
 H                 -1.85700700    0.48538600    5.15942100
 H                  2.90132300   -0.95220100   -2.05667200
 H                  5.18153900   -1.10677200   -2.99623600
 H                  7.14592500   -0.53580400   -1.58999100
 H                  6.81084300    0.18105600    0.76188000
 H                  4.52652100    0.33006500    1.69883000
 H                  1.18975200    1.32081300   -2.44422400
 H                  2.05889500    3.26947800   -3.68171700
 H                  3.24966000    5.08315900   -2.46832800
 H                  3.57780800    4.90170600   -0.01259500
 H                  2.70851800    2.93608900    1.21174600
 H                 -4.21684600   -1.05619500   -3.35780600
 H                 -3.82262200    0.10306400   -4.63068100
 H                 -2.64683200   -1.12464700   -4.15862300
 H                 -1.87672600    2.27225900   -4.34798300
 H                 -0.63712300    1.08213100   -3.94177500
 H                 -0.85864500    2.50687100   -2.92230500
 H                 -4.47716400    2.46019800   -3.03045400
 H                 -4.91765100    1.52011300   -1.60156200
 H                 -3.74148900    2.83230400   -1.46972300
 H                 -4.63158300   -2.66681600   -1.43140800
 H                 -5.93637700   -2.29573200   -0.29828000
 H                 -5.44960100   -1.09916900   -1.50053600
 H                 -4.22529900    0.73573800    2.08815000
 H                 -5.68566000   -0.23721100    1.87629900
 H                 -5.22278300    0.95152300    0.65393000
 H                 -2.91406200   -3.33061500    1.31958300
 H                 -3.08284400   -2.15453200    2.62956500
 H                 -4.50629300   -2.98557700    2.00083300

97
Compound 15a, B3LYP(D3)/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-5571.96995 a.u.
Si                 2.59990400    0.12719100    0.02173900
 Si                 0.49922100   -0.63781300   -0.90287900
 Ge                -1.07036300    0.06919200    0.80207000
 C                 -2.97162600   -0.34581900    0.53169800
 C                 -2.75527200    0.95025100    0.32966800
 Si                 2.01142500    1.39675000    1.97064700
 C                  1.58189000    3.17079500    1.41812900
 C                  3.42350700    1.48081900    3.24260100
 Si                 0.00593500    0.54098000    2.88891200
 C                 -0.94795700    1.85561400    3.87040700
 C                  0.25382800   -1.00614700    3.96029000
 Si                -0.20159700    0.49004200   -2.86744500
 C                 -0.41727200    2.33455600   -2.48870600
 C                 -1.90545200   -0.11344800   -3.43586700
 C                  1.03354400    0.22484000   -4.28084100
 Si                 0.02448200   -2.98034800   -0.93748800
 C                 -0.42102500   -3.58630200    0.80400400
 C                  1.40551900   -4.07707200   -1.63063300
 C                 -1.51541600   -3.27913500   -1.99695300
 C                 -3.99962000   -1.36844000    0.44871100
 C                 -4.89097300   -1.41052900   -0.63820000
 C                 -5.83159300   -2.42981500   -0.74509500
 C                 -5.90908300   -3.42097600    0.23257200
 C                 -5.02850600   -3.39168500    1.31429100
 C                 -4.07557700   -2.38453100    1.41500100
 C                 -3.47067100    2.18543300    0.05482700
 C                 -2.78173200    3.40833400    0.08063600
 C                 -3.44430400    4.60751200   -0.15922100
 C                 -4.81270800    4.60828200   -0.42460900
 C                 -5.51425100    3.40146300   -0.44182900
 C                 -4.85382000    2.20204100   -0.20501800
 Si                 4.06599400   -1.65917900    0.60308400
 C                  4.63475700   -2.60193100   -0.94439300
 C                  3.24335600   -2.86237800    1.81072700
 C                  5.64202500   -1.02536200    1.44827100
 Si                 3.94307200    1.57543000   -1.32229200
 C                  5.21760000    2.40099400   -0.18183700
 C                  3.03906100    2.99610700   -2.18872400
 C                  4.88472800    0.61013100   -2.65616200
 H                  1.23749100    3.76716800    2.26844600
 H                  2.44448300    3.67826500    0.97940200
 H                  0.78356900    3.16029400    0.67075700
 H                  3.15413200    2.15999600    4.05762500
 H                  3.62520600    0.49929900    3.67882800
 H                  4.34859600    1.84708600    2.79012000
 H                 -1.93553300    1.48253500    4.15653400
 H                 -0.41043600    2.12866000    4.78392700
 H                 -1.09354500    2.75978200    3.27487600
 H                  0.85968700   -0.77235200    4.84149800
 H                 -0.70835800   -1.39521500    4.30542300
 H                  0.75603000   -1.80203900    3.40708200
 H                 -0.32946800    2.92945300   -3.40381500
 H                 -1.41466600    2.49908500   -2.07648500
 H                  0.30679900    2.71736600   -1.76992400
 H                 -1.87940100   -1.10867600   -3.88128200
 H                 -2.29498700    0.58377000   -4.18580900
 H                 -2.60942300   -0.13271000   -2.59993600
 H                  0.71251200    0.76330800   -5.17895600
 H                  2.03601600    0.57210300   -4.02201800
 H                  1.10567900   -0.83681300   -4.53580100
 H                 -1.41480100   -3.22269600    1.07401200
 H                 -0.45100200   -4.68123800    0.81349500
 H                  0.27670800   -3.26326800    1.57763000
 H                  1.76775300   -3.71677900   -2.59745500
 H                  1.01264400   -5.08900400   -1.77873900
 H                  2.26059400   -4.14913300   -0.95669400
 H                 -1.85179100   -4.31022600   -1.84252700
 H                 -2.33884500   -2.61808700   -1.71930100
 H                 -1.31129800   -3.15015400   -3.06220900
 H                 -4.82251800   -0.65195800   -1.40923000
 H                 -6.50362800   -2.45283200   -1.59595300
 H                 -6.64293200   -4.21429800    0.14817200
 H                 -5.07848500   -4.16247800    2.07542600
 H                 -3.37777700   -2.36981900    2.24482900
 H                 -1.71889700    3.40016800    0.29300600
 H                 -2.89374600    5.54141800   -0.13832200
 H                 -5.33096300    5.54168000   -0.61327600
 H                 -6.58056700    3.39776300   -0.63978200
 H                 -5.40540100    1.27049700   -0.20679400
 H                  5.51817200   -2.12384100   -1.37321900
 H                  4.90680500   -3.63058500   -0.68616800
 H                  3.87068500   -2.64244100   -1.72115000
 H                  2.91992500   -2.34863600    2.72010900
 H                  3.95706200   -3.64030700    2.10203600
 H                  2.37447100   -3.35431000    1.37288300
 H                  6.23823300   -1.88344000    1.77787500
 H                  6.25869200   -0.44510100    0.75815500
 H                  5.43549300   -0.40552000    2.32252300
 H                  5.82655400    1.67980300    0.36581500
 H                  5.89154600    3.02464000   -0.77922500
 H                  4.73032900    3.04926700    0.55102700
 H                  2.36321900    2.65573400   -2.97347500
 H                  3.79222000    3.64158600   -2.65446200
 H                  2.46538200    3.60678000   -1.48866800
 H                  5.38200800    1.31280400   -3.33335100
 H                  5.65255700   -0.03381400   -2.22153300
 H                  4.22297300   -0.02100200   -3.25456100

97
Compound 16a, B3LYP(D3)/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-5571.97028 a.u.
Si                 1.76127300   -1.13963200    0.28221400
 Si                 1.39858400    1.20752500   -0.10211600
 Ge                -0.57628300    1.24896100   -1.68465200
 C                 -2.12988500    0.48042600   -0.66214700
 C                 -2.65276800   -0.76032600   -0.53185200
 Si                -1.80872500   -2.32982900   -1.20746500
 C                 -2.42577600   -2.64976900   -2.97993100
 C                 -2.32705600   -3.81071900   -0.14357200
 Si                 0.56674000   -2.32916000   -1.38450600
 C                  1.03937500   -1.72996200   -3.13349800
 C                  1.03827400   -4.17656200   -1.32414800
 C                 -2.87041800    1.74116100   -0.37216700
 C                 -4.11929700    2.01377200   -0.96573200
 C                 -4.74211200    3.23752500   -0.77520600
 C                 -4.13367200    4.23288900   -0.00225400
 C                 -2.89503400    3.99026900    0.57733800
 C                 -2.26699200    2.75778800    0.38830100
 C                 -3.98021400   -0.95281500    0.13108800
 C                 -4.20881000   -0.47402900    1.42998400
 C                 -5.44205700   -0.64336700    2.05178000
 C                 -6.48110800   -1.29357500    1.38911600
 C                 -6.27213300   -1.77448700    0.09807000
 C                 -5.03497800   -1.61134100   -0.51948000
 Si                 2.97652000    2.32597900   -1.52293900
 C                  4.43652200    3.14268200   -0.62457600
 C                  2.05989900    3.73571500   -2.40535900
 C                  3.71212600    1.19415500   -2.85063700
 Si                 1.43132900    2.56731300    1.86899900
 C                  1.14220200    4.36579400    1.33080000
 C                  3.13026700    2.46925000    2.70682400
 C                  0.16065500    2.20376000    3.23153300
 Si                 4.02701100   -1.87059900    0.18941900
 C                  5.18693500   -0.54416500    0.87901400
 C                  4.57977200   -2.31653800   -1.56869300
 C                  4.24563600   -3.44546900    1.22429300
 Si                 0.86236300   -1.81021100    2.37844100
 C                  1.96900100   -1.22188200    3.80333800
 C                  0.74619500   -3.69814800    2.52030900
 C                 -0.88743100   -1.12359800    2.58896800
 H                 -2.24274100   -1.78111600   -3.61823000
 H                 -1.90517400   -3.50592600   -3.42113500
 H                 -3.49665700   -2.86916200   -3.00527800
 H                 -3.41130500   -3.94408900   -0.17931900
 H                 -1.85744200   -4.72898200   -0.50697800
 H                 -2.04821600   -3.68138300    0.90439100
 H                  0.75042500   -0.69250000   -3.32964800
 H                  2.11726700   -1.80965100   -3.29387500
 H                  0.53781300   -2.35011100   -3.88277700
 H                  2.10836800   -4.30666500   -1.50453500
 H                  0.80449700   -4.62860700   -0.35895000
 H                  0.50088300   -4.73480800   -2.09728400
 H                 -4.59072600    1.24685700   -1.56705700
 H                 -5.70808900    3.42397100   -1.23131000
 H                 -4.62718000    5.18728900    0.14124700
 H                 -2.41345600    4.74973200    1.18309800
 H                 -1.32013200    2.55932700    0.86809100
 H                 -3.40882200    0.03688300    1.94909400
 H                 -5.59166600   -0.26403400    3.05679500
 H                 -7.44262600   -1.42411500    1.87261200
 H                 -7.07469300   -2.27554000   -0.43227100
 H                 -4.89509300   -1.97591500   -1.53006900
 H                  5.00756900    2.44492100   -0.00958200
 H                  5.11672000    3.56222900   -1.37398400
 H                  4.10629800    3.96389200    0.01594300
 H                  1.32999000    3.35960800   -3.12617500
 H                  2.78306800    4.35403700   -2.94847800
 H                  1.52947800    4.38198900   -1.70103900
 H                  4.18292300    1.80241300   -3.63025800
 H                  4.48295800    0.54739600   -2.42690700
 H                  2.95939100    0.56151800   -3.32573800
 H                  0.18564500    4.49055800    0.81658100
 H                  1.13826200    5.01680800    2.21165400
 H                  1.92686400    4.72077500    0.65922200
 H                  3.39744800    1.44402400    2.97090800
 H                  3.10995000    3.05708000    3.63124100
 H                  3.92453000    2.86506100    2.07354300
 H                  0.28680300    2.97087800    4.00418200
 H                 -0.87663400    2.24594400    2.89557400
 H                  0.31778200    1.23359000    3.70315100
 H                  4.89484400   -0.24054900    1.88759300
 H                  6.21441700   -0.92044200    0.92242900
 H                  5.18238500    0.34779500    0.24988900
 H                  4.09227900   -3.23209100   -1.91305400
 H                  5.66047900   -2.49484900   -1.57962900
 H                  4.36267100   -1.53180700   -2.29348600
 H                  4.00912600   -3.28571000    2.27867400
 H                  3.61134700   -4.25552000    0.85455700
 H                  5.28628700   -3.78197400    1.16275800
 H                  2.08869200   -0.13797700    3.82226900
 H                  1.53252500   -1.52594400    4.76089600
 H                  2.96690800   -1.66457100    3.73948100
 H                  0.08434900   -4.12215400    1.76257700
 H                  0.33143700   -3.95757200    3.50078400
 H                  1.71951900   -4.18397200    2.43089000
 H                 -1.18998700   -1.13858700    3.64104300
 H                 -0.97020700   -0.10179600    2.22073300
 H                 -1.60432900   -1.72322000    2.02629700

97
Compound 17a, B3LYP(D3)/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-5571.8831658 a.u.
 Ge                 0.29426900    0.28026300    0.91570000
 Si                -1.33201400   -1.38655500    0.18388100
 C                 -2.17633000    0.28491800   -0.23917100
 C                 -1.30779200    1.26270500    0.14776800
 Si                 2.26265100   -0.00640500   -0.54549700
 Si                 1.29023100   -1.01128700   -2.49383300
 Si                -0.56965800   -2.36247400   -1.84269300
 Si                 3.70874000   -1.57340000    0.55447700
 Si                 3.67389900    1.81832100   -1.21946700
 Si                 0.54725400    0.94953500    3.24478700
 Si                -2.43352800   -2.87044900    1.68290000
 C                 -1.54063000    2.72202100    0.14513200
 C                 -3.46688600    0.47484600   -0.94729200
 C                  2.81649900   -3.19737200    0.95985300
 C                  5.21444800   -2.01827800   -0.51684800
 C                  4.38472800   -0.88524700    2.18945800
 C                 -1.14577200   -4.03420200    2.44783000
 C                 -3.30512600   -1.93588200    3.08515300
 C                 -3.71904200   -3.93526700    0.77783900
 C                 -0.07287900   -4.19180100   -1.63965900
 C                 -1.91777700   -2.30851000   -3.18841600
 C                  0.64394900    0.36334700   -3.64750400
 C                  2.53752200   -2.05600800   -3.48860000
 C                  2.77959200    3.39470700   -1.78146000
 C                  4.87725300    2.34291400    0.15207000
 C                  4.71383200    1.23309900   -2.69903900
 C                 -1.06658200    1.76637600    3.80222700
 C                  0.88185000   -0.53838100    4.37315900
 C                  1.95341600    2.20608400    3.43009500
 C                 -3.55784600    1.30145100   -2.08033200
 C                 -4.75743300    1.44499700   -2.76960700
 C                 -5.90117000    0.77155100   -2.34258900
 C                 -5.82939400   -0.05333100   -1.22258000
 C                 -4.62452100   -0.20642600   -0.54127500
 C                 -0.50125100    3.60816600   -0.17128400
 C                 -0.69193400    4.98679100   -0.15111700
 C                 -1.92693500    5.51594800    0.21663700
 C                 -2.96573700    4.65097300    0.56055000
 C                 -2.77870600    3.27350000    0.52311500
 H                  3.48013000   -3.84505100    1.54325600
 H                  1.90714100   -3.04020400    1.54511500
 H                  2.54252300   -3.74125500    0.05289600
 H                  5.80746100   -2.78233200   -0.00169300
 H                  5.86849400   -1.15914300   -0.68715100
 H                  4.93058700   -2.42188800   -1.49182800
 H                  3.58616200   -0.64286300    2.89315200
 H                  5.02623200   -1.63637300    2.66353400
 H                  4.98299800    0.01633400    2.04315700
 H                 -0.62145800   -4.61436700    1.68396100
 H                 -0.39565400   -3.48700200    3.02489100
 H                 -1.63422200   -4.74282800    3.12538700
 H                 -3.79619800   -2.64546700    3.75985000
 H                 -4.06930800   -1.24907800    2.71202300
 H                 -2.59669000   -1.35110900    3.67729400
 H                 -3.25467500   -4.55881700    0.00859700
 H                 -4.21940500   -4.60414400    1.48672900
 H                 -4.48896400   -3.33118600    0.29114700
 H                 -0.95360400   -4.80135100   -1.41529400
 H                  0.36386700   -4.57579200   -2.56690800
 H                  0.65191600   -4.34804400   -0.83881400
 H                 -1.52835800   -2.69359400   -4.13660400
 H                 -2.77271000   -2.92947600   -2.90443800
 H                 -2.28732000   -1.29545700   -3.35923200
 H                  0.14623700   -0.07052900   -4.52037800
 H                  1.45713200    0.99744000   -4.01285300
 H                 -0.07904700    1.00367600   -3.13603600
 H                  2.90866800   -2.90496300   -2.90966100
 H                  2.05822200   -2.45327500   -4.38931600
 H                  3.39958200   -1.46290100   -3.80487800
 H                  3.49786200    4.03220100   -2.30895000
 H                  1.94754700    3.19962900   -2.46154200
 H                  2.40095700    3.96883400   -0.93269400
 H                  5.46470400    3.20142500   -0.19200900
 H                  5.58007400    1.54716500    0.41035700
 H                  4.35736000    2.64257600    1.06576100
 H                  4.09487000    1.05914300   -3.58320800
 H                  5.44729500    2.00495900   -2.95760900
 H                  5.26094400    0.31178400   -2.48799600
 H                 -0.99350900    2.05793900    4.85584700
 H                 -1.28143300    2.66319800    3.21673200
 H                 -1.92090500    1.09226500    3.70011800
 H                  1.02892700   -0.19665400    5.40367600
 H                  1.77238400   -1.09985200    4.08166200
 H                  0.03737300   -1.23282500    4.37414400
 H                  1.77021500    3.09174200    2.81532200
 H                  2.03275200    2.53456200    4.47217300
 H                  2.91921300    1.78674000    3.13820300
 H                 -2.67627700    1.83261300   -2.41876200
 H                 -4.79940300    2.08505700   -3.64423700
 H                 -6.83592200    0.88522600   -2.87983100
 H                 -6.71176500   -0.58264100   -0.87951200
 H                 -4.58302700   -0.85193700    0.32827500
 H                  0.46257800    3.20243700   -0.44728200
 H                  0.12617200    5.64714700   -0.41801300
 H                 -2.07717800    6.58931900    0.24359400
 H                 -3.92763900    5.05187100    0.86138400
 H                 -3.59262400    2.61456200    0.79765200

97
Compound 18a, B3LYP(D3)/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-5571.8862135 a.u.
 Ge                 1.45788500   -1.21273500   -0.00453900
 Si                -0.37765800    0.10439200    0.91725500
 C                  0.86386900    1.41986400    0.25396100
 C                  1.97872700    0.72608900   -0.12385300
 Si                -2.35178000   -0.16122300   -0.42287300
 Si                 0.61475800   -1.99375200   -2.14970800
 C                  0.30249700   -3.87223100   -2.06059800
 C                  1.80689200   -1.71960000   -3.61359500
 Si                -1.40938300   -0.79216700   -2.53667700
 C                 -0.98751500    0.73876400   -3.59103400
 C                 -2.57922000   -1.86361900   -3.59931900
 Si                 3.03436600   -2.70291500    1.08521700
 C                  2.15339400   -4.30046800    1.59958400
 C                  3.82228200   -1.91310800    2.61477200
 C                  4.41733600   -3.13956100   -0.13712000
 Si                -0.47378200    0.14188500    3.30453200
 C                  1.14737100    0.87955700    3.95494500
 C                 -0.64598700   -1.62557900    3.97264500
 C                 -1.89601900    1.17496100    4.01886100
 C                  3.30889400    1.26135900   -0.48271100
 C                  4.05998600    0.68864300   -1.52217100
 C                  5.32764200    1.16547000   -1.84445700
 C                  5.88950500    2.21096200   -1.11504900
 C                  5.16955900    2.77410500   -0.06167800
 C                  3.89666700    2.30886900    0.24955800
 C                  0.65785000    2.88320400    0.14488500
 C                  1.07186300    3.59549700   -0.99501300
 C                  0.84792200    4.96309700   -1.10895500
 C                  0.20691000    5.66120600   -0.08574400
 C                 -0.21895400    4.97204600    1.04721800
 C                 -0.00508200    3.59994600    1.15376300
 Si                -3.67442100   -1.95521100    0.45149800
 C                 -2.62369700   -3.50101000    0.78091200
 C                 -5.05773600   -2.46271500   -0.74426200
 C                 -4.51428300   -1.46599400    2.08371100
 Si                -3.73578000    1.78973800   -0.58123800
 C                 -5.38032900    1.36178000   -1.43520300
 C                 -2.93892400    3.18997800   -1.57514400
 C                 -4.15040900    2.46796500    1.14037000
 H                 -0.19184700   -4.22430800   -2.97150200
 H                  1.24891900   -4.41382100   -1.96984300
 H                 -0.32264100   -4.15190300   -1.21039500
 H                  2.75046300   -2.25269200   -3.46213700
 H                  1.35874600   -2.10168000   -4.53706900
 H                  2.03433800   -0.66282200   -3.76914300
 H                 -0.41208600    0.43931300   -4.47268800
 H                 -1.89767300    1.23156600   -3.94355200
 H                 -0.40095900    1.47580800   -3.03841900
 H                 -3.54094100   -1.36774700   -3.76026100
 H                 -2.12749100   -2.03560300   -4.58201000
 H                 -2.77577200   -2.84043900   -3.15115000
 H                  1.35224000   -4.11045300    2.31902500
 H                  1.71406600   -4.81385700    0.74030100
 H                  2.86542900   -4.98780600    2.06942400
 H                  4.31043400   -0.96509800    2.37402300
 H                  4.58265700   -2.58413900    3.02949800
 H                  3.08495400   -1.72462200    3.39875900
 H                  5.13461200   -3.82012100    0.33498300
 H                  4.03073200   -3.63468900   -1.03234400
 H                  4.96301200   -2.24717100   -0.45478600
 H                  1.24475200    1.93303800    3.68017300
 H                  1.17495600    0.81590300    5.04827400
 H                  2.02370500    0.35716200    3.56607800
 H                 -1.58472300   -2.09490200    3.66750300
 H                 -0.62507700   -1.61310400    5.06776500
 H                  0.17277100   -2.26431400    3.63148900
 H                 -1.89507900    1.08990900    5.11112900
 H                 -1.79702100    2.23575700    3.77410300
 H                 -2.87270900    0.84448900    3.65973000
 H                  3.63819000   -0.13404400   -2.08714600
 H                  5.87965000    0.71391400   -2.66164000
 H                  6.88077100    2.57695200   -1.35759100
 H                  5.60269500    3.57923800    0.52191400
 H                  3.34845900    2.75146600    1.07193200
 H                  1.57021500    3.06490500   -1.79693900
 H                  1.17221900    5.48609100   -2.00201400
 H                  0.03381700    6.72760800   -0.17547300
 H                 -0.72397100    5.50114100    1.84804800
 H                 -0.34754600    3.07573600    2.03809800
 H                 -1.75573700   -3.29229600    1.41098900
 H                 -3.22865800   -4.26238300    1.28535000
 H                 -2.26134700   -3.93676000   -0.15342300
 H                 -5.74273000   -1.63792000   -0.95256300
 H                 -5.64205600   -3.27647100   -0.30045400
 H                 -4.66587200   -2.81787000   -1.69956300
 H                 -5.07674300   -2.32061200    2.47566700
 H                 -3.79661700   -1.16403100    2.84983400
 H                 -5.22138100   -0.64349000    1.94618800
 H                 -5.98993600    0.67826400   -0.83863300
 H                 -5.96234100    2.27883200   -1.58001900
 H                 -5.23390700    0.90715900   -2.41899700
 H                 -1.96908800    3.48918800   -1.17311200
 H                 -3.59661800    4.06609500   -1.54596900
 H                 -2.79842800    2.91666500   -2.62299500
 H                 -4.63302200    1.72244600    1.77685400
 H                 -3.25491400    2.82039300    1.65692000
 H                 -4.83473200    3.31832200    1.04528300
 
 97
Compound 10a, B3LYP/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-5571.85727 a.u.
 Ge                 0.27677500   -0.00053300   -0.00941700
 Si                -1.03394400   -2.03784100    0.29607300
 Si                -1.08848600    2.00644600   -0.28428600
 C                  2.13165900   -0.11563000   -0.66362300
 C                  2.13091200    0.16593700    0.63858900
 Si                -3.21616900   -1.12105500    0.62164600
 Si                -0.91439500   -3.31818800   -1.71775100
 Si                -0.23081900   -3.31028800    2.14922400
 Si                -3.28362700    1.06098600   -0.35752700
 Si                -0.81658900    3.37613100    1.65302300
 Si                -0.47974700    3.19529800   -2.26205000
 C                  3.05381000   -0.42070600   -1.75128600
 C                  3.04919200    0.49936300    1.72132200
 C                 -4.58920200   -2.19695500   -0.15130600
 C                 -3.63208000   -0.96534100    2.47444800
 C                 -2.07904500   -4.81684100   -1.65785600
 C                  0.84723200   -3.95332600   -2.00223800
 C                 -1.41378900   -2.26404400   -3.21377700
 C                 -0.50144100   -2.41507700    3.80038300
 C                 -1.14646600   -4.97075300    2.24524300
 C                  1.62339700   -3.65558500    1.96716900
 C                 -4.57080900    2.11795100    0.57513700
 C                 -3.92657600    0.91356200   -2.14680200
 C                 -1.98871900    4.86875800    1.59790900
 C                  0.95622100    4.02883800    1.79273800
 C                 -1.20752500    2.39202200    3.22764200
 C                 -0.80709100    2.17658400   -3.82862300
 C                 -1.47913600    4.80305900   -2.41067400
 C                  1.36193100    3.63873600   -2.21760500
 C                  2.65329300   -0.26623100   -3.08807000
 C                  4.34722900   -0.91785000   -1.50066400
 C                  2.66557200    0.32161800    3.06014000
 C                  4.31975700    1.04936900    1.46409900
 H                 -4.59512800   -3.20011700    0.28516500
 H                 -4.47484300   -2.30173100   -1.23260400
 H                 -5.57050900   -1.74944600    0.03721400
 H                 -4.59899400   -0.46919600    2.60462300
 H                 -2.88163000   -0.38801800    3.01839300
 H                 -3.70129200   -1.95155200    2.94246000
 H                 -3.12412100   -4.51889900   -1.54366400
 H                 -1.83512000   -5.49668700   -0.83752400
 H                 -1.99487600   -5.38325700   -2.59205500
 H                  0.90118600   -4.48090600   -2.96091900
 H                  1.15475700   -4.65539900   -1.22267400
 H                  1.57488800   -3.13877200   -2.02793500
 H                 -1.32497700   -2.85465900   -4.13208000
 H                 -0.77264200   -1.38562500   -3.32291900
 H                 -2.44872200   -1.91951200   -3.14224900
 H                 -1.55889700   -2.37026000    4.06942200
 H                 -0.11999600   -1.39139900    3.78419200
 H                  0.02351000   -2.95197000    4.59803900
 H                 -0.83143000   -5.52157200    3.13823400
 H                 -0.93631000   -5.60112300    1.37736000
 H                 -2.22998600   -4.83461200    2.30356000
 H                  2.20490100   -2.73040500    1.95074200
 H                  1.85205100   -4.20748800    1.05223400
 H                  1.97310000   -4.25546100    2.81476700
 H                 -4.63728400    3.12303000    0.14836700
 H                 -4.34059000    2.21941400    1.63817400
 H                 -5.56184900    1.65977800    0.49233800
 H                 -4.90990000    0.43267600   -2.15271500
 H                 -3.26240800    0.32489200   -2.78269000
 H                 -4.04128800    1.90068100   -2.60443600
 H                 -3.03620200    4.56351500    1.54207800
 H                 -1.78505500    5.51859900    0.74289600
 H                 -1.86432600    5.46923100    2.50589200
 H                  1.06444100    4.60299000    2.71964600
 H                  1.21272100    4.69306600    0.96325500
 H                  1.68937100    3.21941800    1.81551800
 H                 -1.06337000    3.02795800    4.10789900
 H                 -0.54974200    1.52576600    3.33551700
 H                 -2.24103000    2.03646000    3.24326400
 H                 -1.87611400    2.04314300   -4.00752000
 H                 -0.35252600    1.18424800   -3.78026600
 H                 -0.38528400    2.69284900   -4.69788300
 H                 -1.22682600    5.31195600   -3.34747400
 H                 -1.26387500    5.49425200   -1.59181600
 H                 -2.55671400    4.61664700   -2.41480500
 H                  1.99001100    2.74669100   -2.15512100
 H                  1.60727500    4.27740700   -1.36558100
 H                  1.63765900    4.17947400   -3.12971500
 H                  1.65154000    0.09139700   -3.29381900
 C                  3.51876100   -0.56326900   -4.13597200
 C                  5.20497800   -1.22897600   -2.54916800
 H                  4.66827800   -1.07170300   -0.47769400
 H                  1.68052500   -0.07682300    3.27111400
 C                  3.52609400    0.64754900    4.10343000
 C                  5.17197800    1.38961300    2.50821000
 H                  4.62653200    1.22182100    0.43965800
 H                  3.19028600   -0.42659800   -5.16034700
 C                  4.79875900   -1.04622900   -3.87139600
 H                  6.19473700   -1.61743000   -2.33504300
 H                  3.21097900    0.49220800    5.12935100
 C                  4.78347100    1.18349600    3.83228600
 H                  6.14349200    1.81916600    2.28913600
 H                  5.47155900   -1.28628200   -4.68686400
 H                  5.45193000    1.44651500    4.64423200
 
97
Compound 11a, B3LYP/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-5571.83128 a.u.
 Si                -2.20182500   -0.91407700   -0.08900100
 C                 -1.49256600    0.87974400   -0.12569800
 C                 -0.29608700    1.22053000   -0.65523300
 Ge                 1.18780900    0.22469700   -1.57712200
 Si                 2.79418700   -0.31879200    0.19574300
 Si                -0.54733100   -2.63130100   -0.50010900
 C                 -0.33517300   -2.99078900   -2.36606600
 C                 -1.18972000   -4.27868500    0.22787300
 Si                 1.64114100   -2.42289500    0.48584300
 C                  2.63444600   -3.87625700   -0.25282100
 C                  1.44826100   -2.81574800    2.34207200
 Si                 4.88858300   -0.64008700   -0.91170300
 C                  5.74311400    1.03869100   -1.15371300
 C                  4.63739000   -1.39664400   -2.63341700
 C                  6.07993100   -1.75788600    0.05628000
 Si                 3.09334100    0.80596100    2.28240500
 C                  3.82749600    2.52805900    1.98234000
 C                  4.30696200   -0.13926400    3.39675900
 C                  1.46937900    1.00606300    3.24209100
 Si                -3.79784300   -1.07425600   -1.88678000
 C                 -4.27749100   -2.88102700   -2.23414200
 C                 -3.07036700   -0.33730200   -3.47703000
 C                 -5.42528200   -0.17151800   -1.50750500
 Si                -3.40524400   -1.40552700    1.94228900
 C                 -2.23867700   -1.49131000    3.43797500
 C                 -4.28784300   -3.08391100    1.80479800
 C                 -4.77687500   -0.15605500    2.33013300
 C                  0.17396700    2.61950000   -0.87824700
 C                  0.34042900    3.07677000   -2.20201700
 C                  0.85360600    4.34875100   -2.46604100
 C                  1.20854200    5.18901200   -1.41891500
 C                  1.04881100    4.75149700   -0.10105400
 C                  0.55170800    3.48330300    0.16629300
 C                 -2.39182200    1.98602800    0.35943100
 C                 -3.19855000    2.71091300   -0.52756000
 C                 -3.98431700    3.77204100   -0.08228400
 C                 -3.97673800    4.13650700    1.26190300
 C                 -3.17664300    3.42897400    2.15611300
 C                 -2.39900600    2.36279000    1.70928100
 H                 -0.00278500   -2.12194200   -2.93810800
 H                  0.40839400   -3.78208900   -2.50446300
 H                 -1.27319300   -3.34303100   -2.80246700
 H                 -2.16142300   -4.54320900   -0.19763600
 H                 -0.49341200   -5.08578600   -0.01990300
 H                 -1.29257200   -4.24716800    1.31415200
 H                  2.78839300   -3.77177100   -1.32843100
 H                  3.61663000   -3.95001900    0.22220000
 H                  2.11246100   -4.82270900   -0.07940000
 H                  2.42727300   -2.85948600    2.82684700
 H                  0.84119800   -2.07944400    2.87011700
 H                  0.97323200   -3.79396100    2.46435300
 H                  6.03785700    1.49079900   -0.20321500
 H                  6.65137800    0.91041300   -1.75280600
 H                  5.09843100    1.75156100   -1.67498600
 H                  4.20055100   -2.39679800   -2.58441400
 H                  5.60398700   -1.48185400   -3.14221900
 H                  3.98525500   -0.77889400   -3.25625400
 H                  7.03263400   -1.84006100   -0.47863900
 H                  6.29364300   -1.36220800    1.05250500
 H                  5.68183700   -2.76844900    0.17853500
 H                  3.20702100    3.12497200    1.31098600
 H                  3.91454500    3.06493900    2.93359600
 H                  4.82671300    2.46624700    1.54480100
 H                  3.95388500   -1.14701000    3.62873300
 H                  4.43200500    0.39514200    4.34529700
 H                  5.29435900   -0.22879000    2.93654600
 H                  1.11445800    0.05039800    3.63415000
 H                  1.62370300    1.67592100    4.09518600
 H                  0.67595100    1.42628000    2.62119600
 H                 -4.71227800   -3.36398900   -1.35514900
 H                 -5.03243600   -2.90562700   -3.02791300
 H                 -3.43470300   -3.49061600   -2.56649700
 H                 -2.79611500    0.71277300   -3.34656400
 H                 -3.80586700   -0.39199500   -4.28707500
 H                 -2.17539500   -0.87322600   -3.80235400
 H                 -5.98498300   -0.67856000   -0.71690900
 H                 -5.27196600    0.86330100   -1.19577600
 H                 -6.05564000   -0.16616700   -2.40381900
 H                 -1.50052500   -2.28975900    3.32788600
 H                 -1.69607200   -0.55446100    3.58996100
 H                 -2.81244900   -1.69394300    4.34887400
 H                 -5.05390300   -3.07630900    1.02451100
 H                 -4.79653000   -3.28790700    2.75373800
 H                 -3.61349000   -3.91764400    1.60586300
 H                 -4.39493000    0.84361000    2.53592800
 H                 -5.49341100   -0.07274400    1.50984700
 H                 -5.32309500   -0.50187100    3.21524300
 H                  0.01905200    2.44874000   -3.02514000
 H                  0.95963500    4.68026600   -3.49291800
 H                  1.60007600    6.17958100   -1.62026300
 H                  1.31433200    5.40631600    0.72164900
 H                  0.43335600    3.15679400    1.19055900
 H                 -3.19357200    2.45339100   -1.58014800
 H                 -4.59621300    4.32030700   -0.79036200
 H                 -4.58354000    4.96555800    1.60791000
 H                 -3.15566100    3.70670500    3.20450800
 H                 -1.77740400    1.82218400    2.41486600
 
97
Compound 12a, B3LYP/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-5571.87488 a.u.
 Ge                -0.30364200   -0.14958900    0.58580500
 Si                -2.59713100   -0.05523900   -0.36431200
 Si                 1.78855500   -1.26720000   -0.03240400
 C                  2.18113800    0.60612600   -0.18009600
 C                  1.03566200    1.28362500    0.11492500
 Si                -3.41588400    0.41441600    1.84479400
 C                 -4.92043000   -0.59350500    2.43563400
 C                 -3.82868600    2.24979100    2.14177400
 Si                -1.32779500   -0.19204400    2.82018700
 C                 -0.66003200    0.94327400    4.19450400
 C                 -1.33834800   -1.96619400    3.51361400
 Si                -2.98399700    1.59805000   -2.04543200
 C                 -4.69571600    1.35260600   -2.83516400
 C                 -1.67807700    1.45662900   -3.41131700
 C                 -2.93407800    3.35866100   -1.35347300
 Si                -3.42705100   -2.16325400   -1.11237600
 C                 -2.84788600   -2.55278900   -2.87752000
 C                 -5.32580300   -2.16186000   -1.12794600
 C                 -2.87679200   -3.57451200    0.03072500
 Si                 3.05361700   -2.25720400    1.73026200
 C                  4.88574400   -2.40003600    1.25856100
 C                  2.39048900   -3.98899700    2.13429300
 C                  2.93913300   -1.17883900    3.28500400
 Si                 1.89684700   -2.53509800   -2.05048800
 C                  0.85683700   -4.10891900   -1.85110600
 C                  3.66728500   -3.09411600   -2.45257600
 C                  1.24853700   -1.52656500   -3.51761700
 C                  3.51562700    1.20642600   -0.43104000
 C                  4.06101400    2.15510700    0.45005200
 C                  5.32947800    2.68544400    0.23661400
 C                  6.08316200    2.28839400   -0.86685600
 C                  5.55807000    1.34769200   -1.75027500
 C                  4.29471300    0.80635700   -1.52736900
 C                  0.84363500    2.74924700    0.07336200
 C                  0.21138500    3.42763200    1.12678300
 C                  0.03198900    4.80779500    1.09150300
 C                  0.45802700    5.54196600   -0.01361600
 C                  1.06852500    4.88161500   -1.07881200
 C                  1.26343200    3.50473400   -1.03513700
 H                 -5.81078700   -0.34712600    1.84941500
 H                 -4.75602900   -1.67101000    2.36119500
 H                 -5.13974200   -0.36174900    3.48299300
 H                 -4.72450700    2.54147600    1.58531700
 H                 -4.02758500    2.42370600    3.20434900
 H                 -3.01682800    2.91345500    1.83681800
 H                  0.39370700    0.73877500    4.40399000
 H                 -0.75302900    2.00229200    3.94505300
 H                 -1.22305900    0.77118800    5.11800700
 H                 -0.34265400   -2.25688100    3.86124900
 H                 -2.02070500   -2.03468900    4.36712400
 H                 -1.65911500   -2.69816800    2.76936300
 H                 -5.49759300    1.39887500   -2.09290100
 H                 -4.87755900    2.14777900   -3.56678900
 H                 -4.77889600    0.39777200   -3.36075300
 H                 -1.85966600    2.21492300   -4.18097100
 H                 -1.69650200    0.47834400   -3.89828200
 H                 -0.67244300    1.61758900   -3.01515800
 H                 -3.07964700    4.07297000   -2.17154000
 H                 -3.72627700    3.52819500   -0.62037300
 H                 -1.97848300    3.58925500   -0.87856800
 H                 -1.75958100   -2.56968400   -2.96472200
 H                 -3.22117900   -3.53606300   -3.18402900
 H                 -3.22772600   -1.81915000   -3.59388600
 H                 -5.73870900   -2.03001800   -0.12495100
 H                 -5.69153000   -3.12000500   -1.51390200
 H                 -5.73174700   -1.37192700   -1.76422000
 H                 -1.78928800   -3.64595500    0.10819200
 H                 -3.27666900   -3.44532400    1.04019900
 H                 -3.24671700   -4.53284300   -0.34947300
 H                  5.30752300   -1.42603000    0.99668100
 H                  5.45899000   -2.79751600    2.10348400
 H                  5.04080900   -3.06885900    0.40833500
 H                  1.33444700   -3.96154000    2.41665200
 H                  2.94761800   -4.42388900    2.97108500
 H                  2.49021200   -4.67022900    1.28452300
 H                  3.54200800   -1.60940500    4.09172400
 H                  3.31039600   -0.16870300    3.09271100
 H                  1.91080200   -1.09497900    3.64426700
 H                 -0.19214000   -3.88860100   -1.64385000
 H                  0.89756900   -4.70567000   -2.76866600
 H                  1.23216400   -4.73285700   -1.03516200
 H                  4.36964000   -2.26032100   -2.52521500
 H                  3.67615200   -3.62254500   -3.41235700
 H                  4.04947800   -3.78302100   -1.69476300
 H                  1.22093200   -2.14549900   -4.42088400
 H                  0.23989100   -1.14805400   -3.33940000
 H                  1.88822000   -0.66457500   -3.72567000
 H                  3.48196700    2.47254400    1.30898400
 H                  5.73037200    3.41272300    0.93428400
 H                  7.07030800    2.70433200   -1.03381000
 H                  6.13412100    1.03085100   -2.61294500
 H                  3.89698800    0.07454300   -2.22082700
 H                 -0.12548100    2.86502200    1.98908700
 H                 -0.44636700    5.30913600    1.92590500
 H                  0.31004100    6.61536500   -0.04744200
 H                  1.39671200    5.44138400   -1.94785100
 H                  1.74526500    3.00253100   -1.86517500

 97
Compound 13a, B3LYP/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-5571.87631 a.u.
Ge                 0.66637400   -0.42788200   -0.31105600
 Si                 2.07308500   -2.32387100    0.20171600
 Si                -1.18329200    0.51859700    1.01739900
 Si                -0.82103800   -0.37465900   -2.25587800
 C                  2.59575300    0.20065500   -0.32927000
 C                  3.32740100   -0.91818900   -0.06044700
 C                  2.07821000   -3.07649400    1.93891700
 C                  2.24820600   -3.73155400   -1.04983800
 Si                -2.66787400   -0.28562100   -0.72710300
 Si                -1.61796700   -0.23983100    3.25089400
 Si                -0.92360200    2.90121600    1.15833300
 C                 -0.66023200    1.13979100   -3.39607900
 C                 -0.70239300   -1.88353500   -3.40890000
 C                  3.12767900    1.56013400   -0.56543200
 C                  4.80664200   -1.03987600   -0.07748300
 H                  1.21954200   -3.74007100    2.07522900
 H                  2.04277200   -2.30790100    2.71437400
 H                  2.98062300   -3.67699000    2.09357500
 H                  3.19822500   -4.25615100   -0.90326100
 H                  2.22401800   -3.36001600   -2.07666900
 H                  1.44328800   -4.46289100   -0.93219700
 Si                -4.58980700    1.01844400   -1.30460300
 Si                -3.37421200   -2.55480900   -0.41685200
 C                 -1.52715700   -2.11784900    3.49606900
 C                 -0.38916500    0.51593200    4.48621500
 C                 -3.36546100    0.30126300    3.76272000
 C                  0.62119800    3.31574900    2.17680700
 C                 -2.41836000    3.71283500    2.00790400
 C                 -0.68371200    3.74122800   -0.52172400
 H                  0.25687600    1.06964600   -3.98969700
 H                 -0.64507000    2.08555000   -2.85459100
 H                 -1.50130200    1.16411700   -4.09687700
 H                 -1.50814800   -1.86962900   -4.14987800
 H                 -0.75215800   -2.83171000   -2.87144300
 H                  0.24715400   -1.85774500   -3.95324700
 C                  4.02144700    2.15211000    0.34267600
 C                  2.74458100    2.30294900   -1.69254700
 C                  5.47780300   -1.69760700    0.96612200
 C                  5.57251500   -0.55901900   -1.15200500
 C                 -5.57033300    0.19303500   -2.70635800
 C                 -4.16370800    2.76806600   -1.89920100
 C                 -5.74374900    1.19096900    0.19248300
 C                 -4.71872200   -2.70469700    0.91595300
 C                 -4.10252900   -3.26126600   -2.02310600
 C                 -1.92440600   -3.68953000    0.04515700
 H                 -1.72043900   -2.33952500    4.55171800
 H                 -0.54269800   -2.52129400    3.25093000
 H                 -2.27176600   -2.65551500    2.90712400
 H                 -0.53671500    0.05671700    5.46983900
 H                 -0.53185600    1.59266700    4.60219400
 H                  0.64992600    0.34513100    4.19231000
 H                 -4.13181300   -0.13357200    3.11569600
 H                 -3.48474800    1.38665100    3.73160800
 H                 -3.57068000   -0.02737100    4.78759800
 H                  0.71697000    4.40475400    2.25399600
 H                  1.52668500    2.94105300    1.69341100
 H                  0.58640500    2.91214500    3.18997100
 H                 -2.52425700    3.38833300    3.04622900
 H                 -3.35934600    3.49978500    1.49407100
 H                 -2.28505200    4.80033000    2.01626900
 H                 -0.61017100    4.82389700   -0.36940100
 H                 -1.50665300    3.55935200   -1.21356600
 H                  0.24599600    3.41498700   -0.99279000
 H                  4.32552200    1.59752800    1.22241800
 C                  4.51756800    3.43366600    0.12520100
 C                  3.25577000    3.57817900   -1.91913600
 H                  2.05182100    1.86809600   -2.40398500
 H                  4.90921800   -2.07802800    1.80764600
 C                  6.86186600   -1.84799000    0.94938300
 C                  6.95388600   -0.72169900   -1.17532000
 H                  5.07499000   -0.06001800   -1.97481800
 H                 -6.01984300   -0.75208500   -2.39348100
 H                 -4.94893000   -0.00599500   -3.58376600
 H                 -6.38392600    0.85637800   -3.01988100
 H                 -5.08076800    3.26462300   -2.23517900
 H                 -3.46533400    2.76103400   -2.73976700
 H                 -3.73200800    3.38103300   -1.10544900
 H                 -6.61930400    1.79139700   -0.07811200
 H                 -5.24812300    1.68624500    1.03168600
 H                 -6.10391200    0.22199700    0.54712100
 H                 -5.63057800   -2.17837900    0.62038600
 H                 -4.40080500   -2.30001700    1.87925900
 H                 -4.98096600   -3.75760300    1.06664200
 H                 -4.35794900   -4.31561900   -1.86778000
 H                 -3.39167500   -3.21337200   -2.85144800
 H                 -5.01252600   -2.74506800   -2.33477700
 H                 -1.37561100   -3.33892100    0.91985300
 H                 -1.21485200   -3.77421400   -0.78166600
 H                 -2.29934600   -4.69552500    0.26370100
 H                  5.20235600    3.87196300    0.84295800
 C                  4.14222400    4.15110000   -1.00937200
 H                  2.95511000    4.12750500   -2.80468500
 H                  7.35825700   -2.34858700    1.77368300
 C                  7.60647800   -1.36256200   -0.12327200
 H                  7.52345700   -0.34607300   -2.01847000
 H                  4.53276400    5.14786700   -1.18039600
 H                  8.68346200   -1.48595600   -0.14181100
 
97
Compound 14a, B3LYP/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-5571.81679 a.u.
Si                -1.93295000   -0.36772600   -0.56392100
 Si                -0.43708000    0.99201500    0.82099100
 C                  1.37533200    0.86022700    0.14620100
 C                  2.18842700   -0.19529500    0.37915700
 Ge                 2.20459400   -1.90205800    1.44033300
 Si                 0.85515200   -3.35146700   -0.07447300
 C                  2.05972000   -4.29956700   -1.22145400
 C                  0.03940500   -4.68431400    1.02449700
 Si                -0.76701200   -2.28324000   -1.45255100
 C                  0.15156200   -1.77803500   -3.04994100
 C                 -2.01682400   -3.63068500   -1.97765400
 Si                -1.12194700    3.31249700    0.93511400
 C                 -0.97682200    4.29252000   -0.67987800
 C                 -0.10070600    4.25100900    2.23485700
 C                 -2.93638100    3.45487900    1.47785400
 Si                -0.34400800    0.35621200    3.15182400
 C                  1.22782000    1.08818600    3.92296400
 C                 -0.29231200   -1.51834600    3.48524300
 C                 -1.81590800    1.01111600    4.15882200
 C                  3.57598400   -0.32602500   -0.16821300
 C                  3.80553500   -0.66917200   -1.51410100
 C                  5.09696100   -0.84514000   -1.99698300
 C                  6.19337200   -0.70032500   -1.14635300
 C                  5.98811800   -0.38219700    0.19267400
 C                  4.69496500   -0.20903500    0.68137300
 C                  1.92625100    2.02532300   -0.62852000
 C                  1.70959300    2.16434700   -2.00428100
 C                  2.25426700    3.23177800   -2.71524000
 C                  3.02610600    4.18962200   -2.06155700
 C                  3.25291200    4.06477500   -0.69239600
 C                  2.71022300    2.99402000    0.01445000
 Si                -2.81955900    0.72827100   -2.53343800
 C                 -3.58494200   -0.54614600   -3.72154100
 C                 -1.53838000    1.65947600   -3.57906800
 C                 -4.19947300    1.96479200   -2.11234100
 Si                -3.92169100   -1.13593000    0.57011000
 C                 -5.17396200   -1.86469600   -0.66087000
 C                 -4.85311400    0.25609900    1.46194100
 C                 -3.59920900   -2.49759700    1.85402400
 H                  2.62276600   -3.63366900   -1.87864900
 H                  2.78192200   -4.86766600   -0.62688300
 H                  1.51466700   -5.01378700   -1.84761800
 H                  0.80048300   -5.21414600    1.60616900
 H                 -0.68413700   -4.26979400    1.73012300
 H                 -0.48191500   -5.42500400    0.40967200
 H                  0.86481000   -0.97079000   -2.87260100
 H                  0.70443100   -2.63256900   -3.45200500
 H                 -0.54419700   -1.44383900   -3.82320300
 H                 -1.48605700   -4.45091300   -2.47259200
 H                 -2.55363700   -4.05318200   -1.12512400
 H                 -2.75561000   -3.24237200   -2.68299700
 H                 -1.62631200    3.89894600   -1.46412700
 H                 -1.29013000    5.32422500   -0.48327100
 H                  0.04341200    4.32000600   -1.06445800
 H                 -0.24362900    3.85577700    3.24297100
 H                 -0.42320400    5.29817800    2.24473600
 H                  0.96774300    4.23761000    2.01061800
 H                 -3.20104800    4.51699400    1.52958100
 H                 -3.62192000    2.98016600    0.77392000
 H                 -3.12161700    3.02217200    2.46237800
 H                  1.23942100    2.17931600    3.88420100
 H                  1.29163400    0.78985200    4.97528900
 H                  2.12473500    0.72317300    3.41783600
 H                 -0.90282300   -2.10480800    2.79939600
 H                 -0.65421700   -1.71658100    4.50059300
 H                  0.73323100   -1.90830300    3.45416800
 H                 -1.90264400    2.09892100    4.12607300
 H                 -2.76984100    0.58564100    3.83929900
 H                 -1.66652900    0.72569800    5.20621600
 H                  2.96124700   -0.78296300   -2.18164200
 H                  5.24961000   -1.09521300   -3.04097800
 H                  7.19928900   -0.83813200   -1.52633400
 H                  6.83348600   -0.26784100    0.86180100
 H                  4.54333900    0.04997900    1.72259400
 H                  1.11303400    1.42533900   -2.52295700
 H                  2.07526100    3.31250400   -3.78194700
 H                  3.45006400    5.02104600   -2.61318600
 H                  3.85898400    4.79894500   -0.17257900
 H                  2.90400900    2.89656800    1.07665200
 H                 -4.38752000   -1.13165500   -3.27128000
 H                 -4.00840200   -0.00713100   -4.57675500
 H                 -2.84115900   -1.24391100   -4.11273400
 H                 -2.05396900    2.11943600   -4.42976800
 H                 -0.78058000    0.98352400   -3.98201100
 H                 -1.02783700    2.45254400   -3.03210900
 H                 -4.58510300    2.39883600   -3.04154600
 H                 -5.03992600    1.49050900   -1.59966500
 H                 -3.84800500    2.78858400   -1.48760100
 H                 -4.77491600   -2.69958000   -1.24000900
 H                 -6.03404000   -2.23710700   -0.09288100
 H                 -5.54627800   -1.11327000   -1.36060400
 H                 -4.24805300    0.76245700    2.21500500
 H                 -5.72688800   -0.16976600    1.96793000
 H                 -5.21464000    1.01574700    0.76487500
 H                 -3.02750800   -3.33523500    1.44672000
 H                 -3.07134900   -2.12327900    2.73291100
 H                 -4.56272400   -2.89271700    2.19460700

97
Compound 15a, B3LYP/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-5571.84329 a.u.
Si                 2.57930300   -0.00384200    0.29751700
 Si                 0.59150200    0.11215500   -1.11408900
 Ge                -1.13130300    0.03571700    0.62240300
 C                 -2.92041500   -0.73967200    0.32527600
 C                 -3.00087900    0.58817200    0.33088000
 Si                 1.92341300    1.05941000    2.36479200
 C                  1.73267400    2.94468800    2.16460200
 C                  3.16647300    0.83240000    3.79271600
 Si                -0.23946600    0.22789800    2.86482300
 C                 -1.27972700    1.44517800    3.88950700
 C                 -0.21704000   -1.44182900    3.77707300
 Si                 0.31349800    2.15690300   -2.34724200
 C                  0.52362500    3.72064700   -1.29560100
 C                 -1.43916100    2.25205300   -3.06775000
 C                  1.53898500    2.26746700   -3.79648600
 Si                 0.25726300   -1.68867900   -2.68293200
 C                 -0.73386000   -3.12699000   -1.95203700
 C                  1.91278700   -2.33772900   -3.34463000
 C                 -0.74100000   -1.11194700   -4.19025600
 C                 -3.73431000   -1.93904000    0.17521900
 C                 -4.83172600   -1.97923100   -0.70469100
 C                 -5.58675100   -3.13885700   -0.84746900
 C                 -5.27104700   -4.27992800   -0.11088500
 C                 -4.18115300   -4.25710700    0.75841400
 C                 -3.41320300   -3.10556500    0.88839300
 C                 -3.98160800    1.66671300    0.30645300
 C                 -3.55553400    3.00329100    0.25339100
 C                 -4.47154700    4.05028100    0.24638500
 C                 -5.83776600    3.78410100    0.30699400
 C                 -6.27900600    2.46213100    0.37737700
 C                 -5.36559900    1.41501100    0.37496600
 Si                 3.29262400   -2.25730700    0.80642100
 C                  4.65620200   -2.86807900   -0.36907100
 C                  1.90003900   -3.54181800    0.72243700
 C                  4.02909200   -2.38020000    2.55330100
 Si                 4.54287500    1.05528600   -0.58133000
 C                  6.00066800    0.75257300    0.60085100
 C                  4.40688600    2.93914600   -0.76261100
 C                  4.98961100    0.36139400   -2.28904200
 H                  1.39987200    3.37539700    3.11451500
 H                  2.68072600    3.42123800    1.90223300
 H                  1.00165700    3.21467800    1.40234900
 H                  2.86682600    1.47459200    4.62742200
 H                  3.21731000   -0.19220200    4.16056500
 H                  4.17589700    1.13081300    3.49472900
 H                 -2.30535400    1.08014700    3.99642600
 H                 -0.86038200    1.56491300    4.89375300
 H                 -1.32577200    2.43032300    3.42027200
 H                  0.21850500   -1.32417500    4.77470300
 H                 -1.23397700   -1.82538700    3.90161600
 H                  0.36383500   -2.19896200    3.24607600
 H                  0.38534200    4.59927200   -1.93548400
 H                 -0.22949900    3.77150700   -0.50509700
 H                  1.50653000    3.79988600   -0.82992300
 H                 -1.61103900    1.51466300   -3.85275300
 H                 -1.58508000    3.24508200   -3.50787400
 H                 -2.20589600    2.11627400   -2.30168400
 H                  1.33654800    3.17383100   -4.37797500
 H                  2.57770000    2.31793300   -3.46178700
 H                  1.44988100    1.41579300   -4.47603400
 H                 -1.78063300   -2.84652700   -1.81616100
 H                 -0.70503900   -3.97445900   -2.64637800
 H                 -0.36164500   -3.47081000   -0.98715000
 H                  2.52010100   -1.53947700   -3.77967300
 H                  1.72827500   -3.08039500   -4.12861200
 H                  2.50607500   -2.82107600   -2.56637900
 H                 -0.86661300   -1.96386200   -4.86798600
 H                 -1.73832600   -0.76930100   -3.90559300
 H                 -0.25220500   -0.31344400   -4.75215800
 H                 -5.07708900   -1.09937700   -1.28761900
 H                 -6.42403900   -3.15248000   -1.53678800
 H                 -5.86305800   -5.18140100   -0.22091500
 H                 -3.92248300   -5.14321300    1.32760100
 H                 -2.55114600   -3.09505100    1.54568300
 H                 -2.49181100    3.20735500    0.22011400
 H                 -4.11887100    5.07464700    0.19917900
 H                 -6.55354200    4.59838900    0.30502800
 H                 -7.34063900    2.24780500    0.43558400
 H                 -5.71848800    0.39357100    0.44070000
 H                  5.57992200   -2.29440300   -0.26417100
 H                  4.88831300   -3.91029600   -0.12255300
 H                  4.36154300   -2.83648900   -1.41984100
 H                  0.98123400   -3.21124500    1.21184100
 H                  2.22982200   -4.46196400    1.21699300
 H                  1.65486600   -3.79548500   -0.31003200
 H                  4.49461100   -3.36588900    2.66502600
 H                  4.79484500   -1.62685700    2.74952600
 H                  3.26199900   -2.29181000    3.32633400
 H                  6.20509300   -0.30783200    0.76353900
 H                  6.90869000    1.20457600    0.18666500
 H                  5.82298900    1.21110400    1.57773800
 H                  3.61778400    3.23999000   -1.45370900
 H                  5.35336800    3.32609800   -1.15659000
 H                  4.22276100    3.43451000    0.19356100
 H                  5.89462600    0.85080900   -2.66532800
 H                  5.17762700   -0.71340000   -2.26084800
 H                  4.19071200    0.54010100   -3.01323800

97
Compound 16a, B3LYP/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-5571.83391 a.u.
Si                 1.82356000   -1.12387000    0.32849300
 Si                 1.40710600    1.23326700   -0.07234100
 Ge                -0.58344800    1.25564700   -1.59544400
 C                 -2.15032400    0.43679600   -0.62716200
 C                 -2.65807400   -0.81263900   -0.53517800
 Si                -1.78121700   -2.37878900   -1.17889700
 C                 -2.46897900   -2.74241400   -2.91673000
 C                 -2.24657000   -3.87190500   -0.10049700
 Si                 0.60707100   -2.30411700   -1.37198200
 C                  1.00834200   -1.62476600   -3.11147900
 C                  1.14964000   -4.13536700   -1.42989600
 C                 -2.85521100    1.66411600   -0.16048400
 C                 -3.24253600    2.66971600   -1.06882100
 C                 -3.82738900    3.85547800   -0.61850200
 C                 -4.03870800    4.06019700    0.73923800
 C                 -3.66438900    3.07000700    1.65235400
 C                 -3.07171200    1.89503900    1.21174100
 C                 -4.07620000   -1.02288300   -0.07901600
 C                 -4.39223500   -1.54274900    1.18375500
 C                 -5.71673800   -1.73985500    1.56815100
 C                 -6.75664200   -1.43311400    0.69346400
 C                 -6.45940800   -0.92406200   -0.56852600
 C                 -5.13510500   -0.72201300   -0.94920900
 Si                 2.94374700    2.31728800   -1.58834100
 C                  4.75996300    2.37177700   -1.03480400
 C                  2.40421700    4.12772300   -1.80929700
 C                  2.90830600    1.56339600   -3.33057600
 Si                 1.20591600    2.79062800    1.75721600
 C                  0.19170900    4.28485700    1.17827300
 C                  2.92576900    3.39808700    2.28769700
 C                  0.34354700    2.15834400    3.31995700
 Si                 4.14388100   -1.72211100    0.18937900
 C                  5.18722200   -0.61034600    1.32007600
 C                  4.82124500   -1.62957200   -1.58217300
 C                  4.44291700   -3.51140300    0.75949300
 Si                 1.09737700   -1.94701700    2.46051300
 C                  2.27732500   -1.40861800    3.84904800
 C                  1.06857200   -3.84739400    2.48265400
 C                 -0.65966000   -1.39301600    2.89112300
 H                 -2.25823400   -1.92932400   -3.61632300
 H                 -2.04100700   -3.66137500   -3.32976600
 H                 -3.55478200   -2.87321200   -2.87235000
 H                 -3.33060600   -4.01316300   -0.09059600
 H                 -1.79478000   -4.78178500   -0.50662800
 H                 -1.91632700   -3.77060600    0.93571900
 H                  0.64335200   -0.60832800   -3.29174700
 H                  2.08416400   -1.62071200   -3.30249100
 H                  0.53808900   -2.26790500   -3.86232000
 H                  2.21237200   -4.21371800   -1.67632600
 H                  0.98472800   -4.65378000   -0.48358200
 H                  0.59395100   -4.67041700   -2.20675200
 H                 -3.12884300    2.50002300   -2.13294300
 H                 -4.12838900    4.60959300   -1.33702400
 H                 -4.49766000    4.97784200    1.08901500
 H                 -3.83742000    3.21852100    2.71259500
 H                 -2.78358900    1.13050300    1.92232500
 H                 -3.59562400   -1.78258700    1.87792300
 H                 -5.93546500   -2.13320700    2.55511300
 H                 -7.78708200   -1.58886600    0.99246600
 H                 -7.25966300   -0.68029800   -1.25898200
 H                 -4.91137100   -0.32273100   -1.93204500
 H                  5.22327500    1.38399400   -1.01628200
 H                  5.32556200    2.98669500   -1.74404100
 H                  4.88139200    2.81584700   -0.04416700
 H                  1.35159600    4.21962900   -2.08982100
 H                  2.99881700    4.57514900   -2.61360400
 H                  2.56974200    4.72578100   -0.91008400
 H                  3.58781400    2.13242600   -3.97498500
 H                  3.22489800    0.51936000   -3.35806900
 H                  1.91019100    1.62266000   -3.77230500
 H                 -0.82951400    3.99198600    0.92222400
 H                  0.13057200    5.01685300    1.99173500
 H                  0.62652600    4.78699100    0.31299200
 H                  3.57635400    2.57418700    2.59307700
 H                  2.82601300    4.07758700    3.14148400
 H                  3.43148100    3.94536900    1.48872000
 H                  0.32511400    2.97606900    4.04951500
 H                 -0.69160000    1.87533400    3.12124600
 H                  0.85164800    1.31300500    3.78605500
 H                  4.95134700   -0.79248700    2.37184000
 H                  6.25244900   -0.82353200    1.17821500
 H                  5.03143300    0.45193000    1.12467700
 H                  4.31671000   -2.34510700   -2.23766900
 H                  5.88670100   -1.88487100   -1.57809500
 H                  4.72063200   -0.63975400   -2.02959700
 H                  4.24284400   -3.64895100    1.82473300
 H                  3.83693500   -4.23321500    0.20681900
 H                  5.49552600   -3.76535400    0.59081200
 H                  2.46464700   -0.33275800    3.85754700
 H                  1.85034000   -1.68006700    4.82068900
 H                  3.24410600   -1.91223900    3.76559700
 H                  0.32933900   -4.25398100    1.78868800
 H                  0.79096900   -4.18299600    3.48839200
 H                  2.03569300   -4.29250300    2.24199900
 H                 -0.97902600   -1.86095500    3.82884200
 H                 -0.73428000   -0.31295700    3.00944300
 H                 -1.35927800   -1.68869100    2.10769500

