97
Compound 10b, B3LYP(D3)/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-9147.08889 a.u.
 Ge                 0.33144500   -0.00739100   -0.00164500
 Si                -3.25409400   -1.01915200    0.49700000
 Si                -3.21061600    1.14705400   -0.50114000
 Ge                -1.05625800   -2.01708400    0.33218300
 Ge                -0.97575100    2.05672900   -0.32672900
 Si                -0.78804700   -3.27648500   -1.70373000
 Si                -0.23861000   -3.17357300    2.27749700
 Si                -0.11373800    3.17339100   -2.27629700
 Si                -0.64872000    3.30594200    1.70654500
 C                 -4.55505100   -2.08576500   -0.39571100
 H                 -4.60696300   -3.08778400    0.04021500
 H                 -5.54818500   -1.63212200   -0.31566800
 H                 -4.32019400   -2.19290700   -1.45774600
 C                 -3.78074400   -0.84628400    2.31708900
 H                 -4.74055400   -0.32541700    2.39025200
 H                 -3.89402100   -1.82881900    2.78445400
 H                 -3.04511300   -0.28312200    2.89537600
 C                 -4.47307900    2.26689200    0.38150100
 H                 -4.47170400    3.27177100   -0.05109400
 H                 -5.48515400    1.86050600    0.28619600
 H                 -4.24831100    2.35890400    1.44714100
 C                 -3.72718100    1.00123800   -2.32609100
 H                 -4.71069600    0.52896100   -2.41183000
 H                 -3.78651900    1.98941100   -2.79143600
 H                 -3.01347700    0.40405000   -2.89765600
 C                 -1.20870000   -2.15415500   -3.17028100
 H                 -2.25995200   -1.85406300   -3.15457700
 H                 -0.59844500   -1.24762900   -3.15063900
 H                 -1.01887400   -2.66678500   -4.11904300
 C                 -1.94047400   -4.78010800   -1.72527000
 H                 -2.98938400   -4.48005700   -1.65504200
 H                 -1.81317000   -5.34806000   -2.65328300
 H                 -1.72892200   -5.45298100   -0.88939500
 C                  1.00247900   -3.86174200   -1.86619300
 H                  1.15033200   -4.36869000   -2.82587900
 H                  1.70198500   -3.02406600   -1.81919900
 H                  1.26419600   -4.56720400   -1.07265000
 C                 -1.03112900   -4.88962600    2.39988900
 H                 -0.78763400   -5.49956800    1.52529500
 H                 -0.67179000   -5.41933600    3.28876200
 H                 -2.12068300   -4.82145900    2.46633900
 C                 -0.64327600   -2.19439600    3.84665300
 H                 -0.31036100   -1.15659300    3.76581700
 H                 -1.71784400   -2.18174600    4.04303500
 H                 -0.14416000   -2.64036800    4.71347800
 C                  1.63756200   -3.35724300    2.12982500
 H                  2.03771400   -3.88898300    2.99994200
 H                  1.91577500   -3.91738700    1.23349600
 H                  2.12615900   -2.38154700    2.07564400
 C                  1.76482600    3.31207900   -2.11018600
 H                  2.22581800    2.32492300   -2.02680600
 H                  2.18993100    3.81230700   -2.98705700
 H                  2.04716100    3.88520400   -1.22325400
 C                 -0.52582400    2.18820900   -3.84015400
 H                 -0.23283000    1.14019000   -3.74084600
 H                 -1.59612200    2.21251500   -4.05760600
 H                  0.00525600    2.60469200   -4.70268500
 C                 -0.86466100    4.90624800   -2.42849500
 H                 -0.60987500    5.52498800   -1.56342400
 H                 -0.49061000    5.41278300   -3.32479500
 H                 -1.95537800    4.86216000   -2.49735000
 C                  1.16433600    3.81949600    1.85654500
 H                  1.34258800    4.31114100    2.81894700
 H                  1.82937000    2.95527300    1.79354600
 H                  1.44422600    4.52147500    1.06623000
 C                 -1.74438800    4.85145800    1.73226600
 H                 -1.58605100    5.41810900    2.65629900
 H                 -1.51989100    5.51336600    0.89109700
 H                 -2.80395900    4.58774200    1.67611500
 C                 -1.10942100    2.20810100    3.17990800
 H                 -2.16840000    1.93700900    3.15760400
 H                 -0.52398700    1.28525200    3.17662500
 H                 -0.91464900    2.72620200    4.12476600
 C                  2.17018600   -0.20009000   -0.64988700
 C                  2.17584700    0.11594600    0.64452300
 C                  3.07245800   -0.57092000   -1.72618600
 C                  2.65418400   -0.46670900   -3.06221800
 C                  4.35118300   -1.09678600   -1.46490300
 C                  3.49252700   -0.84450100   -4.10509300
 H                  1.65979600   -0.08915800   -3.26773300
 C                  5.18129900   -1.48936800   -2.50829000
 H                  4.67589700   -1.21141300   -0.43774600
 C                  4.75960600   -1.35845900   -3.83245300
 H                  3.15361600   -0.74856200   -5.13064900
 H                  6.16027800   -1.90194200   -2.28995900
 H                  5.41078300   -1.66322100   -4.64384100
 C                  3.08792400    0.45167100    1.72400700
 C                  2.65695900    0.36949800    3.05754700
 C                  4.38901500    0.92315300    1.46953300
 C                  3.50271200    0.71670800    4.10493200
 H                  1.64648200    0.03327200    3.25639600
 C                  5.22714100    1.28603600    2.51733700
 H                  4.72592800    1.01933900    0.44439700
 C                  4.79140300    1.17802000    3.83896400
 H                  3.15334300    0.63838400    5.12847100
 H                  6.22368500    1.65731200    2.30444200
 H                  5.44883100    1.45952300    4.65370700

97
Compound 11b, B3LYP(D3)/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-9146.96101 a.u.
 C                 -1.45590100    0.95828100   -0.19394000
 C                 -0.27968200    1.25812300   -0.78004500
 Ge                 1.15443300    0.21381700   -1.75008000
 Si                -0.58327000   -2.57953500    0.43107300
 C                  0.09212400   -3.36286800   -1.16780800
 C                 -1.40291000   -4.01194300    1.38417200
 Si                 1.18056800   -1.64871000    1.70434400
 C                  2.12742900   -3.03468400    2.60362600
 C                  0.43781900   -0.47354900    2.99849900
 Si                 4.36548000   -1.81185600   -0.76846700
 C                  5.50255300   -0.70302300   -1.80684900
 C                  3.65811000   -3.13417700   -1.92572100
 C                  5.40402600   -2.69226500    0.55034200
 Si                 3.80339300    1.42093500    1.25972900
 C                  4.17211200    2.71664400   -0.06714400
 C                  5.46069900    0.83476400    1.97534300
 C                  2.84980300    2.18972100    2.70507600
 Si                -3.22625100   -1.29196200   -2.27419200
 C                 -3.68971000   -3.12120000   -2.46493400
 C                 -2.01427000   -0.82134000   -3.64830400
 C                 -4.80781600   -0.27235000   -2.50087500
 Si                -4.05781000   -0.99443100    1.52286900
 C                 -3.41925300   -0.91059600    3.30500400
 C                 -4.93774100   -2.65970500    1.29385300
 C                 -5.35916600    0.35398400    1.26870400
 C                  0.24990800    2.64445500   -0.89960500
 C                  0.58894700    3.16823200   -2.16352600
 C                  1.17002000    4.43324500   -2.28332600
 C                  1.41151200    5.20191200   -1.15156000
 C                  1.06797300    4.70139400    0.10828500
 C                  0.50873700    3.43915300    0.23238700
 C                 -2.33947600    2.04988300    0.31665400
 C                 -3.12787300    2.79724700   -0.56717300
 C                 -3.95357600    3.81758100   -0.10168300
 C                 -4.00236600    4.11609800    1.25858700
 C                 -3.21818500    3.38411600    2.14901500
 C                 -2.40145500    2.35789800    1.68196500
 H                  0.59081500   -2.64652300   -1.82696200
 H                  0.81738500   -4.14678900   -0.93206500
 H                 -0.71829200   -3.82267800   -1.73895800
 H                 -2.19945200   -4.46840000    0.78982000
 H                 -0.65645900   -4.78550900    1.59106500
 H                 -1.83044700   -3.69617900    2.33857200
 H                  2.47766900   -3.79397800    1.89934400
 H                  3.00126800   -2.63509800    3.12665100
 H                  1.48568900   -3.52747200    3.34098600
 H                  1.20447100   -0.09323800    3.67715800
 H                 -0.02992000    0.37835900    2.50102000
 H                 -0.32575900   -0.97964800    3.59585900
 H                  6.00918800    0.05062900   -1.19846200
 H                  6.27238100   -1.30524600   -2.30143300
 H                  4.93727100   -0.18018600   -2.58406700
 H                  3.07195400   -3.87725100   -1.38052100
 H                  4.47595600   -3.65844700   -2.43199800
 H                  3.01396000   -2.69604100   -2.69274900
 H                  6.20337500   -3.27139100    0.07486000
 H                  5.86594200   -1.98425700    1.24174400
 H                  4.79370300   -3.38299800    1.13763300
 H                  3.25744900    3.10158000   -0.52017300
 H                  4.71876300    3.56344500    0.36238100
 H                  4.78847800    2.28574400   -0.86110500
 H                  5.32461200    0.04250500    2.71660100
 H                  5.95891600    1.67496500    2.47235100
 H                  6.13478700    0.46041400    1.20145800
 H                  2.94973400    1.56811300    3.59904300
 H                  3.26498000    3.17687300    2.93554500
 H                  1.78725700    2.30906600    2.49970600
 H                 -4.36300600   -3.45281700   -1.67037000
 H                 -4.19850000   -3.27995800   -3.42194500
 H                 -2.80907200   -3.76774400   -2.44738400
 H                 -1.70499700    0.22326300   -3.55862200
 H                 -2.48409100   -0.95366100   -4.62901900
 H                 -1.11135700   -1.43682300   -3.62131900
 H                 -5.60463300   -0.63033700   -1.84414900
 H                 -4.64944300    0.78670900   -2.28444700
 H                 -5.16317300   -0.35918700   -3.53348700
 H                 -2.69960300   -1.70686200    3.51179400
 H                 -2.93337000    0.04480500    3.51328500
 H                 -4.25362600   -1.02258700    4.00582400
 H                 -5.41340300   -2.72627000    0.31158900
 H                 -5.72588100   -2.76120400    2.04792700
 H                 -4.26166400   -3.51010600    1.40117300
 H                 -4.95496800    1.35597000    1.41375900
 H                 -5.78674800    0.30786800    0.26484400
 H                 -6.17378800    0.20664800    1.98693800
 H                  0.34950300    2.60473600   -3.05834000
 H                  1.41720400    4.81724600   -3.26657700
 H                  1.85838700    6.18506100   -1.24376900
 H                  1.24704600    5.29732500    0.99617800
 H                  0.24541700    3.05596500    1.20749500
 H                 -3.08003500    2.57705900   -1.62755100
 H                 -4.55630900    4.38328800   -0.80369600
 H                 -4.64363100    4.91122400    1.62119700
 H                 -3.24408600    3.61025500    3.20939800
 H                 -1.79471700    1.79287500    2.38008500
 Ge                 2.63401200   -0.42412600    0.20492700
 Ge                -2.24647800   -0.87986200   -0.09244700

97
Compound 12b, B3LYP(D3)/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-9147.06989 a.u.
Ge                -0.27116900   -0.13499200    0.66440000
 C                  2.11757600    0.78058300   -0.20733500
 C                  0.94273200    1.36584800    0.14317200
 Si                -3.38995900    0.34728600    1.87882100
 C                 -4.88243300   -0.69505600    2.42753700
 C                 -3.80508200    2.18632000    2.12467500
 Si                -1.29857600   -0.21187200    2.86698300
 C                 -0.66071400    0.92842600    4.24706500
 C                 -1.22466100   -2.00513400    3.49540500
 Si                -2.84566200    1.53834200   -2.07977700
 C                 -4.44222400    1.17475600   -3.03806300
 C                 -1.37915500    1.44700800   -3.27163000
 C                 -2.96105500    3.27670300   -1.35519600
 Si                -3.23542400   -2.30298400   -1.10214400
 C                 -2.55851700   -2.66882200   -2.83366700
 C                 -5.12647100   -2.38292400   -1.17233400
 C                 -2.62518700   -3.62154600    0.11441100
 Si                 3.30689300   -1.88238700    1.82207900
 C                  5.10644500   -1.67387100    1.27337200
 C                  2.97991200   -3.68128100    2.31420600
 C                  2.96446900   -0.74756500    3.29657800
 Si                 1.98313100   -2.50530600   -1.99412400
 C                  0.98838100   -4.09577200   -1.74327900
 C                  3.77347400   -2.99441100   -2.38052000
 C                  1.27383700   -1.49256800   -3.42421500
 C                  3.39383800    1.44938000   -0.52543600
 C                  3.87087600    2.51089900    0.26233100
 C                  5.10257400    3.09936200   -0.00320100
 C                  5.88522000    2.64789600   -1.06583400
 C                  5.42644100    1.59547000   -1.85638100
 C                  4.20020800    0.99764100   -1.58131100
 C                  0.61080200    2.80193900    0.10591500
 C                 -0.08174400    3.40425700    1.16733500
 C                 -0.41844700    4.75422400    1.13323800
 C                 -0.08977300    5.52933100    0.02238800
 C                  0.58337600    4.94160700   -1.04864000
 C                  0.93385800    3.59636300   -1.00680700
 H                 -5.76390100   -0.45733100    1.82427100
 H                 -4.68146800   -1.76443800    2.32326600
 H                 -5.12970600   -0.49930800    3.47582300
 H                 -4.70555800    2.45638800    1.56514300
 H                 -3.98797500    2.40307700    3.18209600
 H                 -2.99320200    2.83027100    1.77871400
 H                  0.41095400    0.78682000    4.41172800
 H                 -0.82983800    1.98315000    4.01933800
 H                 -1.17939300    0.70375600    5.18488100
 H                 -0.19897100   -2.27129900    3.76917300
 H                 -1.85591400   -2.13773600    4.37961300
 H                 -1.55844800   -2.71075800    2.73172600
 H                 -5.31349100    1.18678500   -2.37684000
 H                 -4.60024400    1.93259900   -3.81326700
 H                 -4.40789400    0.19813200   -3.52888600
 H                 -1.43436800    2.25496100   -4.00913400
 H                 -1.36646200    0.49739300   -3.81327400
 H                 -0.43226200    1.54364000   -2.73515000
 H                 -3.08155700    4.00846400   -2.16133800
 H                 -3.81530000    3.37298000   -0.68063600
 H                 -2.05943400    3.53754000   -0.79949100
 H                 -1.46900900   -2.61442400   -2.86950000
 H                 -2.85477600   -3.67307400   -3.15547000
 H                 -2.95085000   -1.95513300   -3.56383000
 H                 -5.56240500   -2.21091200   -0.18470100
 H                 -5.45947200   -3.36595600   -1.52264500
 H                 -5.52959400   -1.62848200   -1.85325200
 H                 -1.55096200   -3.53739600    0.29759200
 H                 -3.13657800   -3.51952200    1.07596900
 H                 -2.82640600   -4.62876400   -0.26520100
 H                  5.29721800   -0.64418500    0.95842000
 H                  5.79392000   -1.91462700    2.09147900
 H                  5.34274200   -2.32806800    0.42954400
 H                  1.93647600   -3.82468300    2.60990200
 H                  3.61198900   -3.97432300    3.15917000
 H                  3.19048600   -4.36589800    1.48731300
 H                  3.69106100   -0.91142700    4.09903400
 H                  3.01891300    0.30223400    2.99533500
 H                  1.96604200   -0.92806500    3.70252200
 H                 -0.05602800   -3.89013600   -1.50263800
 H                  1.01063200   -4.70991200   -2.64967900
 H                  1.40766300   -4.68977800   -0.92583500
 H                  4.42610100   -2.12408400   -2.48575000
 H                  3.82015000   -3.56589100   -3.31386800
 H                  4.18445200   -3.62190200   -1.58442700
 H                  1.16661800   -2.10175500   -4.32765300
 H                  0.29354100   -1.08592100   -3.16767800
 H                  1.92312300   -0.64555300   -3.66212000
 H                  3.26557300    2.86630500    1.08750500
 H                  5.45404900    3.91307800    0.62181700
 H                  6.84520700    3.10766900   -1.27150400
 H                  6.02748600    1.23449100   -2.68384000
 H                  3.85321100    0.17422300   -2.19457400
 H                 -0.34637200    2.80403700    2.02912000
 H                 -0.94777800    5.19760500    1.96951800
 H                 -0.36392000    6.57743000   -0.01322400
 H                  0.83450500    5.53377700   -1.92175300
 H                  1.46056900    3.14598600   -1.83932100
 Ge                 1.86745500   -1.19884600    0.02015600
 Ge                -2.54816500   -0.12208500   -0.35805400

 97
Compound 13b, B3LYP(D3)/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-9147.11086 a.u.
 Ge                 0.84099300   -0.49457800   -0.35701000
 Si                 2.23323400   -2.34521300    0.26059400
 Si                -0.62036600   -0.54528300   -2.29887900
 C                  2.74883200    0.14340900   -0.38788200
 C                  3.49058500   -0.95533800   -0.06713700
 C                  2.20920100   -2.97821200    2.04163500
 C                  2.39805900   -3.82061100   -0.90728800
 Si                -1.44408900   -0.01366500    3.25363500
 Si                -0.72797200    2.99553100    0.87168600
 C                 -0.44298900    0.89401800   -3.52352800
 C                 -0.50920500   -2.14302500   -3.32007000
 C                  3.23497300    1.51112100   -0.64324400
 C                  4.96710400   -1.05202300   -0.05944200
 H                  1.33083600   -3.60719700    2.21190900
 H                  2.18395200   -2.15056500    2.75437600
 H                  3.09486800   -3.58650200    2.25131700
 H                  3.33955100   -4.35010300   -0.72811900
 H                  2.38229900   -3.49982200   -1.95147000
 H                  1.57866200   -4.52903900   -0.75411500
 Si                -4.49698900    0.89424900   -1.27559800
 Si                -3.10355500   -2.63598900   -0.20689800
 C                 -1.25089100   -1.85660200    3.63535200
 C                 -0.29955500    0.94133000    4.42379900
 C                 -3.23487600    0.48656000    3.61995900
 C                  0.85851500    3.49790400    1.77077100
 C                 -2.21209500    3.82302900    1.71596400
 C                 -0.60099500    3.65791600   -0.89383500
 H                  0.48621700    0.79616400   -4.09399600
 H                 -0.44346500    1.86557100   -3.03031100
 H                 -1.27353400    0.87518100   -4.23640000
 H                 -1.31470700   -2.19003600   -4.05958500
 H                 -0.56904000   -3.03471800   -2.69391700
 H                  0.44312900   -2.17477900   -3.85912000
 C                  4.13740200    2.13134300    0.23673500
 C                  2.76891200    2.24657200   -1.74264000
 C                  5.62871300   -1.74333000    0.96785000
 C                  5.74419800   -0.49970900   -1.09109700
 C                 -5.62516100   -0.08973100   -2.43791100
 C                 -4.12028600    2.56638700   -2.07731000
 C                 -5.42322900    1.20659900    0.34739200
 C                 -4.40359600   -2.68408800    1.17179000
 C                 -3.83310800   -3.51377300   -1.72087100
 C                 -1.56767400   -3.61129500    0.33146400
 H                 -1.42570900   -2.02146200    4.70430600
 H                 -0.24544100   -2.21305300    3.40328400
 H                 -1.96481100   -2.47126200    3.08427500
 H                 -0.48084200    0.63568600    5.45991900
 H                 -0.47192100    2.01859000    4.35916000
 H                  0.75416400    0.75647200    4.19773300
 H                 -3.93363300    0.00243000    2.93361600
 H                 -3.37390500    1.56595900    3.52164900
 H                 -3.50994500    0.20169200    4.64119000
 H                  0.96695500    4.58800800    1.75186500
 H                  1.73415500    3.06989800    1.27676500
 H                  0.86663100    3.17631800    2.81448500
 H                 -2.28326100    3.54522900    2.77082300
 H                 -3.15527300    3.55298900    1.23327400
 H                 -2.11062100    4.91260000    1.66494600
 H                 -0.61534000    4.75315700   -0.87277600
 H                 -1.41928000    3.32286700   -1.53178000
 H                  0.34393200    3.35014800   -1.34452000
 H                  4.50217200    1.57671600    1.09289800
 C                  4.55539200    3.44011300    0.02223000
 C                  3.20115700    3.55081800   -1.96652500
 H                  2.06556100    1.78634500   -2.42710900
 H                  5.04864100   -2.17859100    1.77414900
 C                  7.01636800   -1.85684100    0.97890800
 C                  7.12892100   -0.62348600   -1.08650200
 H                  5.24994900    0.02698200   -1.89827000
 H                 -5.98040900   -1.00748200   -1.96177300
 H                 -5.11047800   -0.36926400   -3.36126700
 H                 -6.50287900    0.50709900   -2.70856900
 H                 -5.05421000    3.04595500   -2.38997600
 H                 -3.48293900    2.46480400   -2.95964700
 H                 -3.62139300    3.23861600   -1.37584800
 H                 -6.31453400    1.81849900    0.17149000
 H                 -4.79107800    1.72970200    1.06941000
 H                 -5.74555700    0.27009500    0.81055700
 H                 -5.33232400   -2.20748700    0.84509800
 H                 -4.06928200   -2.17173200    2.07624300
 H                 -4.63762300   -3.72020600    1.43898500
 H                 -4.08877900   -4.54879200   -1.46824700
 H                 -3.11964000   -3.53800900   -2.54852100
 H                 -4.74165900   -3.02194100   -2.07710200
 H                 -0.99297500   -3.08738700    1.09637900
 H                 -0.90348900   -3.78370400   -0.51927000
 H                 -1.85719800   -4.58824000    0.73329200
 H                  5.24402800    3.90428500    0.71957000
 C                  4.09203100    4.15554500   -1.08168000
 H                  2.83151300    4.09902500   -2.82615300
 H                  7.50669800   -2.38496900    1.78946300
 C                  7.77284500   -1.29823800   -0.04920300
 H                  7.70875600   -0.19201500   -1.89516800
 H                  4.41824400    5.17597100   -1.24744000
 H                  8.85297900   -1.39170100   -0.04589100
 Ge                -0.97016600    0.58766100    0.96083100
 Ge                -2.50638000   -0.36389500   -0.77556200
 
97
Compound 14b, B3LYP(D3)/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-9147.06283 a.u.
C                  1.50894900    0.81718600    0.18093100
 C                  2.32252400   -0.22624000    0.42571600
 Ge                 2.35476300   -1.90656300    1.52582100
 Si                 0.99911100   -3.35353900    0.02093600
 C                  2.23302000   -4.32035800   -1.07676200
 C                  0.11273800   -4.65399600    1.10104300
 Si                -0.56603400   -2.34506300   -1.44173500
 C                  0.38038700   -1.81883500   -3.01103600
 C                 -1.80715400   -3.69492900   -1.96805500
 Si                -1.05316300    3.32100600    0.88424800
 C                 -0.83014800    4.21077800   -0.76756700
 C                 -0.06352100    4.26321000    2.19913200
 C                 -2.88340700    3.43648500    1.36043500
 Si                -0.32221600    0.33035200    3.20906800
 C                  1.23420600    1.09191400    3.97218300
 C                 -0.24417100   -1.54903200    3.47989800
 C                 -1.83263700    0.97114700    4.15660900
 C                  3.69310400   -0.33066500   -0.16741300
 C                  3.87452900   -0.81964900   -1.47252700
 C                  5.14873100   -0.93986200   -2.01746300
 C                  6.26859800   -0.58891000   -1.26487000
 C                  6.10765500   -0.12182300    0.03849500
 C                  4.83442400   -0.00385400    0.58738200
 C                  1.99903500    1.95856600   -0.64692000
 C                  1.77329900    2.00321100   -2.02629100
 C                  2.22466100    3.07448200   -2.79267700
 C                  2.91222900    4.12590600   -2.18952200
 C                  3.15077900    4.09076300   -0.81619600
 C                  2.70017400    3.01638100   -0.05329700
 Si                -2.64966500    0.67299900   -2.61347900
 C                 -3.39672900   -0.63424000   -3.77122700
 C                 -1.33579100    1.57184400   -3.64064000
 C                 -4.01928100    1.91683000   -2.19929000
 Si                -3.82106200   -1.19243100    0.53520200
 C                 -5.04241700   -1.94948200   -0.70191100
 C                 -4.71475700    0.24738700    1.37823900
 C                 -3.47309100   -2.50594800    1.85627200
 H                  2.80738400   -3.65433500   -1.72448600
 H                  2.94297900   -4.87767400   -0.45796500
 H                  1.70483000   -5.04133200   -1.70949500
 H                  0.83758200   -5.20281800    1.71028100
 H                 -0.61814100   -4.20880600    1.78007500
 H                 -0.41382400   -5.37870600    0.47156100
 H                  1.01976000   -0.95621300   -2.81639600
 H                  1.01286500   -2.63603500   -3.37100700
 H                 -0.30898200   -1.54943100   -3.81504100
 H                 -1.28133400   -4.53630900   -2.43109500
 H                 -2.36498900   -4.08132900   -1.11150200
 H                 -2.52737900   -3.30755400   -2.69355500
 H                 -1.46842400    3.78677400   -1.54504200
 H                 -1.11317500    5.26216500   -0.64429700
 H                  0.20270700    4.17454700   -1.11652400
 H                 -0.25237700    3.87501100    3.20311000
 H                 -0.35620000    5.31881200    2.19013100
 H                  1.01059100    4.21268800    2.00879300
 H                 -3.19810100    4.48550500    1.33616600
 H                 -3.52146000    2.88078100    0.67146500
 H                 -3.07381900    3.05578400    2.36607900
 H                  1.21859500    2.18258600    3.91412000
 H                  1.32224300    0.80803600    5.02628800
 H                  2.12812700    0.74089000    3.45059600
 H                 -0.77395400   -2.11361300    2.71351200
 H                 -0.68035200   -1.81441100    4.44901300
 H                  0.79624700   -1.89889700    3.51027400
 H                 -1.92393100    2.05832400    4.10225000
 H                 -2.76557700    0.53325100    3.79444500
 H                 -1.72837700    0.69948200    5.21279900
 H                  3.00528300   -1.08696700   -2.05813000
 H                  5.26711000   -1.30502000   -3.03149800
 H                  7.26125400   -0.68179700   -1.69059600
 H                  6.97494000    0.15155900    0.62893600
 H                  4.70869700    0.36536600    1.59865700
 H                  1.23283000    1.19252200   -2.49529900
 H                  2.03399700    3.08822600   -3.86013700
 H                  3.26077600    4.96332400   -2.78306500
 H                  3.69119600    4.90037900   -0.33792400
 H                  2.89402900    2.98595700    1.01295500
 H                 -4.18199500   -1.22384600   -3.29604900
 H                 -3.83339000   -0.13218600   -4.64176600
 H                 -2.63531300   -1.32662200   -4.13846100
 H                 -1.82695300    2.03718000   -4.50272000
 H                 -0.58829500    0.87256500   -4.02321200
 H                 -0.81478300    2.35407800   -3.08839000
 H                 -4.40958500    2.35256900   -3.12546500
 H                 -4.85438400    1.44147700   -1.67856600
 H                 -3.65631900    2.73612700   -1.57509100
 H                 -4.60772600   -2.77723900   -1.26670700
 H                 -5.91218100   -2.33368600   -0.15764500
 H                 -5.40091800   -1.20290500   -1.41471700
 H                 -4.05889500    0.79576300    2.05539600
 H                 -5.56258400   -0.13060800    1.95990700
 H                 -5.10299500    0.96094200    0.64764400
 H                 -2.86327300   -3.32891600    1.47491200
 H                 -2.96638300   -2.08168900    2.72503900
 H                 -4.42352200   -2.92813300    2.20059000
 Ge                -1.81242400   -0.43219000   -0.60679400
 Ge                -0.37038100    0.98338700    0.86695700

97
Compound 15b, B3LYP(D3)/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-9147.07878 a.u.
Ge                -1.23649900   -0.00811100   -0.76662000
 C                 -3.02517100    0.74697200   -0.48110800
 C                 -3.09633500   -0.57999700   -0.50399400
 Si                 1.85117900   -1.07087800   -2.41525100
 C                  1.57956700   -2.93961700   -2.19725700
 C                  3.16946000   -0.86229900   -3.77110700
 Si                -0.26138000   -0.16632700   -2.96795800
 C                 -1.31285500   -1.32885100   -4.03901800
 C                 -0.14790600    1.52891800   -3.81956500
 Si                 0.07585200   -2.21302700    2.26408200
 C                  0.33962800   -3.72516900    1.15820700
 C                 -1.70307500   -2.29876400    2.90641700
 C                  1.26702700   -2.34058100    3.73567800
 Si                 0.01278300    1.70403500    2.64952200
 C                 -1.06692100    3.07057000    1.91300600
 C                  1.66553800    2.42078500    3.23377700
 C                 -0.91380500    1.06797700    4.17443400
 C                 -3.82155900    1.94185000   -0.26438300
 C                 -4.92802400    1.94010300    0.60367900
 C                 -5.64947200    3.10692400    0.83319500
 C                 -5.28900500    4.29408600    0.19543500
 C                 -4.18966900    4.30969700   -0.66303100
 C                 -3.45548500    3.14957700   -0.87899400
 C                 -4.05305100   -1.67180400   -0.44011600
 C                 -3.59384600   -2.99454100   -0.34341900
 C                 -4.48582900   -4.05941100   -0.27755800
 C                 -5.85881000   -3.82356600   -0.32560900
 C                 -6.33140700   -2.51514700   -0.44323200
 C                 -5.44161300   -1.44910900   -0.49757800
 Si                 3.09240500    2.29818500   -0.78826300
 C                  4.43252700    2.92508800    0.39823100
 C                  1.61068900    3.47283200   -0.67051100
 C                  3.80497000    2.45095800   -2.53828900
 Si                 4.40485400   -1.05487100    0.69256800
 C                  5.91544800   -0.74337400   -0.41156200
 C                  4.21892000   -2.93072400    0.87045900
 C                  4.70499200   -0.32281100    2.41265400
 H                  1.35259100   -3.39029500   -3.16874400
 H                  2.46348000   -3.43926700   -1.79344300
 H                  0.74351800   -3.14687700   -1.52919300
 H                  2.90166100   -1.47824700   -4.63570100
 H                  3.26444900    0.17004700   -4.10795600
 H                  4.15139700   -1.19188500   -3.41821200
 H                 -2.32509000   -0.93114400   -4.15646600
 H                 -0.87610800   -1.44794400   -5.03560800
 H                 -1.39498200   -2.31672200   -3.57978600
 H                  0.30314800    1.42478600   -4.81169900
 H                 -1.14311800    1.96498800   -3.94563500
 H                  0.45887800    2.23414800   -3.24814500
 H                  0.22275700   -4.63594900    1.75559900
 H                 -0.40371700   -3.75819900    0.35813400
 H                  1.32859100   -3.74672400    0.69916800
 H                 -1.87893400   -1.58758100    3.71508800
 H                 -1.90575500   -3.30372500    3.29288300
 H                 -2.42562300   -2.09708000    2.11199600
 H                  1.08250000   -3.26945600    4.28645500
 H                  2.31181800   -2.34637100    3.41603600
 H                  1.13757800   -1.50963600    4.43400500
 H                 -2.10169900    2.73496900    1.81530900
 H                 -1.05921300    3.94119000    2.57840700
 H                 -0.73933500    3.39647800    0.92600000
 H                  2.32166700    1.64190700    3.63159100
 H                  1.49688000    3.15820000    4.02589800
 H                  2.19686600    2.91910000    2.42165700
 H                 -1.04976000    1.89336700    4.88187900
 H                 -1.90485500    0.69812700    3.90124100
 H                 -0.38094600    0.26788400    4.69238700
 H                 -5.20104600    1.02258000    1.11120900
 H                 -6.49420900    3.09141900    1.51325000
 H                 -5.85429700    5.20172000    0.37398300
 H                 -3.89701800    5.23180300   -1.15289500
 H                 -2.58184100    3.16160100   -1.52120200
 H                 -2.52480400   -3.16928900   -0.31893900
 H                 -4.11046700   -5.07331900   -0.19431500
 H                 -6.55655000   -4.65199600   -0.27826200
 H                 -7.39847600   -2.32758900   -0.49309900
 H                 -5.81285800   -0.43698100   -0.59972300
 H                  5.36621400    2.37162600    0.27251800
 H                  4.64091900    3.97989700    0.18811400
 H                  4.13662300    2.84487000    1.44584300
 H                  0.70496100    3.04661000   -1.10807900
 H                  1.83362200    4.40719200   -1.19646800
 H                  1.38905700    3.72202600    0.36808400
 H                  4.21722000    3.45669700   -2.67486800
 H                  4.60597500    1.73051800   -2.72075300
 H                  3.03530900    2.30173400   -3.29946800
 H                  6.10283400    0.32217500   -0.56398400
 H                  6.81359600   -1.18125000    0.03715600
 H                  5.77773800   -1.20043500   -1.39587900
 H                  3.38215000   -3.20094500    1.51676000
 H                  5.12958800   -3.34911400    1.31300500
 H                  4.06685800   -3.41506400   -0.09726800
 H                  5.54040600   -0.82869900    2.90834200
 H                  4.93805000    0.74285600    2.35909200
 H                  3.81932600   -0.43891000    3.04331300
 Ge                 0.39451700   -0.11854100    1.08530000
 Ge                 2.47489500   -0.00500100   -0.30766300

97
Compound 16b, B3LYP(D3)/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-9147.08240 a.u.
Ge                -0.67656500    1.31861400   -1.77878600
 C                 -2.20963600    0.47837200   -0.77610900
 C                 -2.72185500   -0.77025700   -0.67854700
 Si                -1.89884800   -2.28658400   -1.48377700
 C                 -2.47665300   -2.29961500   -3.29239900
 C                 -2.51344600   -3.88844500   -0.67856700
 Si                 0.48439100   -2.35830700   -1.47388900
 C                  1.10131200   -1.67944700   -3.14366300
 C                  0.96907900   -4.20227500   -1.45955900
 C                 -2.83762500    1.68800300   -0.18186000
 C                 -3.17600200    2.80128400   -0.97695600
 C                 -3.66152700    3.97516200   -0.39451200
 C                 -3.82686100    4.05638200    0.98199700
 C                 -3.51012300    2.95277000    1.78168300
 C                 -3.01435500    1.79079600    1.21137500
 C                 -4.10164300   -0.96901800   -0.12869800
 C                 -4.36365700   -1.77197200    0.99012500
 C                 -5.66017800   -1.92780500    1.47406500
 C                 -6.72910600   -1.29786700    0.84039300
 C                 -6.48813500   -0.50874600   -0.28269700
 C                 -5.19111500   -0.34748000   -0.75963900
 Si                 2.98642200    2.20748200   -1.53529400
 C                  4.74084000    2.18030900   -0.81852800
 C                  2.51932900    4.02772500   -1.80616700
 C                  3.04533900    1.40791800   -3.25205300
 Si                 1.01179100    2.81590800    1.70034500
 C                  0.03062100    4.29468400    1.04460700
 C                  2.73172700    3.39461600    2.25127700
 C                  0.11500200    2.17912800    3.23562000
 Si                 3.89369200   -1.81395800    0.47453900
 C                  4.79255900   -0.64256300    1.66047500
 C                  4.70350100   -1.78240500   -1.23810600
 C                  4.07669400   -3.57884800    1.14673200
 Si                 0.58750000   -1.98301700    2.43776300
 C                  1.72416400   -1.56182700    3.89602700
 C                  0.42168300   -3.87003500    2.34859400
 C                 -1.13739400   -1.27702800    2.75113000
 H                 -2.15395200   -1.39442000   -3.81413200
 H                 -2.08325400   -3.16350500   -3.83677700
 H                 -3.56958800   -2.34022300   -3.33449400
 H                 -3.60327100   -3.95423800   -0.72691200
 H                 -2.09336200   -4.74937900   -1.20651200
 H                 -2.22216200   -3.96841500    0.37121900
 H                  0.88661000   -0.61705000   -3.28711300
 H                  2.18242200   -1.80873200   -3.24247200
 H                  0.61751000   -2.22145000   -3.96224500
 H                  2.04816100   -4.31202000   -1.60394100
 H                  0.70311100   -4.69082100   -0.52056000
 H                  0.47009700   -4.73889300   -2.27285900
 H                 -3.11346300    2.72836100   -2.05667300
 H                 -3.92159700    4.81716200   -1.02591100
 H                 -4.20613700    4.96540200    1.43420700
 H                 -3.64895500    3.00534800    2.85583800
 H                 -2.77404400    0.93611400    1.82934500
 H                 -3.54676500   -2.26764300    1.49725500
 H                 -5.83423100   -2.54424100    2.34939300
 H                 -7.73852800   -1.42252500    1.21580400
 H                 -7.31137900   -0.01574800   -0.78828300
 H                 -5.00674000    0.27108900   -1.63000600
 H                  5.15394100    1.17179500   -0.76987300
 H                  5.39664700    2.77603400   -1.46331000
 H                  4.78218100    2.60840500    0.18544500
 H                  1.49209600    4.12961300   -2.16750800
 H                  3.18315500    4.47032600   -2.55680800
 H                  2.61505700    4.61617400   -0.89028200
 H                  3.80887300    1.90782000   -3.85821500
 H                  3.28791200    0.34457300   -3.21861400
 H                  2.08780900    1.51554300   -3.76904100
 H                 -0.97492000    3.98868500    0.74752300
 H                 -0.06850000    5.05692700    1.82537300
 H                  0.51385300    4.75659500    0.18138800
 H                  3.36072700    2.55279600    2.55415800
 H                  2.63867800    4.07053700    3.10851000
 H                  3.25153700    3.93442600    1.45637700
 H                  0.04602000    2.99863900    3.95989800
 H                 -0.89969600    1.86441500    2.99301900
 H                  0.63589200    1.35049200    3.71868700
 H                  4.41474800   -0.77153000    2.67833900
 H                  5.86852500   -0.84681800    1.67209400
 H                  4.65053200    0.40319200    1.38259200
 H                  4.24289100   -2.52852800   -1.89235000
 H                  5.76980900   -2.02053200   -1.16057300
 H                  4.61257900   -0.81096100   -1.72645500
 H                  3.69547200   -3.66128800    2.16758200
 H                  3.54211700   -4.30503700    0.52874700
 H                  5.13423600   -3.86435500    1.16157900
 H                  1.99336800   -0.50285000    3.90947600
 H                  1.23015000   -1.79645100    4.84484300
 H                  2.65193600   -2.13846300    3.85187100
 H                 -0.31801100   -4.16367600    1.60006800
 H                  0.08725800   -4.25909400    3.31657500
 H                  1.36532900   -4.35847100    2.09668100
 H                 -1.71421300   -1.94967100    3.39429800
 H                 -1.08550100   -0.30596800    3.24311400
 H                 -1.67764400   -1.14919800    1.81231700
 Ge                 1.25013600    1.23004900   -0.12762000
 Ge                 1.55518500   -1.20018600    0.36535700

97
Compound 17b, B3LYP(D3)/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-9146.9772214 a.u.
 Ge                 0.19305600    0.36140500    0.88884100
 C                 -2.28491500    0.38211400   -0.28256200
 C                 -1.37500000    1.33953300    0.04011000
 Si                 1.78275700   -2.06989300   -1.72810500
 Si                -0.57289500   -2.29818400   -1.90734800
 Si                 4.17546600   -0.62067800    1.02985500
 Si                 2.99577400    1.75636100   -1.93297400
 Si                 0.32514100    1.26934300    3.14982800
 Si                -2.51524100   -2.94637500    1.68154200
 C                 -1.57165500    2.80597300   -0.01373800
 C                 -3.59854900    0.56204100   -0.94103200
 C                  3.71383500   -1.99993400    2.24896300
 C                  5.64274600   -1.24217200   -0.00364800
 C                  4.79234600    0.86599300    2.03542200
 C                 -1.17810600   -4.14123100    2.29753100
 C                 -3.28483200   -2.07523900    3.17752900
 C                 -3.86059900   -3.94803600    0.79736500
 C                 -1.04045000   -4.12657000   -2.17641300
 C                 -1.23416800   -1.29538200   -3.38085800
 C                  2.60939900   -2.06535500   -3.44726500
 C                  2.40712100   -3.63531400   -0.83202900
 C                  1.64964000    2.12318300   -3.21835300
 C                  3.39548400    3.33879000   -0.96207400
 C                  4.56853000    1.29907200   -2.89444600
 C                 -1.43200200    1.64362500    3.75035700
 C                  1.13436000    0.08658400    4.39084900
 C                  1.28650400    2.90243100    3.12382000
 C                 -3.73211200    1.33264900   -2.10881100
 C                 -4.96270600    1.46448700   -2.74352200
 C                 -6.09484900    0.83621700   -2.22619400
 C                 -5.98060900    0.06587400   -1.07100400
 C                 -4.74562200   -0.07723000   -0.44432600
 C                 -0.51846200    3.66057600   -0.37170100
 C                 -0.67929400    5.04331000   -0.39705500
 C                 -1.89864400    5.61189800   -0.03665600
 C                 -2.95099300    4.78138200    0.34753100
 C                 -2.79246300    3.39970400    0.35797800
 H                  4.50483900   -2.10933200    2.99928300
 H                  2.78108500   -1.79387700    2.77776900
 H                  3.60386600   -2.96063200    1.74186700
 H                  6.45741600   -1.55037700    0.66124800
 H                  6.03273200   -0.46628000   -0.66650700
 H                  5.37736700   -2.10386500   -0.62137000
 H                  4.03852700    1.23519200    2.73450900
 H                  5.67039900    0.57249100    2.62166700
 H                  5.08749900    1.69946300    1.39294900
 H                 -0.74325800   -4.71851200    1.47682400
 H                 -0.36489700   -3.61016600    2.79990900
 H                 -1.60443300   -4.85269500    3.01293600
 H                 -3.78738700   -2.80728100    3.81922400
 H                 -4.02511900   -1.32615700    2.88430100
 H                 -2.52417100   -1.57306100    3.78044300
 H                 -3.44690000   -4.52179800   -0.03612600
 H                 -4.32083800   -4.65764000    1.49394400
 H                 -4.65422200   -3.30987300    0.40015100
 H                 -2.12527300   -4.23842400   -2.26157000
 H                 -0.59425600   -4.50870300   -3.10033200
 H                 -0.69959500   -4.76154100   -1.35488700
 H                 -0.79430500   -1.65989900   -4.31475200
 H                 -2.32082700   -1.37928100   -3.46352300
 H                 -0.99076000   -0.23503700   -3.28408500
 H                  2.36665900   -2.98796300   -3.98478000
 H                  3.69860900   -2.00964000   -3.36310400
 H                  2.27579200   -1.22574000   -4.06152200
 H                  1.94533200   -3.75507800    0.15123800
 H                  2.15961200   -4.52102700   -1.42629600
 H                  3.49158500   -3.62397800   -0.69465600
 H                  1.95178300    2.97148200   -3.84259600
 H                  1.49652100    1.26618800   -3.88011900
 H                  0.68706300    2.36955100   -2.76600000
 H                  3.62561700    4.15309500   -1.65815200
 H                  4.27239000    3.19313400   -0.32539700
 H                  2.57785200    3.67064300   -0.31889900
 H                  4.44101900    0.39174600   -3.48945100
 H                  4.81945100    2.11409100   -3.58298000
 H                  5.42757300    1.15171100   -2.23528500
 H                 -1.38781800    2.09760600    4.74684600
 H                 -1.93827400    2.34653100    3.08466500
 H                 -2.04825100    0.74456300    3.82168900
 H                  1.05354000    0.50622500    5.39974700
 H                  2.19509400   -0.07307100    4.18588400
 H                  0.64263000   -0.89029800    4.39966500
 H                  0.77840100    3.64202400    2.49938100
 H                  1.35813900    3.31274900    4.13734300
 H                  2.30202200    2.78109600    2.73985300
 H                 -2.85915000    1.82540000   -2.51933600
 H                 -5.03808100    2.06024600   -3.64677000
 H                 -7.05352500    0.94120300   -2.72144300
 H                 -6.85337700   -0.42890000   -0.65872900
 H                 -4.66747800   -0.68105200    0.45297000
 H                  0.43668500    3.22862800   -0.63875700
 H                  0.15137100    5.67553600   -0.69149700
 H                 -2.02567500    6.68851800   -0.04570200
 H                 -3.90137100    5.21227100    0.64355800
 H                 -3.61822900    2.76911600    0.66197700
 Ge                 2.31132800   -0.04634400   -0.44046000
 Ge                -1.43871700   -1.38322400    0.17471300

97
Compound 18b, B3LYP(D3)/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-9146.9814996 a.u.
 Ge                 1.56001500   -1.27234400   -0.07273700
 C                  1.14009500    1.41395400    0.19101000
 C                  2.17485400    0.63519200   -0.23155900
 Si                 0.56864800   -2.06027500   -2.15695600
 C                  1.13375400   -3.82850100   -2.59594700
 C                  1.00956400   -0.94125100   -3.63155100
 Si                -1.76944400   -2.05811500   -1.71397200
 C                 -2.79269300   -2.17090200   -3.31988200
 C                 -2.11550700   -3.64252100   -0.70698600
 Si                 3.11797800   -2.78372100    1.01391900
 C                  2.20364400   -4.33732400    1.60138200
 C                  3.95411400   -1.96035300    2.50036900
 C                  4.46816900   -3.30112300   -0.21298700
 Si                -0.21074600    0.24314600    3.40105100
 C                  1.42387700    1.01114000    3.97383200
 C                 -0.33224100   -1.50940800    4.11269900
 C                 -1.63762600    1.28126900    4.09552400
 C                  3.52769900    1.06691000   -0.64758800
 C                  4.17932800    0.45671500   -1.73169300
 C                  5.46834300    0.82949300   -2.10289600
 C                  6.15101700    1.80620400   -1.38109600
 C                  5.52943800    2.40581700   -0.28621900
 C                  4.23623100    2.04404100    0.07499100
 C                  1.04096900    2.88701200    0.11005300
 C                  1.49396300    3.59202900   -1.02052200
 C                  1.37653900    4.97512000   -1.10043300
 C                  0.80768400    5.69774900   -0.05195500
 C                  0.34336000    5.01758900    1.07140800
 C                  0.44765100    3.63090000    1.14299900
 Si                -4.34657800   -0.63661900    0.92712100
 C                 -4.02891000   -1.87181400    2.33125900
 C                 -5.63873300   -1.41242800   -0.22834300
 C                 -5.11486000    0.92451600    1.68454800
 Si                -2.85321700    1.82112600   -1.76012600
 C                 -4.51346000    1.53257000   -2.63781900
 C                 -1.53548000    2.08872300   -3.09280300
 C                 -3.00695200    3.40642200   -0.73707700
 H                  0.62648500   -4.18052600   -3.50017400
 H                  2.21011300   -3.85605500   -2.78995500
 H                  0.91943300   -4.54141700   -1.79595600
 H                  2.06404400   -1.04639000   -3.90306200
 H                  0.41554300   -1.21687500   -4.50905000
 H                  0.82241300    0.11200500   -3.41501600
 H                 -2.53316200   -3.07806800   -3.87562200
 H                 -3.86408700   -2.21202500   -3.10221100
 H                 -2.61841400   -1.31620400   -3.97866800
 H                 -3.18157400   -3.75791200   -0.49247100
 H                 -1.79482800   -4.52818300   -1.26475800
 H                 -1.58074600   -3.63784300    0.24693400
 H                  1.43488900   -4.10294800    2.34283400
 H                  1.71841400   -4.85839400    0.77162500
 H                  2.90868700   -5.03691300    2.06359000
 H                  4.47900600   -1.04652100    2.20962900
 H                  4.69069600   -2.64297800    2.93849400
 H                  3.23658500   -1.70228300    3.28309400
 H                  5.18322500   -3.97170000    0.27658800
 H                  4.05241400   -3.83047000   -1.07447800
 H                  5.02191700   -2.43452400   -0.58381400
 H                  1.50788700    2.05889300    3.67502700
 H                  1.49496400    0.96805500    5.06629700
 H                  2.28473900    0.48101700    3.56021300
 H                 -1.24123800   -2.02469800    3.79343700
 H                 -0.33767000   -1.47189100    5.20755700
 H                  0.52079900   -2.11955900    3.80492400
 H                 -1.57239100    1.32300600    5.18837900
 H                 -1.61624500    2.30914300    3.72347200
 H                 -2.61065500    0.85698000    3.83790900
 H                  3.66190000   -0.31276800   -2.29310600
 H                  5.94222400    0.35079900   -2.95305900
 H                  7.15879100    2.09051200   -1.66202400
 H                  6.05576100    3.15814800    0.29128700
 H                  3.76498900    2.51496400    0.92901100
 H                  1.94135700    3.04395700   -1.84043700
 H                  1.73015300    5.49171700   -1.98611100
 H                  0.71943000    6.77642400   -0.11462300
 H                 -0.10899300    5.56551800    1.89086200
 H                  0.07070900    3.11367100    2.01730800
 H                 -3.38735800   -1.45163200    3.10901300
 H                 -4.97981300   -2.14439500    2.80269900
 H                 -3.56182000   -2.79089300    1.96896000
 H                 -5.89250500   -0.75174400   -1.06082500
 H                 -6.56019200   -1.61738400    0.32803900
 H                 -5.29006600   -2.35932500   -0.64883700
 H                 -5.99324400    0.65695000    2.28235100
 H                 -4.41536600    1.45216400    2.33791200
 H                 -5.44259600    1.62593600    0.91283500
 H                 -5.34902200    1.50031900   -1.93346900
 H                 -4.70555000    2.35472400   -3.33640500
 H                 -4.52050500    0.60190600   -3.21052300
 H                 -0.55501200    2.27913200   -2.65105600
 H                 -1.79886300    2.95930000   -3.70385200
 H                 -1.44872100    1.22828200   -3.76104400
 H                 -3.74608600    3.30642000    0.06189800
 H                 -2.05440100    3.68929400   -0.28390600
 H                 -3.32515900    4.23200100   -1.38370200
 Ge                -0.21986800    0.13575300    0.96762900
 Ge                -2.34037300   -0.10662000   -0.35754100
 

97
Compound 10b, B3LYP/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-9146.96101 a.u
 Ge                 0.08077100    0.38315200    0.00032200
 Si                -1.75265000   -2.91288300   -0.46610400
 Si                 0.41229000   -3.37929900    0.43510100
 Ge                -2.23073100   -0.53555300   -0.22109400
 Ge                 1.81677300   -1.39877800    0.21875100
 Si                -3.40617400   -0.06400000    1.85620400
 Si                -3.37194500    0.45129900   -2.12740200
 Si                 3.24619700   -0.97889800    2.14009300
 Si                 3.09919500   -1.42699500   -1.84855600
 C                 -3.04938900   -3.99193900    0.42462300
 H                 -4.05003200   -3.81617300    0.01867000
 H                 -2.81972500   -5.05398800    0.28905400
 H                 -3.08345100   -3.79391100    1.49848600
 C                 -1.77869600   -3.43351500   -2.29932000
 H                 -1.50861200   -4.48995800   -2.39605300
 H                 -2.77751500   -3.30778600   -2.72740700
 H                 -1.07953400   -2.85193900   -2.90403200
 C                  1.16030600   -4.87944700   -0.47558900
 H                  2.14496200   -5.13182400   -0.07099300
 H                  0.51829900   -5.75823300   -0.35472200
 H                  1.27463200   -4.69619900   -1.54654600
 C                  0.22140700   -3.89051200    2.26114900
 H                 -0.45379400   -4.74808700    2.34515100
 H                  1.18475300   -4.18596900    2.68705800
 H                 -0.18318900   -3.08363800    2.87593200
 C                 -2.42366300   -0.72113400    3.33870500
 H                 -2.30038000   -1.80659900    3.29801300
 H                 -1.42983600   -0.26950300    3.39190300
 H                 -2.94726000   -0.48188100    4.27078300
 C                 -5.11384600   -0.89198600    1.86830200
 H                 -5.04097100   -1.97835000    1.77468400
 H                 -5.62743600   -0.67222600    2.81100300
 H                 -5.74773900   -0.52938500    1.05491400
 C                 -3.64662600    1.80099200    2.07719000
 H                 -4.12960900    2.00250300    3.03985300
 H                 -2.69540200    2.33821300    2.06252000
 H                 -4.28312000    2.22231800    1.29450200
 C                 -5.17061500   -0.15054500   -2.20026200
 H                 -5.73944900    0.16249300   -1.32087700
 H                 -5.66995900    0.26533800   -3.08247100
 H                 -5.23298300   -1.24028800   -2.26698100
 C                 -2.53772900   -0.02111100   -3.76323400
 H                 -1.47146800    0.21757400   -3.76477900
 H                 -2.63923700   -1.08762500   -3.97593400
 H                 -3.00258600    0.53013500   -4.58808900
 C                 -3.37136400    2.33905200   -1.97646000
 H                 -3.88215600    2.78416300   -2.83760200
 H                 -3.88707000    2.67459800   -1.07321300
 H                 -2.35506300    2.73967200   -1.94633700
 C                  4.02045700    0.74440100    2.00919200
 H                  3.25787400    1.52655400    1.97795800
 H                  4.66049200    0.93442000    2.87802000
 H                  4.63709700    0.84601900    1.11265600
 C                  2.27734200   -1.07909100    3.76673100
 H                  1.40320600   -0.42352100    3.76463800
 H                  1.93010000   -2.09465500    3.96918400
 H                  2.91996500   -0.77304100    4.59962300
 C                  4.64001400   -2.26509500    2.21520300
 H                  5.29444700   -2.20553800    1.34164100
 H                  5.25843300   -2.09697000    3.10395000
 H                  4.25019100   -3.28528400    2.27070600
 C                  4.08139700    0.17956500   -2.04562500
 H                  4.61294900    0.17565600   -3.00376200
 H                  3.43156100    1.05765600   -2.02853100
 H                  4.82739900    0.29737900   -1.25517700
 C                  4.32051400   -2.87958300   -1.86408500
 H                  4.89335900   -2.87457200   -2.79819500
 H                  5.03454800   -2.81925200   -1.03860000
 H                  3.80953400   -3.84294100   -1.79253300
 C                  1.94571800   -1.61096200   -3.34198100
 H                  1.38574100   -2.54936300   -3.31184700
 H                  1.22696400   -0.78929500   -3.39535100
 H                  2.52882000   -1.60258700   -4.26938700
 C                  0.35263700    2.21808200    0.65830300
 C                  0.58270300    2.17001600   -0.65499500
 C                  0.27573700    3.18188200    1.75023400
 C                  0.41897200    2.76043900    3.08195200
 C                  0.01245900    4.54449400    1.51175400
 C                  0.33664000    3.66589600    4.13485900
 H                  0.59699300    1.71013900    3.27959600
 C                 -0.08600600    5.44495500    2.56612100
 H                 -0.12821000    4.88774200    0.49401500
 C                  0.08308600    5.01255600    3.88187500
 H                  0.46116800    3.31844700    5.15455300
 H                 -0.29715300    6.48902200    2.36179900
 H                  0.00939800    5.71808700    4.70168900
 C                  1.04748200    3.01966500   -1.74555300
 C                  0.73724700    2.70072300   -3.07733900
 C                  1.85264400    4.14975800   -1.50580100
 C                  1.18330600    3.49474900   -4.12888000
 H                  0.13895000    1.81960100   -3.27615300
 C                  2.31141100    4.93252000   -2.55895500
 H                  2.12685700    4.39989600   -0.48812500
 C                  1.97325500    4.61420000   -3.87463900
 H                  0.92193000    3.23415200   -5.14857600
 H                  2.93709200    5.79437300   -2.35369100
 H                  2.32962200    5.22885800   -4.69347500

97
Compound 11b, B3LYP/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-9146.92962 a.u.
C                 -1.48774300    0.98498600   -0.11283700
 C                 -0.32399000    1.32750100   -0.70033400
 Ge                 1.14949100    0.34962200   -1.65742100
 Si                -0.52047000   -2.66470300   -0.20838800
 C                 -0.05089400   -3.06889700   -2.01596900
 C                 -1.26900200   -4.28155900    0.47837900
 Si                 1.47818500   -2.27356100    1.02405800
 C                  2.53103500   -3.86306700    0.91559500
 C                  1.01716800   -2.06942800    2.86061000
 Si                 4.69259800   -1.01931000   -1.05918200
 C                  5.53199800    0.52080800   -1.78511700
 C                  4.17846800   -2.12812600   -2.51166100
 C                  5.97775200   -1.96521000   -0.03127000
 Si                 3.38403800    1.10068800    2.06960100
 C                  4.15276500    2.70376200    1.41433300
 C                  4.68983200    0.22671200    3.13590300
 C                  1.93245500    1.53587900    3.21128700
 Si                -3.58974500   -1.05285300   -2.12933000
 C                 -4.07091000   -2.85460500   -2.49376600
 C                 -2.61416700   -0.37866800   -3.60880400
 C                 -5.21106800   -0.07641100   -1.99684200
 Si                -3.73797800   -1.27172500    1.81527000
 C                 -2.82450500   -1.21927600    3.47714600
 C                 -4.54610900   -2.98267400    1.65164000
 C                 -5.15803200   -0.01925100    1.87221400
 C                  0.14648500    2.72783600   -0.92011100
 C                  0.30963100    3.19148400   -2.24305800
 C                  0.81644300    4.46646800   -2.50347700
 C                  1.17050400    5.30420000   -1.45392100
 C                  1.01511100    4.86140700   -0.13721600
 C                  0.52356000    3.59029000    0.12629700
 C                 -2.37957400    2.05755400    0.43689300
 C                 -3.20781500    2.81994100   -0.39797500
 C                 -4.00711200    3.83796200    0.11800600
 C                 -3.99204300    4.12124500    1.48178700
 C                 -3.16961200    3.37627800    2.32464500
 C                 -2.37818000    2.35332600    1.80739800
 H                  0.36283600   -2.21854800   -2.56606700
 H                  0.70036900   -3.86529400   -2.03235500
 H                 -0.91953700   -3.42755300   -2.57478500
 H                 -2.19811900   -4.54656300   -0.03347800
 H                 -0.56143800   -5.10225800    0.32260900
 H                 -1.47865100   -4.22277000    1.54877400
 H                  2.83624200   -4.09252100   -0.10775700
 H                  3.43770500   -3.76454200    1.52003100
 H                  1.96876000   -4.72057000    1.29942500
 H                  1.91072600   -1.97151600    3.48365900
 H                  0.38674900   -1.19519100    3.03020400
 H                  0.47086300   -2.95278500    3.20721200
 H                  5.91939900    1.18186600   -1.00510800
 H                  6.37504400    0.22937600   -2.42128700
 H                  4.83771900    1.10194000   -2.39871500
 H                  3.70421700   -3.05327800   -2.17372000
 H                  5.06034400   -2.40364500   -3.10068900
 H                  3.47811200   -1.61888800   -3.17913600
 H                  6.82864100   -2.24437000   -0.66289400
 H                  6.36422700   -1.36572300    0.79682200
 H                  5.56036000   -2.88386000    0.38862100
 H                  3.45205500    3.26691700    0.79421500
 H                  4.45434100    3.34302800    2.25185900
 H                  5.04347400    2.50276900    0.81360300
 H                  4.32919300   -0.73046800    3.52142400
 H                  4.94675700    0.85598800    3.99569900
 H                  5.61039300    0.03580100    2.57899100
 H                  1.63297900    0.67706900    3.81608100
 H                  2.23027300    2.33713900    3.89681900
 H                  1.05453300    1.87583200    2.65917900
 H                 -4.65465300   -3.29134200   -1.67893900
 H                 -4.68901000   -2.89336200   -3.39770200
 H                 -3.20279200   -3.49604500   -2.66242500
 H                 -2.31190200    0.65929700   -3.44698900
 H                 -3.23147600   -0.41161500   -4.51334100
 H                 -1.70879200   -0.96015800   -3.79957800
 H                 -5.89334600   -0.53536900   -1.27702100
 H                 -5.05240800    0.95891700   -1.68899100
 H                 -5.71526200   -0.06795700   -2.96973100
 H                 -2.02611400   -1.96331500    3.52996800
 H                 -2.38091300   -0.23868200    3.66661300
 H                 -3.52752200   -1.42632700    4.29168500
 H                 -5.10750200   -3.07731600    0.71817700
 H                 -5.25635600   -3.12065200    2.47463100
 H                 -3.82619500   -3.80186900    1.69445100
 H                 -4.80759800    1.01081100    1.94627700
 H                 -5.79430500   -0.09408600    0.98750900
 H                 -5.78259100   -0.22879300    2.74837000
 H                 -0.00938900    2.56567500   -3.06860000
 H                  0.91901800    4.80198900   -3.52938700
 H                  1.55825900    6.29679400   -1.65269800
 H                  1.27967000    5.51422800    0.68734600
 H                  0.40594500    3.26052200    1.14918500
 H                 -3.21191000    2.62263200   -1.46372400
 H                 -4.63693100    4.41581000   -0.54971600
 H                 -4.61079100    4.91592500    1.88282500
 H                 -3.14228600    3.59175500    3.38741300
 H                 -1.73779200    1.78211900    2.47045200
 Ge                 2.72979200   -0.32734300    0.20950200
 Ge                -2.23400500   -0.89350700   -0.08871700

97
Compound 12b, B3LYP/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-9146.97174 a.u.
Ge                -0.25036700   -0.09355000    0.63419100
 C                  2.18323800    0.79217900   -0.19788300
 C                  1.00903500    1.39443700    0.12764500
 Si                -3.38728700    0.34343300    1.94904500
 C                 -4.84287100   -0.72068600    2.56235000
 C                 -3.85685500    2.16464800    2.24641300
 Si                -1.25578000   -0.19163700    2.87171500
 C                 -0.61026600    0.93724200    4.26162600
 C                 -1.17286700   -1.98432500    3.50845200
 Si                -3.06347000    1.57418000   -2.02976400
 C                 -4.77047400    1.26269600   -2.80420200
 C                 -1.75870600    1.47378000   -3.39895100
 C                 -3.06814600    3.32656700   -1.31902900
 Si                -3.36820600   -2.28045700   -1.08066600
 C                 -2.78948400   -2.65076100   -2.84958600
 C                 -5.26510500   -2.33083400   -1.07427200
 C                 -2.75281100   -3.66651700    0.05868900
 Si                 3.31839300   -2.05378500    1.76370800
 C                  5.13639000   -2.02772900    1.22647400
 C                  2.83388400   -3.83506900    2.20226500
 C                  3.14151700   -0.96990500    3.30766900
 Si                 2.03575700   -2.47884000   -2.07496700
 C                  1.06129700   -4.08895400   -1.85300400
 C                  3.82801100   -2.94866400   -2.48870400
 C                  1.32240200   -1.49512700   -3.52728400
 C                  3.47284000    1.45855900   -0.49351200
 C                  3.98938600    2.45025700    0.35804900
 C                  5.22111200    3.04445400    0.10203100
 C                  5.96594500    2.67058800   -1.01540300
 C                  5.46967200    1.68796800   -1.86976500
 C                  4.24454900    1.08257000   -1.60433700
 C                  0.72821800    2.84693200    0.08980000
 C                  0.09876200    3.49005900    1.16687100
 C                 -0.16310800    4.85720800    1.13785600
 C                  0.17711900    5.61261200    0.01736700
 C                  0.78426100    4.98648100   -1.07018200
 C                  1.05976600    3.62309300   -1.03411100
 H                 -5.75438400   -0.49291900    2.00140900
 H                 -4.64435300   -1.79027100    2.46133700
 H                 -5.04453600   -0.51683600    3.61912700
 H                 -4.77295400    2.42176200    1.70603500
 H                 -4.04020700    2.34021900    3.31165300
 H                 -3.07394600    2.85288600    1.92028300
 H                  0.44907000    0.75465300    4.46348300
 H                 -0.72866500    1.99721900    4.02679900
 H                 -1.16488400    0.73945300    5.18506700
 H                 -0.14814300   -2.24798700    3.78682100
 H                 -1.80192300   -2.10929700    4.39571800
 H                 -1.50685500   -2.70196400    2.75594000
 H                 -5.56460300    1.26888400   -2.05229700
 H                 -4.99537000    2.05351600   -3.52873200
 H                 -4.81738700    0.30810600   -3.33502800
 H                 -1.96388300    2.22435500   -4.17033300
 H                 -1.74933400    0.49331900   -3.88217800
 H                 -0.75796500    1.66483700   -3.00411300
 H                 -3.25258800    4.04660600   -2.12425100
 H                 -3.85416000    3.45615300   -0.57095500
 H                 -2.11358900    3.58390700   -0.85565000
 H                 -1.70087400   -2.64899400   -2.93860600
 H                 -3.14666700   -3.63879500   -3.16055400
 H                 -3.18271200   -1.91952000   -3.56121400
 H                 -5.66775000   -2.18777800   -0.06850500
 H                 -5.61390400   -3.30417100   -1.43730900
 H                 -5.69583800   -1.56169900   -1.72006100
 H                 -1.66210900   -3.69241500    0.12198800
 H                 -3.14456900   -3.55048800    1.07297200
 H                 -3.08845900   -4.64008100   -0.31502100
 H                  5.45551800   -1.01887400    0.95184800
 H                  5.77692500   -2.37130500    2.04644400
 H                  5.31753200   -2.67879200    0.36748900
 H                  1.79697300   -3.90365500    2.54311200
 H                  3.47364600   -4.21421900    3.00668700
 H                  2.94809100   -4.50748300    1.34724200
 H                  3.78901500   -1.34194500    4.10913000
 H                  3.42681300    0.06503600    3.10091500
 H                  2.11508500   -0.96538500    3.68241900
 H                  0.00781000   -3.90240300   -1.63385900
 H                  1.11119400   -4.69185000   -2.76617400
 H                  1.46891200   -4.69142700   -1.03630200
 H                  4.48116200   -2.07624100   -2.56858900
 H                  3.86106300   -3.47977200   -3.44656500
 H                  4.25236600   -3.61172500   -1.73002600
 H                  1.33325200   -2.10133200   -4.43965400
 H                  0.29128900   -1.18614000   -3.34183100
 H                  1.90475800   -0.59058200   -3.72196100
 H                  3.41681500    2.75030500    1.22743000
 H                  5.60002100    3.80396000    0.77734900
 H                  6.92430500    3.13630600   -1.21539600
 H                  6.03948300    1.38806000   -2.74260000
 H                  3.87028500    0.31672800   -2.27412400
 H                 -0.16977700    2.91031600    2.04203400
 H                 -0.63774500    5.33183800    1.98987000
 H                 -0.03435800    6.67550400   -0.01082400
 H                  1.04605700    5.56246300   -1.95112900
 H                  1.53695300    3.14750400   -1.88243500
 Ge                 1.90542600   -1.19267300   -0.01643900
 Ge                -2.59793000   -0.10129700   -0.32904300

97
Compound 13b, B3LYP/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-9146.98184 a.u. 
Ge                 0.85010800   -0.47031200   -0.32782900
 Si                 2.26843000   -2.34311100    0.23329600
 Si                -0.64074000   -0.48204900   -2.26883000
 C                  2.77683700    0.16421700   -0.38465200
 C                  3.51623700   -0.94308700   -0.08941800
 C                  2.28317300   -3.03104500    1.99729900
 C                  2.43547100   -3.79710400   -0.96602100
 Si                -1.39156300   -0.18548300    3.34471400
 Si                -0.73522600    2.98176700    1.09906700
 C                 -0.47039100    0.99140500   -3.45948800
 C                 -0.52598400   -2.03696700   -3.35907700
 C                  3.29869200    1.52070000   -0.65720800
 C                  4.99580300   -1.05722200   -0.11695400
 H                  1.42059100   -3.68327700    2.16201700
 H                  2.25569200   -2.23392300    2.74380100
 H                  3.18219200   -3.63149800    2.17062200
 H                  3.38410300   -4.31974000   -0.80419000
 H                  2.40821400   -3.46427700   -2.00600200
 H                  1.62824900   -4.52050800   -0.81829100
 Si                -4.48135800    1.03190400   -1.38323500
 Si                -3.30050300   -2.60851500   -0.33039000
 C                 -1.34275600   -2.06360000    3.59244600
 C                 -0.08823600    0.55427200    4.50949600
 C                 -3.10242300    0.41137100    3.91115900
 C                  0.79034000    3.44201300    2.12548200
 C                 -2.24832800    3.82042100    1.88317700
 C                 -0.48121800    3.71804700   -0.62511400
 H                  0.45018200    0.90287400   -4.04546500
 H                 -0.45838300    1.95397200   -2.94757600
 H                 -1.30790500    0.99351000   -4.16469400
 H                 -1.33199800   -2.05012500   -4.09973500
 H                 -0.58163100   -2.96091600   -2.78117500
 H                  0.42384300   -2.03974700   -3.90369500
 C                  4.17813100    2.14700400    0.24180700
 C                  2.91790300    2.22782100   -1.80783200
 C                  5.67958300   -1.69700400    0.92965700
 C                  5.75041700   -0.58592100   -1.20381600
 C                 -5.56999000    0.12008500   -2.64406300
 C                 -3.99190800    2.68637400   -2.16676000
 C                 -5.54161300    1.38642600    0.14890300
 C                 -4.61669200   -2.66602700    1.03560200
 C                 -4.06222800   -3.36083300   -1.89842800
 C                 -1.84850700   -3.72959000    0.15502200
 H                 -1.50522600   -2.28236100    4.65396000
 H                 -0.37844500   -2.49229200    3.31204800
 H                 -2.12178100   -2.57921500    3.02825100
 H                 -0.20254400    0.12204900    5.50981500
 H                 -0.19140300    1.63766800    4.60488500
 H                  0.92924100    0.34379100    4.16944400
 H                 -3.90462700   -0.03047800    3.31394100
 H                 -3.20160500    1.49748200    3.84589900
 H                 -3.26928100    0.12330600    4.95520300
 H                  0.90680200    4.53180300    2.13146400
 H                  1.70132900    3.01693300    1.69704600
 H                  0.71649300    3.10991800    3.16298700
 H                 -2.39322700    3.51201700    2.92164600
 H                 -3.17086000    3.60378800    1.33859500
 H                 -2.10849600    4.90724500    1.87879500
 H                 -0.43727400    4.81050000   -0.55206300
 H                 -1.28868100    3.46284800   -1.31279200
 H                  0.46241000    3.38014100   -1.05900100
 H                  4.48081500    1.61945800    1.13855100
 C                  4.66237800    3.42752800   -0.00661100
 C                  3.41745600    3.50189500   -2.06506500
 H                  2.23608100    1.76575900   -2.51260800
 H                  5.12030300   -2.06997900    1.78068500
 C                  7.06437200   -1.83899300    0.90383600
 C                  7.13249200   -0.74024100   -1.23609100
 H                  5.24346100   -0.10120900   -2.02933600
 H                 -6.01810500   -0.78195700   -2.22069300
 H                 -5.01359500   -0.17040400   -3.53927000
 H                 -6.38829700    0.77661500   -2.96045100
 H                 -4.89305500    3.21219100   -2.50149200
 H                 -3.34406200    2.55001600   -3.03653800
 H                 -3.47437100    3.33893200   -1.46081300
 H                 -6.42103300    1.97718100   -0.13056900
 H                 -4.98879900    1.94989800    0.90502800
 H                 -5.89545600    0.46384400    0.61697800
 H                 -5.51926200   -2.12398700    0.73916500
 H                 -4.25974900   -2.22686700    1.97000300
 H                 -4.90674100   -3.70203700    1.24222100
 H                 -4.34634700   -4.40153900   -1.70513600
 H                 -3.35373500   -3.36156100   -2.73064400
 H                 -4.95823200   -2.82869200   -2.22455500
 H                 -1.28325100   -3.33988800    1.00272300
 H                 -1.15379700   -3.85177700   -0.68015500
 H                 -2.21937300   -4.72439500    0.42587700
 H                  5.33623100    3.89286100    0.70446900
 C                  4.28944500    4.10941100   -1.16370800
 H                  3.11895700    4.02331400   -2.96805500
 H                  7.57043400   -2.32568500    1.73058100
 C                  7.79746600   -1.36303600   -0.18093700
 H                  7.69291700   -0.37226000   -2.08870500
 H                  4.67074200    5.10535400   -1.35872800
 H                  8.87504300   -1.47990800   -0.20644800
 Ge                -0.99821400    0.55099400    1.04820400
 Ge                -2.55707400   -0.32655300   -0.75626300 
 
97
Compound 14b, B3LYP/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-9146.91666 a.u.
C                  1.56105000    0.83006800    0.06812700
 C                  2.33907400   -0.23722200    0.33652500
 Ge                 2.28775900   -1.88055600    1.48932500
 Si                 0.91048900   -3.40832900    0.07664200
 C                  2.11384900   -4.44983300   -0.98745300
 C                  0.06959900   -4.63359700    1.27667000
 Si                -0.69876900   -2.43641700   -1.38003100
 C                  0.21975400   -1.99500600   -2.99401900
 C                 -1.96570900   -3.78810300   -1.84828100
 Si                -0.96278200    3.41850200    0.77818800
 C                 -0.79979800    4.27906600   -0.89997800
 C                  0.10161600    4.39752800    2.01047300
 C                 -2.76864000    3.62032800    1.32662900
 Si                -0.19328400    0.50958300    3.20338300
 C                  1.41570000    1.23302200    3.89921500
 C                 -0.20994300   -1.34227700    3.63234600
 C                 -1.63239200    1.28421000    4.17001500
 C                  3.71658600   -0.43666300   -0.21508300
 C                  3.92295600   -0.84423600   -1.54660200
 C                  5.20391500   -1.08048800   -2.03158700
 C                  6.31204600   -0.93429700   -1.19626300
 C                  6.12867300   -0.55324500    0.12941800
 C                  4.84595700   -0.31739000    0.61977200
 C                  2.10831900    1.95124000   -0.76121800
 C                  1.86476500    2.03528500   -2.13783400
 C                  2.40393500    3.06750700   -2.90268000
 C                  3.19603000    4.04492700   -2.30423800
 C                  3.44781500    3.97580300   -0.93546300
 C                  2.91090300    2.94039100   -0.17377700
 Si                -2.77674000    0.61019300   -2.60239400
 C                 -3.58130000   -0.70295800   -3.71873300
 C                 -1.47110700    1.46421100   -3.68081300
 C                 -4.11784700    1.89646700   -2.20817300
 Si                -3.90662500   -1.11374700    0.66172000
 C                 -5.19084000   -1.85884200   -0.52382700
 C                 -4.74134200    0.36942500    1.49505700
 C                 -3.59450600   -2.42189200    2.00098700
 H                  2.67381700   -3.83380000   -1.69444200
 H                  2.83783000   -4.96762700   -0.35059700
 H                  1.57009700   -5.21214500   -1.55512200
 H                  0.81800500   -5.12412600    1.90714100
 H                 -0.65009500   -4.14701900    1.93940400
 H                 -0.46063200   -5.41485700    0.72299100
 H                  0.92794000   -1.17781500   -2.84426700
 H                  0.77835700   -2.86209600   -3.36025800
 H                 -0.47672400   -1.69568800   -3.78133300
 H                 -1.44977100   -4.64265100   -2.29915800
 H                 -2.51756000   -4.15768600   -0.98075800
 H                 -2.69208200   -3.41904000   -2.57758600
 H                 -1.47203100    3.85474700   -1.64850900
 H                 -1.06860200    5.33473100   -0.77850700
 H                  0.21749100    4.23312300   -1.29144100
 H                 -0.00908500    4.04219500    3.03774500
 H                 -0.21055400    5.44787200    1.99131700
 H                  1.16158300    4.36391800    1.74953700
 H                 -3.01671100    4.68779500    1.33356900
 H                 -3.46665600    3.12586700    0.64829900
 H                 -2.95289100    3.23395000    2.33088300
 H                  1.46821800    2.31647600    3.77081900
 H                  1.48409600    1.01824500    4.97146200
 H                  2.28960200    0.79277300    3.41370900
 H                 -0.93391100   -1.91292600    3.05087200
 H                 -0.45979000   -1.46791200    4.69222700
 H                  0.77681200   -1.80318100    3.49918900
 H                 -1.68001600    2.36907700    4.05619400
 H                 -2.60286200    0.87174900    3.88430800
 H                 -1.48871400    1.07207200    5.23552000
 H                  3.06890200   -0.96072400   -2.20144300
 H                  5.33945700   -1.37887500   -3.06524200
 H                  7.30975300   -1.11953700   -1.57773600
 H                  6.98328300   -0.43687300    0.78642000
 H                  4.71155300   -0.00760200    1.64948100
 H                  1.25120700    1.28064900   -2.61329200
 H                  2.20471700    3.10578300   -3.96817900
 H                  3.61573400    4.84901500   -2.89802800
 H                  4.06949500    4.72614000   -0.45887400
 H                  3.12269100    2.88606500    0.88818400
 H                 -4.37520200   -1.25995900   -3.21861200
 H                 -4.02284900   -0.20298700   -4.58840100
 H                 -2.85108400   -1.42454500   -4.09327700
 H                 -1.96885900    1.91372000   -4.54769000
 H                 -0.73348600    0.75166300   -4.05803300
 H                 -0.93666300    2.25718400   -3.15654700
 H                 -4.49561700    2.32363500   -3.14388200
 H                 -4.96894800    1.45820200   -1.68078900
 H                 -3.73703100    2.72075900   -1.60107500
 H                 -4.81354200   -2.73339400   -1.05860200
 H                 -6.06367500   -2.17654000    0.05778400
 H                 -5.53641700   -1.13301500   -1.26353000
 H                 -4.07880900    0.87783500    2.19752800
 H                 -5.62317800    0.03147700    2.05070000
 H                 -5.07449100    1.10908100    0.76326900
 H                 -3.03973800   -3.28410600    1.62255100
 H                 -3.04789900   -2.01536900    2.85403000
 H                 -4.55786300   -2.78723500    2.37410000
 Ge                -1.88393200   -0.44516100   -0.56347300
 Ge                -0.31674400    1.03902800    0.79776100

97
Compound 15b, B3LYP/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-9146.94967 a.u.
Ge                -1.30604200   -0.02665000   -0.67111500
 C                 -3.08345900    0.77106300   -0.37145200
 C                 -3.18536400   -0.55585500   -0.40762900
 Si                 1.80244900   -0.95589500   -2.49080500
 C                  1.73173100   -2.85679100   -2.38458100
 C                  2.99482800   -0.57953600   -3.92969400
 Si                -0.39568800   -0.17097800   -2.91227900
 C                 -1.41770600   -1.38135400   -3.96402100
 C                 -0.40542000    1.52252600   -3.78119300
 Si                 0.14298700   -2.31928300    2.24245800
 C                  0.33638400   -3.80004300    1.07523800
 C                 -1.60473600   -2.42721900    2.96882700
 C                  1.38068100   -2.52316300    3.66851800
 Si                 0.09059400    1.60912600    2.78085800
 C                 -0.91156100    3.05327800    2.08061400
 C                  1.75020600    2.25393100    3.43306600
 C                 -0.88517200    0.96755100    4.27649500
 C                 -3.87839600    1.97857900   -0.18914800
 C                 -4.97644000    2.01253800    0.69041200
 C                 -5.71015500    3.18103200    0.86766200
 C                 -5.37256600    4.33791000    0.16623200
 C                 -4.28193800    4.32125300   -0.70230100
 C                 -3.53504600    3.16020700   -0.86631500
 C                 -4.18478500   -1.61728900   -0.40489800
 C                 -3.78138400   -2.96170400   -0.37487100
 C                 -4.71488500   -3.99313900   -0.38790900
 C                 -6.07636900   -3.70316400   -0.44645400
 C                 -6.49515700   -2.37292200   -0.49449300
 C                 -5.56430900   -1.34151000   -0.47184700
 Si                 3.22364400    2.35304500   -0.74108000
 C                  4.54223000    2.89828200    0.51345800
 C                  1.82076500    3.62466000   -0.65681300
 C                  4.02078300    2.53652000   -2.45478700
 Si                 4.48222800   -1.10524400    0.51798600
 C                  5.95892600   -0.75601700   -0.62632300
 C                  4.30720300   -2.99200300    0.60457000
 C                  4.90479400   -0.49280100    2.26201300
 H                  1.33558100   -3.26160200   -3.32161100
 H                  2.73029100   -3.27909500   -2.24188300
 H                  1.09850000   -3.21413600   -1.57216900
 H                  2.70648000   -1.17678800   -4.80116700
 H                  2.98970000    0.46960200   -4.22608000
 H                  4.02346700   -0.84864400   -3.67199000
 H                 -2.45213700   -1.03686900   -4.05235700
 H                 -1.00393700   -1.46291900   -4.97445800
 H                 -1.43751600   -2.38060700   -3.52342400
 H                  0.02654800    1.44228200   -4.78405400
 H                 -1.42895400    1.89343000   -3.88913200
 H                  0.16611900    2.27264400   -3.22987300
 H                  0.13247900   -4.72349800    1.62861800
 H                 -0.37507600   -3.75007900    0.24662400
 H                  1.33972900   -3.88100200    0.65383900
 H                 -1.76398800   -1.70409800    3.77017400
 H                 -1.75744700   -3.42772900    3.38945500
 H                 -2.37473000   -2.26671500    2.21072500
 H                  1.20561200   -3.47623400    4.18009800
 H                  2.41670100   -2.52045700    3.32186400
 H                  1.27654300   -1.72757600    4.41106200
 H                 -1.95023400    2.76274300    1.90803100
 H                 -0.91175400    3.88050900    2.79952500
 H                 -0.51933700    3.42965900    1.13511200
 H                  2.38156800    1.44670900    3.81390500
 H                  1.57549900    2.95731700    4.25477400
 H                  2.31246500    2.78265000    2.66096800
 H                 -1.03340600    1.79588500    4.97861100
 H                 -1.87279900    0.60122200    3.98699500
 H                 -0.36874400    0.16937500    4.81475000
 H                 -5.23857300    1.12020800    1.24644600
 H                 -6.54803700    3.18920000    1.55637800
 H                 -5.94800000    5.24643200    0.30306500
 H                 -4.00602800    5.21935900   -1.24394800
 H                 -2.67225700    3.15359800   -1.52267800
 H                 -2.72122800   -3.18417800   -0.34358500
 H                 -4.37948900   -5.02396700   -0.35813600
 H                 -6.80566900   -4.50525000   -0.46022800
 H                 -7.55291900   -2.13975100   -0.55105000
 H                 -5.90014000   -0.31332600   -0.52020800
 H                  5.47274900    2.33729300    0.39687400
 H                  4.77528200    3.95619600    0.34790000
 H                  4.21510500    2.78992600    1.54939000
 H                  0.96574400    3.35383500   -1.28073500
 H                  2.19431800    4.59298600   -1.00816300
 H                  1.46034400    3.76330400    0.36374800
 H                  4.49730400    3.52124400   -2.51964000
 H                  4.78685300    1.78265800   -2.64935300
 H                  3.27988800    2.47747400   -3.25536000
 H                  6.17894800    0.31002500   -0.71984700
 H                  6.85610800   -1.24491700   -0.23037100
 H                  5.78738000   -1.15054700   -1.63201000
 H                  3.50276000   -3.30714300    1.27186000
 H                  5.23953600   -3.42163300    0.98822500
 H                  4.11993700   -3.43339300   -0.37699500
 H                  5.81574400   -0.98493600    2.62054800
 H                  5.07453900    0.58540500    2.28811900
 H                  4.10450800   -0.72163400    2.97070200
 Ge                 0.43196700   -0.16519600    1.12060500
 Ge                 2.49998100    0.03327800   -0.35017900

97
Compound 16b, B3LYP/6-311G(d,p)(H,C,Si), def2tzvp(Ge) E=-9146.94045 a.u.
Ge                -0.77314600    1.27237500   -1.63309400
 C                 -2.31625500    0.43145200   -0.64947100
 C                 -2.81978300   -0.81860600   -0.54914900
 Si                -1.96001100   -2.38643100   -1.21358100
 C                 -2.68790600   -2.74959300   -2.93515600
 C                 -2.40434500   -3.87598900   -0.12128100
 Si                 0.42197100   -2.33020300   -1.45070000
 C                  0.83170000   -1.61824500   -3.17376400
 C                  0.95610200   -4.16266700   -1.53265300
 C                 -3.01184700    1.66118400   -0.17671200
 C                 -3.42899700    2.65136300   -1.08915500
 C                 -3.99964300    3.84500300   -0.64039400
 C                 -4.16706900    4.07235700    0.71953900
 C                 -3.76201200    3.09796700    1.63709100
 C                 -3.18250600    1.91614900    1.19799800
 C                 -4.22602700   -1.03158800   -0.05827900
 C                 -4.50849100   -1.52265400    1.22376400
 C                 -5.82192400   -1.72461200    1.64209500
 C                 -6.88398800   -1.45154800    0.78302500
 C                 -6.62015200   -0.97101600   -0.49743100
 C                 -5.30676100   -0.76419800   -0.91225200
 Si                 2.81441400    2.40340000   -1.61442000
 C                  4.62743000    2.42659800   -1.05183900
 C                  2.28353000    4.21798500   -1.81396400
 C                  2.75946700    1.64658500   -3.35376300
 Si                 1.10321100    2.80942100    1.85237400
 C                  0.14471500    4.35868000    1.32851900
 C                  2.84639700    3.32474400    2.39990300
 C                  0.21615700    2.12683000    3.37915800
 Si                 4.05396900   -1.76970300    0.10142100
 C                  5.10550200   -0.67250000    1.23677200
 C                  4.69589200   -1.63262400   -1.67946400
 C                  4.35306800   -3.57047900    0.63282000
 Si                 0.98233000   -2.02406000    2.47191800
 C                  2.18898000   -1.47924400    3.83262100
 C                  0.96670500   -3.92381200    2.47306300
 C                 -0.76773300   -1.46976800    2.92788400
 H                 -2.49072800   -1.93730500   -3.63973000
 H                 -2.26988800   -3.66949200   -3.35630100
 H                 -3.77262800   -2.87925500   -2.86774400
 H                 -3.48848900   -4.00929500   -0.07695400
 H                 -1.97199600   -4.78938100   -0.54047100
 H                 -2.04094100   -3.77641500    0.90408100
 H                  0.50569200   -0.58315100   -3.31707700
 H                  1.90634200   -1.64927700   -3.37150100
 H                  0.33359900   -2.21912900   -3.94160600
 H                  2.02105300   -4.24175800   -1.76982300
 H                  0.78152800   -4.69074000   -0.59315000
 H                  0.40523900   -4.68745900   -2.32012500
 H                 -3.35193000    2.46226800   -2.15334200
 H                 -4.32473900    4.58644800   -1.36158600
 H                 -4.61592600    4.99528900    1.06851200
 H                 -3.90108900    3.26476300    2.69961300
 H                 -2.87023800    1.16397400    1.91165000
 H                 -3.69381600   -1.73712900    1.90513600
 H                 -6.01460100   -2.09567600    2.64302500
 H                 -7.90584200   -1.61128100    1.10825900
 H                 -7.43804300   -0.75339200   -1.17586200
 H                 -5.10932900   -0.38724100   -1.90945300
 H                  5.07401500    1.43062400   -1.04675800
 H                  5.21017800    3.04543700   -1.74366600
 H                  4.74372500    2.84943900   -0.05116200
 H                  1.22928500    4.31497300   -2.08687700
 H                  2.87487700    4.67791100   -2.61376900
 H                  2.45324000    4.80155600   -0.90582800
 H                  3.44852200    2.19429200   -4.00656800
 H                  3.05132500    0.59483600   -3.37250700
 H                  1.76012500    1.72429100   -3.79018800
 H                 -0.88202400    4.10929000    1.04895000
 H                  0.09833600    5.06201400    2.16799300
 H                  0.60707600    4.87671900    0.48667800
 H                  3.46570800    2.46135100    2.65787900
 H                  2.78018200    3.96472600    3.28702500
 H                  3.36761300    3.89043900    1.62372900
 H                  0.19596300    2.91139800    4.14427800
 H                 -0.81846400    1.85911900    3.15668500
 H                  0.71339900    1.25733600    3.81157200
 H                  4.87456800   -0.86360800    2.28811700
 H                  6.17017700   -0.88377700    1.08738000
 H                  4.94711600    0.39136900    1.05083700
 H                  4.17333800   -2.32693000   -2.34368500
 H                  5.76027200   -1.89155100   -1.70609800
 H                  4.58905200   -0.62934900   -2.09549700
 H                  4.15866900   -3.72812600    1.69665900
 H                  3.73743500   -4.27682600    0.07042800
 H                  5.40278800   -3.82805000    0.45133400
 H                  2.35155700   -0.39919800    3.84486000
 H                  1.80094200   -1.77022600    4.81494300
 H                  3.16369800   -1.95895100    3.70977500
 H                  0.22653200   -4.32599900    1.77714100
 H                  0.70082700   -4.27899700    3.47532200
 H                  1.93672500   -4.35428000    2.21633700
 H                 -1.07308800   -1.93016200    3.87405300
 H                 -0.84035000   -0.38828900    3.03878600
 H                 -1.47937900   -1.77222300    2.15764000
 Ge                 1.24573800    1.29538700   -0.07354600
 Ge                 1.68832000   -1.17483800    0.29549400


