39
germolediide [8a] HF=-3127.55614
 C                 -1.34465000    0.11077200   -0.00446100
 C                  1.34465000    0.11077200    0.00445500
 C                 -0.70189400    1.38172400   -0.00625000
 C                  0.70189400    1.38172400    0.00624500
 Si                 3.11983400   -0.21283800   -0.00065200
 C                  3.54626100   -2.06116400   -0.12359600
 C                  4.11913600    0.58346300   -1.43942500
 C                  4.09532600    0.36983200    1.55348900
 Si                -3.11983400   -0.21283800    0.00065400
 C                 -4.09533700    0.36983900   -1.55347700
 C                 -3.54626000   -2.06116400    0.12359300
 C                 -4.11912500    0.58345700    1.43943800
 H                  3.06336300   -2.61576800    0.68514300
 H                  4.63117400   -2.21475600   -0.06791300
 H                  3.17484300   -2.47573300   -1.06423300
 H                  3.98680400    1.44758600    1.71206800
 H                  5.16585300    0.13889900    1.47354500
 H                  3.69279100   -0.13464400    2.43712700
 H                  3.73018800    0.21670800   -2.39421100
 H                  5.18749600    0.33754000   -1.37814800
 H                  4.01535100    1.67330000   -1.43789800
 H                 -3.06337200   -2.61576400   -0.68515400
 H                 -4.63117400   -2.21475500    0.06792000
 H                 -3.17483200   -2.47573900    1.06422400
 H                 -3.98681700    1.44759300   -1.71205300
 H                 -5.16586400    0.13890500   -1.47352600
 H                 -3.69280800   -0.13463400   -2.43712100
 H                 -3.73017200    0.21669400    2.39421900
 H                 -5.18748600    0.33753800    1.37816700
 H                 -4.01533700    1.67329400    1.43791800
 Ge                 0.00000000   -1.31876500   -0.00000400
 C                  1.45224100    2.70246200    0.00144400
 H                  2.50976600    2.56280700    0.24142900
 H                  1.40896100    3.20793500   -0.97797700
 H                  1.04597700    3.41355400    0.73529300
 C                 -1.45224100    2.70246200   -0.00144900
 H                 -1.04598400    3.41355000   -0.73530600
 H                 -2.50976800    2.56280600   -0.24142300
 H                 -1.40895100    3.20794000    0.97796900

57
germolediide [8b] HF=-3363.38575
 C                  1.34747300    0.24145400   -0.65533000
 C                 -1.34841800    0.24000100   -0.65827200
 C                  0.70032300    1.49948800   -0.46801800
 C                 -0.70298300    1.49888000   -0.47014400
 Si                -3.10663300   -0.15641700   -0.55480300
 C                 -3.51401900   -1.85986000   -1.29545500
 C                 -3.79411700   -0.22940200    1.27446000
 C                 -4.35661300    1.02007700   -1.43678700
 Si                 3.10663500   -0.15141100   -0.55450800
 C                  3.79558200   -0.23405700    1.27401500
 C                  3.51682700   -1.84980500   -1.30520300
 C                  4.35196400    1.03389000   -1.43077400
 H                 -3.45965300   -1.80537600   -2.38642900
 H                 -4.51839200   -2.20006700   -1.01456100
 H                 -2.77671500   -2.59866800   -0.97105200
 H                 -4.56828900    1.92916400   -0.86397400
 H                 -5.30961800    0.50679500   -1.61467400
 H                 -3.94083800    1.32293000   -2.40235300
 H                  2.78032700   -2.59142700   -0.98537200
 H                  4.52162400   -2.19077700   -1.02684300
 H                  3.46200300   -1.78847700   -2.39579600
 H                  3.93349500    1.34116900   -2.39376700
 H                  5.30650400    0.52510500   -1.61330200
 H                  4.56107300    1.94049000   -0.85311500
 Ge                 0.00054300   -1.17046000   -0.86150900
 C                 -1.44101600    2.81734500   -0.31590100
 H                 -2.52013200    2.68438400   -0.40849500
 H                 -1.25361200    3.29529700    0.65874500
 H                 -1.13929000    3.55064600   -1.07993000
 C                  1.43635700    2.81947300   -0.31796700
 H                  1.18530000    3.33774800    0.62053100
 H                  2.51822100    2.67868600   -0.33059500
 H                  1.19363400    3.52239300   -1.13084900
 C                  5.32455000   -0.32561300    1.31982800
 H                  5.79330600    0.56127200    0.88080000
 H                  5.67853500   -0.41043300    2.36058900
 H                  5.69250000   -1.20202100    0.77467900
 C                  3.19989800   -1.46171000    1.97070800
 H                  2.10743300   -1.45214200    1.90710200
 H                  3.54690700   -2.39051700    1.50448700
 H                  3.49353500   -1.48543400    3.03273900
 C                  3.34860800    1.02157200    2.02990800
 H                  3.78169500    1.92934800    1.59362000
 H                  2.25962100    1.12401600    1.99350200
 H                  3.66586800    0.97370100    3.08434800
 C                 -3.34287600    1.02918700    2.02279700
 H                 -2.25308000    1.12350300    1.99126900
 H                 -3.76640300    1.93668100    1.57656000
 H                 -3.66602100    0.99197600    3.07590100
 C                 -5.32323000   -0.31723300    1.32221200
 H                 -5.67622200   -0.39843500    2.36359300
 H                 -5.79046500    0.56950200    0.88132800
 H                 -5.69382800   -1.19426300    0.77977600
 C                 -3.20070700   -1.45482300    1.97698900
 H                 -3.55195300   -2.38524100    1.51716900
 H                 -2.10835200   -1.44909000    1.91074000
 H                 -3.49174000   -1.47130700    3.03986900

61
phospha-BCH-germylene 15a HF=-3760.76027
 Ge                 0.17199500    2.25748500   -0.60080900
 N                 -0.29303000   -1.99836300    0.11373600
 C                  1.56598600    1.59550800    2.39268200
 H                  1.17296500    2.50000000    2.85742500
 H                  2.60039200    1.78197900    2.10815200
 H                  1.57305000    0.80103600    3.14767700
 C                 -1.51798200    1.89373900    2.23446600
 H                 -1.92736000    1.10889800    2.88025500
 H                 -2.36336400    2.43479900    1.80713000
 H                 -0.94985000    2.58541500    2.85557500
 C                  0.74004600    1.14701900    1.21878900
 C                 -0.67409700    1.26747400    1.16035600
 C                  1.26589000    0.49741600    0.01934300
 C                 -1.21465300    0.67668000   -0.06250600
 C                 -4.09636000    0.05361500    0.88249400
 C                 -3.58236000    2.44581800   -0.97339200
 C                 -3.26036700   -0.41416500   -2.02190200
 H                 -3.67341300   -0.86555100    1.29678800
 H                 -4.19249500    0.77645600    1.69579600
 H                 -5.10374000   -0.17441900    0.52217000
 H                 -3.05858100    2.79947900   -1.86584200
 H                 -4.65525200    2.46622600   -1.18554200
 H                 -3.39056400    3.16439000   -0.17195600
 H                 -4.29242100   -0.36661100   -2.38026100
 H                 -2.59789600   -0.12356400   -2.84104200
 H                 -3.03612600   -1.45257000   -1.76545400
 C                  3.82482200    2.15322900   -0.45832700
 C                  4.06271200   -0.63689100    0.80685900
 C                  3.29122500   -0.29613800   -2.14266600
 H                  3.39370500    2.72440600   -1.28592500
 H                  3.66683100    2.73072700    0.45505200
 H                  4.90400100    2.09310800   -0.62861100
 H                  3.72384800   -1.67601300    0.79031500
 H                  5.12549300   -0.62926800    0.54737500
 H                  3.96729800   -0.27272700    1.83337900
 H                  4.29915900   -0.08480600   -2.51139700
 H                  3.14846000   -1.37715100   -2.16350000
 H                  2.57438600    0.15130900   -2.83612100
 Si                 3.08736000    0.41476000   -0.41706600
 Si                -3.02836200    0.69934000   -0.53138400
 C                 -0.01624700   -3.29135200   -0.54298800
 C                  1.35362700   -3.34411000   -1.22386200
 C                 -1.12376400   -3.66382300   -1.52856200
 H                 -0.00463900   -4.04489900    0.24802100
 H                  2.13729400   -3.01094300   -0.53792800
 H                  1.58167800   -4.36396900   -1.54511500
 H                  1.36641700   -2.70043800   -2.10609000
 H                 -2.09197400   -3.69089000   -1.02388400
 H                 -1.17230500   -2.92197100   -2.33052700
 H                 -0.93461500   -4.64271900   -1.97774300
 C                 -0.44422400   -2.02862000    1.57267300
 C                  0.88506700   -2.29431100    2.28644800
 C                 -1.52973500   -3.00921400    2.02956900
 H                 -0.78880900   -1.03326500    1.86012600
 H                  1.62239200   -1.53917200    2.00529200
 H                  0.75856900   -2.27643800    3.37296700
 H                  1.28184900   -3.27734400    2.01292800
 H                 -2.44555400   -2.85996200    1.45409100
 H                 -1.22235400   -4.05194600    1.91922800
 H                 -1.75353700   -2.84817100    3.08723800
 P                 -0.04660400   -0.54620300   -0.78592400

75
phospha-BCH-germylene 16a HF=-3994.19581
 Ge                -2.81656100    0.50550800   -0.90413600
 P                 -0.01411700    0.21187000   -0.93303900
 N                  1.34781600   -0.31568800   -0.00975700
 C                 -2.36057400    1.13707800    2.37306400
 H                 -3.26362800    0.62952200    2.71173700
 H                 -2.57902500    2.20120800    2.29438100
 H                 -1.59299500    1.01839300    3.14646600
 C                 -2.72109000   -1.82017100    1.46884800
 H                 -1.99672000   -2.41153100    2.04088800
 H                 -3.25643100   -2.50932300    0.81394800
 H                 -3.43760000   -1.38868400    2.16673300
 C                 -1.84047300    0.58142100    1.07629600
 C                 -1.99324300   -0.77177500    0.67568000
 C                 -1.08708800    1.34461100    0.08229900
 C                 -1.32208600   -1.03592300   -0.59735900
 C                 -0.86901100   -4.07739000   -0.24373800
 C                 -3.01643600   -3.07273900   -2.19452300
 C                 -0.04206100   -2.65449000   -2.82238600
 H                 -0.04527100   -3.76900900    0.40657500
 H                 -1.70948400   -4.36609800    0.39148500
 H                 -0.54656900   -4.96873700   -0.78975000
 H                 -3.25928500   -2.34929200   -2.97772200
 H                 -3.03296200   -4.07040400   -2.64260400
 H                 -3.81483400   -3.03179900   -1.44836300
 H                 -0.05616100   -3.58597000   -3.39508800
 H                 -0.22408700   -1.82487200   -3.50993200
 H                  0.95936500   -2.52543700   -2.40335700
 C                 -2.59870800    4.03572900    0.09840800
 C                  0.04626700    3.77960000    1.64946300
 C                 -0.00145700    3.79723500   -1.42002300
 H                 -3.08629500    3.85976700   -0.86514800
 H                 -3.27986700    3.68772200    0.87785000
 H                 -2.48602700    5.11767700    0.21661200
 H                  1.05592500    3.36049200    1.66201400
 H                  0.13696400    4.86983700    1.65594300
 H                 -0.44935700    3.48012900    2.57679900
 H                 -0.20123700    4.86126200   -1.57651600
 H                  1.07912500    3.66891200   -1.34411200
 H                 -0.34445500    3.25356600   -2.30427000
 Si                -0.90021400    3.20946300    0.12173700
 Si                -1.32378500   -2.70187900   -1.45460100
 C                  2.70175300    0.07459500   -0.43713300
 C                  3.21697900   -0.79509900   -1.58911100
 C                  2.83033100    1.55824400   -0.80009400
 H                  3.36598000   -0.08664500    0.41974800
 C                  4.65728800   -0.43598300   -1.96270600
 H                  2.55638700   -0.64396200   -2.45225400
 H                  3.14068300   -1.84858400   -1.30376600
 C                  4.27599400    1.91896500   -1.14905100
 H                  2.19033400    1.76717800   -1.66386400
 H                  2.46217200    2.16464100    0.03493500
 C                  4.78969300    1.05073200   -2.29984100
 H                  4.99316300   -1.04942000   -2.80299000
 H                  5.31657000   -0.67081300   -1.11720900
 H                  4.34625400    2.97870100   -1.40942100
 H                  4.91286400    1.76565000   -0.26868200
 H                  5.82981900    1.29788300   -2.52894400
 H                  4.20298200    1.26822200   -3.20037300
 C                  1.22368500   -0.89353500    1.32809700
 C                  2.14147800   -2.10143500    1.56196700
 C                  1.38911500    0.13880600    2.45171400
 H                  0.20463900   -1.28556100    1.39978900
 C                  1.84340900   -2.73806000    2.92259000
 H                  3.19437800   -1.79820500    1.53857100
 H                  1.99844700   -2.82228900    0.75137500
 C                  1.10797200   -0.49423100    3.81686700
 H                  2.41245900    0.53740200    2.43215300
 H                  0.71413600    0.97910100    2.26286300
 C                  1.99665400   -1.71782300    4.05376400
 H                  2.50111200   -3.59485800    3.09100800
 H                  0.81557300   -3.12419400    2.92238800
 H                  1.24594800    0.23949900    4.61584300
 H                  0.05544900   -0.80767400    3.85161500
 H                  1.76047500   -2.17936900    5.01632400
 H                  3.04370400   -1.39486000    4.10410200

56
phospha-BCH-germylene 17a HF=-3720.26093
 C                 -0.66514200   -1.10833400    1.24892400
 C                  0.74964300   -1.00319300    1.28778500
 C                  1.28420400   -0.54427800    0.00952400
 P                 -0.01336000    0.35361500   -0.96031300
 C                 -1.19956900   -0.70420600   -0.05081400
 Ge                 0.17022800   -2.36889500   -0.34560700
 N                 -0.23451700    1.94135000   -0.28898000
 C                  1.58842300   -1.31421200    2.49549300
 C                 -1.51604100   -1.55570800    2.40399300
 C                 -0.26150200    2.17089700    1.15172400
 C                 -0.91787500    3.51016300    1.48865400
 C                 -0.23992000    4.65924300    0.74395700
 C                 -0.21865900    4.36530500   -0.75561000
 C                  0.44399400    3.01534700   -1.01583400
 Si                -3.01481600   -0.68576300   -0.51319100
 C                 -3.16925700    0.08982900   -2.21374000
 C                 -3.96720200    0.36755200    0.72441600
 C                 -3.73757200   -2.42543400   -0.56996700
 Si                 3.10157900   -0.35167300   -0.39324900
 C                  3.91907900    0.82336300    0.83236100
 C                  3.24065300    0.37715400   -2.11747600
 C                  3.99619900   -2.01056100   -0.37333900
 H                  1.11563400   -2.04247200    3.15392400
 H                  2.56759400   -1.69894800    2.20929400
 H                  1.75180900   -0.39400400    3.06626900
 H                 -0.98471900   -2.23122700    3.07376700
 H                 -1.83339400   -0.68087900    2.98227900
 H                 -2.41767900   -2.06052700    2.05650100
 H                 -0.82351800    1.36258400    1.62314800
 H                  0.76337200    2.14793800    1.56581500
 H                 -1.97278800    3.46255700    1.19775900
 H                 -0.88031100    3.67127400    2.56985700
 H                 -0.74866600    5.60460300    0.94836100
 H                  0.79120800    4.76513600    1.10367000
 H                 -1.24309300    4.33328700   -1.14100800
 H                  0.31842600    5.14836900   -1.29798700
 H                  0.42524200    2.77254600   -2.08141600
 H                  1.50474300    3.08106600   -0.71045200
 H                 -2.59500800   -0.46730200   -2.95798900
 H                 -4.21509500    0.11054600   -2.53256500
 H                 -2.79296300    1.11632600   -2.20504300
 H                 -3.98330300   -0.07376000    1.72377600
 H                 -5.00392500    0.50325900    0.40336300
 H                 -3.50526900    1.35663300    0.79694400
 H                 -3.21996000   -3.02860400   -1.32111000
 H                 -3.66784400   -2.95286600    0.38441900
 H                 -4.79509000   -2.38597700   -0.84695600
 H                  3.93310300    0.41771100    1.84686500
 H                  4.95319300    1.02819400    0.54070100
 H                  3.38449700    1.77743300    0.86023600
 H                  2.71613100   -0.24224200   -2.84927600
 H                  4.28952300    0.45057900   -2.41830700
 H                  2.80507900    1.37889900   -2.16356700
 H                  5.05885800   -1.87070300   -0.59193300
 H                  3.92311800   -2.52772800    0.58641600
 H                  3.58441400   -2.67418600   -1.13891700

68
phospha-BCH-germylene 18a HF=-3877.46387
 C                 -1.77456200    0.28493200    1.20316000
 C                 -1.31475000   -1.05813100    1.27858700
 C                 -0.50305000   -1.40771200    0.11785700
 P                  0.19348800    0.10131500   -0.72079200
 C                 -1.27106000    0.95594700    0.00711800
 Ge                -2.44552600   -0.76040700   -0.59436500
 N                  1.70946700    0.69484300   -0.05119500
 C                 -1.58991000   -1.97866600    2.43283500
 C                 -2.62502400    0.95172100    2.24701400
 C                  2.07255500    0.75448100    1.40086600
 C                  3.23925900    1.73275800    1.63854800
 C                  4.43668400    1.49532400    0.73970500
 C                  3.96163100    1.59757100   -0.69680400
 C                  2.84041700    0.60481400   -1.05007100
 Si                -1.79692700    2.67350400   -0.53970000
 C                 -0.82101500    3.14955900   -2.06850100
 C                 -1.47403400    3.98618700    0.77605600
 C                 -3.63421900    2.67900000   -0.96881900
 Si                 0.00025600   -3.14510900   -0.39353300
 C                  1.51191600   -3.78753500    0.52857900
 C                  0.32052500   -3.12787200   -2.24693000
 C                 -1.39614100   -4.38823500   -0.10084000
 H                 -2.50801500   -1.72506300    2.96213800
 H                 -1.65830200   -3.01521000    2.10700500
 H                 -0.75810700   -1.91026300    3.14390100
 H                 -3.23070200    0.23940300    2.80635000
 H                 -1.97843000    1.48415400    2.95367300
 H                 -3.29430200    1.68780700    1.80079000
 H                  2.86737200    2.75028100    1.46694500
 H                  3.51942200    1.66439800    2.69423600
 H                  5.21356700    2.23865900    0.93764500
 H                  4.88516400    0.51632300    0.93576600
 H                  3.58564300    2.61236500   -0.87383800
 H                  4.78631900    1.43121700   -1.39625700
 H                 -0.83278000    2.35632800   -2.81998500
 H                 -1.23501800    4.05749300   -2.51614400
 H                  0.22062600    3.34914700   -1.80513700
 H                 -1.91891200    3.74374200    1.74365600
 H                 -1.89276600    4.94237000    0.44758100
 H                 -0.40099400    4.13205600    0.92469900
 H                 -3.82419200    2.03992300   -1.83597100
 H                 -4.26951400    2.32315200   -0.15358400
 H                 -3.96096400    3.69118100   -1.22439200
 H                  1.33399900   -3.80576100    1.60792400
 H                  1.72462400   -4.81235800    0.20924300
 H                  2.40319600   -3.18408300    0.34652500
 H                 -0.61876100   -2.95783900   -2.78151600
 H                  0.72115100   -4.09277600   -2.57098700
 H                  1.01510800   -2.34588700   -2.55768600
 H                 -1.28059600   -5.21837400   -0.80419100
 H                 -1.37908200   -4.81537700    0.90442800
 H                 -2.38574200   -3.95366800   -0.26963500
 C                  2.38370100    1.00494200   -2.46676500
 H                  1.80372700    1.92816900   -2.44134200
 H                  3.27714300    1.17423800   -3.07424600
 H                  1.78244900    0.23946700   -2.95347800
 C                  3.42369700   -0.81736000   -1.15535200
 H                  3.98337400   -1.11956800   -0.27113400
 H                  2.61965600   -1.53919700   -1.31261300
 H                  4.10202100   -0.87717900   -2.01167200
 C                  2.41803300   -0.62693500    1.98925900
 H                  2.50032000   -0.55058800    3.07811200
 H                  1.62349100   -1.33777000    1.75538700
 H                  3.35851500   -1.03104900    1.61723600
 C                  0.91547500    1.31027500    2.24146100
 H                  0.43993900    2.16044700    1.75137200
 H                  0.16649700    0.55005300    2.44876600
 H                  1.31474700    1.64112800    3.20385900

79
phospha-BCH-germylene 15b HF=-3996.57319
 Ge                -0.17810700   -1.89090100   -0.11713700
 N                  0.35503100    2.40647900   -0.07159000
 C                 -1.60867500   -0.65088300    2.71501000
 H                 -1.57345700   -1.67477600    3.09346100
 H                 -2.64886200   -0.38808200    2.54032500
 H                 -1.22507000    0.00999800    3.49905500
 C                  1.38709300   -1.06309600    2.69056900
 H                  1.77381300   -0.18439400    3.21975200
 H                  2.24179800   -1.68260600    2.42197100
 H                  0.75698300   -1.62653500    3.37904200
 C                 -0.78462600   -0.46247100    1.46711000
 C                  0.62412500   -0.62481000    1.47282900
 C                 -1.27445600   -0.05182400    0.15218000
 C                  1.22365700   -0.26964400    0.18334400
 C                  4.03710300    0.37236000    1.32390300
 C                  3.77020900   -1.98071400   -0.65976900
 C                  3.36875400    0.92286900   -1.59427000
 H                  3.50043800    1.19218200    1.81000600
 H                  4.22314900   -0.39894500    2.07529800
 H                  5.00732600    0.75889400    0.99879200
 H                  4.41163400    0.89205700   -1.92087700
 H                  2.73000600    0.70119800   -2.45265100
 H                  3.14516600    1.94221000   -1.27214100
 C                 -4.04607700   -1.60470600   -0.30537100
 C                 -4.01472600    1.33566300    0.65517400
 C                 -3.13966300    0.60318700   -2.18262200
 H                 -3.43319100    2.25644600    0.74717300
 H                 -4.96282500    1.58786800    0.17173400
 H                 -4.24419100    0.98474100    1.66518400
 H                 -4.09590600    0.31780100   -2.62940600
 H                 -3.04451100    1.68400900   -2.28100100
 H                 -2.33963200    0.13952600   -2.76531600
 Si                -3.08062600    0.05940800   -0.38047400
 Si                 3.07239600   -0.26802600   -0.17200700
 C                  0.09809400    3.61473000   -0.88256900
 C                 -1.23221600    3.56737300   -1.63282900
 C                  1.24546600    3.91106000   -1.84838700
 H                  0.02760900    4.44851400   -0.17937100
 H                 -2.04848500    3.31352300   -0.95160400
 H                 -1.44556100    4.53942800   -2.08516900
 H                 -1.19780000    2.82293900   -2.43074600
 H                  2.18361900    4.05078500   -1.30780300
 H                  1.36964700    3.07795600   -2.54550800
 H                  1.04093500    4.81655300   -2.42644100
 C                  0.59510800    2.63750800    1.35794200
 C                 -0.68298700    3.03831300    2.10083100
 C                  1.73472000    3.63140000    1.60533200
 H                  0.93213500    1.68476800    1.76849500
 H                 -1.44435100    2.26410400    1.97990400
 H                 -0.49020000    3.17588700    3.16880900
 H                 -1.08611000    3.97809800    1.71051900
 H                  2.62743700    3.32997300    1.05209900
 H                  1.47394700    4.64973900    1.30688300
 H                  1.98056700    3.65645900    2.67029800
 P                  0.09512200    0.84285700   -0.76042500
 C                  3.19221700   -2.41250200   -2.01454700
 H                  3.59011900   -3.39423800   -2.29849500
 H                  2.10150200   -2.49389300   -1.98938000
 H                  3.45615400   -1.70588300   -2.80633300
 C                  5.29841900   -1.87054400   -0.78703600
 H                  5.76539500   -1.59548000    0.16322000
 H                  5.71818300   -2.83588900   -1.09456400
 H                  5.59480600   -1.13188500   -1.53717200
 C                  3.45253700   -3.05207800    0.39142700
 H                  3.89845600   -2.81061500    1.36168800
 H                  2.37592900   -3.19077800    0.53247400
 H                  3.86574000   -4.01849900    0.07766600
 C                 -3.63148200   -2.51491200   -1.47241000
 H                 -2.57686500   -2.79872900   -1.42384600
 H                 -4.21803500   -3.44121100   -1.44481500
 H                 -3.80695300   -2.04186500   -2.44174600
 C                 -3.85916000   -2.37715400    1.00634500
 H                 -2.81512000   -2.65682500    1.17640200
 H                 -4.20758500   -1.80458200    1.87061700
 H                 -4.44469100   -3.30424800    0.97464800
 C                 -5.54385800   -1.28416500   -0.45552900
 H                 -6.11835500   -2.21668600   -0.50762900
 H                 -5.92175000   -0.70951200    0.39433300
 H                 -5.75785900   -0.71800100   -1.36714900

93
phospha-BCH-germylene 16b HF=-4230.00910
 Ge                -0.61815700   -2.43184200   -0.26678500
 N                  0.58408200    1.72316700   -0.08058700
 C                 -1.63931800   -1.14237300    2.71356600
 H                 -1.71195700   -2.17723300    3.05513400
 H                 -2.64577100   -0.74255700    2.62258600
 H                 -1.12194900   -0.56819000    3.48913200
 C                  1.25591300   -1.98507000    2.44422300
 H                  1.81333600   -1.19647900    2.96427400
 H                  1.98135400   -2.71653000    2.09001100
 H                  0.60020000   -2.47223800    3.16619000
 C                 -0.88265900   -1.01106700    1.41668500
 C                  0.48075500   -1.38473200    1.30612300
 C                 -1.39494700   -0.46339500    0.16191500
 C                  1.03381200   -1.06043100   -0.01279200
 C                  3.98860700   -0.89289400    0.92087000
 C                  3.22521000   -3.08319700   -1.11890500
 C                  3.19347800   -0.11048200   -1.91320800
 H                  3.62130900   -0.02411100    1.47499300
 H                  4.10714400   -1.71668100    1.62909800
 H                  4.98063000   -0.64262200    0.53393000
 H                  4.19431000   -0.27443500   -2.32157800
 H                  2.46822700   -0.19975300   -2.72559900
 H                  3.14341500    0.91465700   -1.53931400
 C                 -4.39902900   -1.54118500   -0.15585900
 C                 -3.83794200    1.28488400    0.97346200
 C                 -3.30721300    0.63846500   -1.96686800
 H                 -3.10520900    2.08869200    1.08240500
 H                 -4.75833800    1.72405200    0.57803300
 H                 -4.06074600    0.89936700    1.97216400
 H                 -4.31647600    0.49144500   -2.36057100
 H                 -3.09889000    1.70782500   -1.99918300
 H                 -2.60456100    0.13591700   -2.63648900
 Si                -3.19492300   -0.04034800   -0.21211900
 Si                 2.83041600   -1.31193200   -0.51502300
 P                  0.02919000    0.25897200   -0.81761400
 C                  2.49021200   -3.36022000   -2.43758900
 H                  2.71391700   -4.37511100   -2.78794600
 H                  1.40459700   -3.28164500   -2.32724300
 H                  2.79760300   -2.66303100   -3.22203500
 C                  4.73889100   -3.19384100   -1.36398600
 H                  5.31078100   -3.03746300   -0.44462900
 H                  4.98436800   -4.19436800   -1.73998700
 H                  5.08700000   -2.47107200   -2.10739000
 C                  2.82700800   -4.14423000   -0.08488800
 H                  3.37299200   -4.01691300    0.85546500
 H                  1.75473300   -4.12877100    0.13494900
 H                  3.06604700   -5.14529800   -0.46424600
 C                 -4.20735300   -2.42443300   -1.39887600
 H                 -3.20924500   -2.86816700   -1.44295500
 H                 -4.92884500   -3.25026100   -1.38060600
 H                 -4.36705700   -1.86692600   -2.32509100
 C                 -4.24587600   -2.41671500    1.09420700
 H                 -3.24644400   -2.85511500    1.17308900
 H                 -4.44979400   -1.85719000    2.01160100
 H                 -4.96380600   -3.24517100    1.05414800
 C                 -5.83574700   -0.99005300   -0.17357800
 H                 -6.55020300   -1.82001200   -0.22934100
 H                 -6.06097600   -0.41953700    0.73150700
 H                 -6.02119400   -0.34171500   -1.03529900
 C                  0.99091600    1.81342600    1.32335900
 C                  2.28721400    2.61024200    1.53003300
 C                 -0.12639900    2.32661000    2.24235300
 H                  1.22479800    0.79575600    1.64635500
 C                  2.71510500    2.56923700    2.99994600
 H                  2.15126300    3.65595000    1.23126100
 H                  3.06751600    2.19186300    0.88605200
 C                  0.31176800    2.30288200    3.70891300
 H                 -0.39528300    3.35191600    1.95554300
 H                 -1.01593700    1.70680100    2.09304100
 C                  1.60515900    3.09417600    3.91345700
 H                  3.63243300    3.14679500    3.14100400
 H                  2.94845600    1.53358700    3.28071400
 H                 -0.48305800    2.69161700    4.35121200
 H                  0.48352000    1.26114800    4.01255800
 H                  1.91950900    3.04690700    4.95950100
 H                  1.42017900    4.15060200    3.68341600
 C                  0.44361600    3.00507400   -0.79487400
 C                  1.55703400    3.23162800   -1.82377400
 C                 -0.92527000    3.19097700   -1.45436000
 H                  0.52591600    3.79825100   -0.04230600
 C                  1.43623200    4.60523400   -2.48886900
 H                  1.49159300    2.43920900   -2.57983500
 H                  2.52884700    3.12945400   -1.33285000
 C                 -1.05098400    4.57367100   -2.09736600
 H                 -1.05270900    2.42457400   -2.22572300
 H                 -1.70693500    3.03443900   -0.70314300
 C                  0.05897200    4.79723300   -3.12640900
 H                  2.22441800    4.73170900   -3.23582500
 H                  1.59126100    5.38486600   -1.73190300
 H                 -2.03360800    4.68100800   -2.56520500
 H                 -0.98385600    5.34501300   -1.31979500
 H                 -0.02223400    5.79556100   -3.56475600
 H                 -0.06188700    4.07719000   -3.94456400

74
phospha-BCH-germylene 17b HF=-3956.07705
 Ge                -0.26877300   -1.95924200    0.06821900
 C                 -1.67556400   -0.60168200    2.77181700
 H                 -1.20272500   -1.22824400    3.52694400
 H                 -2.63716800   -1.04526600    2.51609200
 H                 -1.87467600    0.37929400    3.21569900
 C                  1.41696100   -0.94193800    2.74709500
 H                  1.80767300   -0.02969200    3.21072500
 H                  2.27212500   -1.55621300    2.46815200
 H                  0.83894200   -1.48429500    3.49412800
 C                 -0.81644600   -0.42940500    1.55094200
 C                  0.59643400   -0.58004900    1.54112800
 C                 -1.32842900   -0.07502200    0.22865800
 C                  1.15949300   -0.32300300    0.21577100
 C                  4.00087400    0.44404300    1.18811200
 C                  3.69903100   -2.03685800   -0.63503600
 C                  3.19314900    0.80106300   -1.72507700
 H                  3.46856300    1.29335800    1.62592100
 H                  4.21873800   -0.26549400    1.98995700
 H                  4.95547300    0.81348400    0.80292100
 H                  4.23631700    0.83341900   -2.05107700
 H                  2.57768600    0.46737300   -2.56360700
 H                  2.88094000    1.81806000   -1.47280100
 C                 -4.16357300   -1.28010100   -0.57659400
 C                 -3.96295500    1.25109700    1.19015500
 C                 -3.11505300    1.37644800   -1.72771400
 H                 -3.28439900    2.01243600    1.58542500
 H                 -4.84738700    1.76429100    0.80223900
 H                 -4.28356200    0.62133400    2.02343500
 H                 -4.13329600    1.58436400   -2.06763700
 H                 -2.63907200    2.33474100   -1.50159100
 H                 -2.56074000    0.92091600   -2.55124900
 Si                -3.12584000    0.28034600   -0.19846500
 Si                 2.99130100   -0.31013100   -0.22081700
 P                  0.00868600    0.68226400   -0.80909500
 C                  3.06734500   -2.56343700   -1.93099900
 H                  3.46176300   -3.55972300   -2.16472100
 H                  1.97942500   -2.64958200   -1.85181900
 H                  3.28992600   -1.91109500   -2.77981700
 C                  5.21744300   -1.91153500   -0.83866500
 H                  5.72149900   -1.57347500    0.07152300
 H                  5.64107900   -2.88629700   -1.10897600
 H                  5.46476700   -1.21289200   -1.64314300
 C                  3.44333100   -3.04223400    0.49514600
 H                  3.92155500   -2.73128000    1.42960100
 H                  2.37509700   -3.18703400    0.68676800
 H                  3.86089000   -4.02074900    0.22826700
 C                 -3.66703700   -1.93765100   -1.87159100
 H                 -2.61559400   -2.23304400   -1.80615200
 H                 -4.25145100   -2.84115600   -2.08332200
 H                 -3.77256500   -1.26618200   -2.72813800
 C                 -4.09420700   -2.29996500    0.56743600
 H                 -3.07300500   -2.64980800    0.75008400
 H                 -4.48838500   -1.88701800    1.50159600
 H                 -4.70027100   -3.18056500    0.32193400
 C                 -5.63134200   -0.86348100   -0.76450400
 H                 -6.23965900   -1.74012300   -1.01763300
 H                 -6.04763300   -0.42496200    0.14705900
 H                 -5.75002700   -0.13834900   -1.57486000
 C                  0.00975000    3.38857400   -1.26857300
 C                  0.28762900    2.76968300    1.06933500
 C                  1.05082100    4.50062800   -1.14555900
 H                 -0.98684700    3.82953000   -1.09337100
 H                  0.00737900    2.96225900   -2.27498000
 C                  1.32692000    3.87511500    1.26696000
 H                 -0.70743300    3.14833900    1.36181500
 H                  0.51880900    1.92361200    1.71823900
 C                  1.09064000    5.02689400    0.28977500
 H                  0.81241100    5.30578500   -1.84630500
 H                  2.03290300    4.10171600   -1.42022000
 H                  1.29503100    4.23060500    2.30102200
 H                  2.32133800    3.44938800    1.09126600
 H                  1.86354200    5.79141200    0.40149000
 H                  0.13105000    5.50519600    0.52282500
 N                  0.26624100    2.31532700   -0.31406400

48
aminophosphole 19a HF=-1526.54959
 N                 -0.00020600    1.98035000    0.34207100
 C                 -1.48173900   -2.97212700    0.37876100
 H                 -1.21524900   -3.73618900   -0.35793200
 H                 -2.56110600   -2.83204900    0.33988600
 H                 -1.22446000   -3.37418600    1.36321700
 C                  1.48185000   -2.97219600    0.37832100
 H                  1.22250600   -3.37624100    1.36140300
 H                  2.56123600   -2.83154600    0.34213500
 H                  1.21740800   -3.73498700   -0.36044600
 C                 -0.74294700   -1.68936600    0.10863700
 C                  0.74306300   -1.68932900    0.10874300
 C                 -1.31023300   -0.48474100   -0.15360800
 C                  1.31034400   -0.48464600   -0.15327700
 C                  3.90140000   -0.41386800    1.48864500
 C                  4.04221800   -0.89018000   -1.55797500
 C                  3.23171100    1.84990900   -0.44073700
 H                  3.35170700    0.08251500    2.29292300
 H                  3.90594400   -1.48527800    1.70035700
 H                  4.93656800   -0.06221900    1.52133200
 H                  3.60215400   -0.64152400   -2.52695600
 H                  5.09395200   -0.59067600   -1.57650700
 H                  4.00366500   -1.97619900   -1.44423100
 H                  4.27555200    2.16300000   -0.53008800
 H                  2.70665200    2.15953000   -1.34886600
 H                  2.78569200    2.38676800    0.40075900
 C                 -4.04251300   -0.89024300   -1.55785500
 C                 -3.90075500   -0.41407500    1.48878800
 C                 -3.23185400    1.84974400   -0.44091000
 H                 -3.60245300   -0.64190300   -2.52691800
 H                 -4.00447700   -1.97626500   -1.44400000
 H                 -5.09411300   -0.59026000   -1.57630900
 H                 -3.35123900    0.08297200    2.29278000
 H                 -4.93617600   -0.06318400    1.52161900
 H                 -3.90440100   -1.48542600    1.70081800
 H                 -4.27575800    2.16260500   -0.53036900
 H                 -2.78599600    2.38677800    0.40055400
 H                 -2.70681100    2.15937700   -1.34904500
 Si                -3.11998100   -0.00807500   -0.17570500
 Si                 3.12008500   -0.00793800   -0.17561500
 P                  0.00008200    0.64896400   -0.70072600
 C                 -0.00051600    1.84293000    1.78367400
 H                 -0.88921700    2.31519300    2.22467800
 H                 -0.00032500    0.78580200    2.05563100
 H                  0.88775200    2.31561100    2.22508600
 C                 -0.00005800    3.34243600   -0.14707600
 H                  0.88857200    3.88721700    0.19849200
 H                  0.00035200    3.34537600   -1.23768300
 H                 -0.88899100    3.88716300    0.19779500

60
aminophosphole 20a HF=-1683.76499
 N                  0.27214400    1.61257900   -0.23428500
 C                  1.42258500   -3.24290900   -0.79353200
 H                  0.94047400   -4.13899300   -0.39295300
 H                  2.46614100   -3.25676000   -0.48535400
 H                  1.39389800   -3.32312700   -1.88488600
 C                 -1.50641400   -3.06810100   -1.06658700
 H                 -0.94160800   -3.47278700   -1.90885600
 H                 -2.48155100   -2.76072900   -1.44008000
 H                 -1.65592200   -3.88518300   -0.35312900
 C                  0.71640500   -1.99617500   -0.32772300
 C                 -0.76394800   -1.91432300   -0.44133800
 C                  1.30628300   -0.90608600    0.21642200
 C                 -1.32411500   -0.78119400    0.05616000
 C                 -4.12218800    0.05783900   -1.07437200
 C                 -3.91594900   -2.27941800    0.88443500
 C                 -3.48423900    0.50962400    1.89861800
 H                 -3.90079000    1.11164700   -1.26005600
 H                 -3.88853900   -0.49988100   -1.98541200
 H                 -5.19771200   -0.02837400   -0.89342700
 H                 -3.27287700   -2.80768000    1.59387500
 H                 -4.87721200   -2.10448400    1.37640400
 H                 -4.09884100   -2.94043800    0.03670200
 H                 -4.38022900    0.15967700    2.41828500
 H                 -2.65468400    0.48433500    2.60942100
 H                 -3.65629300    1.54711600    1.61154400
 C                  3.76653800   -1.91198400    1.77743100
 C                  4.08669300   -0.86846600   -1.11040700
 C                  3.47944800    1.05194300    1.18284900
 H                  3.24434400   -1.77113300    2.72734000
 H                  3.61502600   -2.94750700    1.46591100
 H                  4.83597100   -1.76831100    1.95741400
 H                  3.68173900   -0.20303700   -1.87744400
 H                  5.14135000   -0.61487000   -0.96882600
 H                  4.03869500   -1.88842900   -1.49772600
 H                  4.53590100    1.14543700    1.45055500
 H                  3.24307000    1.81977900    0.44487300
 H                  2.88400100    1.25463600    2.07667100
 Si                 3.14460400   -0.66560400    0.50890600
 Si                -3.17174000   -0.60663400    0.41064900
 C                 -0.09044100    2.96101700    0.23621500
 C                  0.84551900    3.44815700    1.33961400
 C                 -1.54588400    3.06685700    0.68979900
 H                  0.04111100    3.62178200   -0.62451800
 H                  1.87378500    3.50744600    0.98235800
 H                  0.53845500    4.43692600    1.69025600
 H                  0.81459000    2.76145200    2.19014700
 H                 -2.22193000    2.63955100   -0.05499300
 H                 -1.67769700    2.52643900    1.62991700
 H                 -1.82722000    4.10977000    0.85934000
 C                  0.36480000    1.42192100   -1.69132400
 C                  1.56279200    2.17973300   -2.26756500
 C                 -0.92954600    1.76634500   -2.43083900
 H                  0.55208000    0.35546300   -1.84220800
 H                  2.47799000    1.89468700   -1.74524900
 H                  1.68227300    1.94910000   -3.32932400
 H                  1.44121300    3.26264300   -2.17795900
 H                 -1.75488800    1.16765400   -2.04201400
 H                 -1.18284300    2.82599400   -2.33063500
 H                 -0.82349400    1.55086900   -3.49721700
 P                  0.02113900    0.25559500    0.78468900

74
aminophosphole 21a HF=-1917.19553
 C                 -0.96622600   -1.68164600   -0.33959800
 C                 -1.88444200    0.78708700   -0.55493300
 P                 -0.32033100   -0.05769700   -0.87689100
 C                  0.43479800   -3.15716300   -2.57423700
 C                  1.56720800   -3.49163500    0.24647200
 C                 -0.98204600   -4.86248000   -0.52477900
 H                 -0.47156500   -3.07583300   -3.18040600
 H                  1.05395600   -2.28621400   -2.79840400
 H                  0.97554100   -4.05522200   -2.88724500
 H                  1.35830800   -3.69852500    1.29896000
 H                  2.10170200   -4.35455400   -0.16336900
 H                  2.23134900   -2.62931500    0.19659700
 H                 -0.32989700   -5.67846300   -0.85261600
 H                 -1.25041100   -5.06008300    0.51561300
 H                 -1.88844900   -4.90030000   -1.13187400
 C                 -0.44722800    3.47582400   -0.84035900
 C                 -2.96925800    2.92867100   -2.47841600
 C                 -3.15527300    3.38851200    0.55781300
 H                  0.05768100    3.36898700    0.12241000
 H                  0.20759000    3.05465400   -1.60822600
 H                 -0.57011400    4.54250100   -1.04873100
 H                 -3.95191300    2.45343500   -2.52679000
 H                 -3.10268300    3.99936300   -2.65763400
 H                 -2.36282400    2.52084000   -3.29112800
 H                 -3.19947800    4.47389900    0.42713700
 H                 -4.18113900    3.01504800    0.57039100
 H                 -2.71663500    3.18874400    1.53861200
 Si                -0.01328200   -3.25974900   -0.74747700
 Si                -2.12421700    2.62678300   -0.82410300
 C                 -4.31815300    0.09230500   -0.28080500
 H                 -4.69478100   -0.03069400    0.73990300
 H                 -4.86746100   -0.61025800   -0.91335600
 H                 -4.56623800    1.10020100   -0.60970100
 C                 -3.31478700   -2.64871000    0.02171900
 H                 -3.81444000   -2.93171200   -0.91142300
 H                 -4.09387400   -2.32252400    0.71398700
 H                 -2.84705900   -3.53454900    0.43937100
 C                 -2.31868600   -1.54058300   -0.20533800
 C                 -2.83366700   -0.16096200   -0.34640800
 N                  0.92150200    0.56830800    0.10609000
 C                  2.15481300    0.93793600   -0.62696300
 C                  2.98513200    2.02675700    0.05771800
 C                  3.05912000   -0.24727700   -0.99104200
 H                  1.81416600    1.36542000   -1.57863800
 C                  4.11329200    2.49126500   -0.86915700
 H                  3.43241600    1.63511700    0.97933000
 H                  2.34481900    2.86965700    0.33156100
 C                  4.19597100    0.19894100   -1.91452100
 H                  3.48192200   -0.68246000   -0.07836000
 H                  2.45706700   -1.02169200   -1.47516400
 C                  5.01355900    1.32239300   -1.27453400
 H                  4.70042100    3.26965300   -0.37492000
 H                  3.67826100    2.94430000   -1.76799500
 H                  4.83855100   -0.65065900   -2.15950600
 H                  3.76890600    0.55629000   -2.85949800
 H                  5.79476000    1.66394700   -1.95875000
 H                  5.51912700    0.93443600   -0.38175300
 C                  0.92251300    0.58514100    1.58073600
 C                 -0.45143800    0.90232000    2.17488200
 C                  1.46705600   -0.70311600    2.20731300
 H                  1.57788000    1.40749500    1.88643100
 C                 -0.37146100    1.02655400    3.69877100
 H                 -1.15768200    0.10713200    1.91355300
 H                 -0.83015200    1.82937600    1.73972000
 C                  1.54006600   -0.60201200    3.73318000
 H                  0.80092800   -1.52372600    1.92007800
 H                  2.45542700   -0.92871500    1.79995100
 C                  0.17601200   -0.25411200    4.32920000
 H                 -1.36113400    1.25843400    4.10168500
 H                  0.28299200    1.86657800    3.96327500
 H                  1.91519400   -1.53980000    4.15200600
 H                  2.26140600    0.17761800    4.00952500
 H                  0.24802400   -0.14638500    5.41488400
 H                 -0.52227500   -1.07668000    4.13308800

55
aminophosphole 22a HF=-1643.27125
 C                  1.49594500    0.75945500    0.11370800
 C                  1.07899800    1.93325800   -0.42658400
 C                 -0.39114300    2.13681100   -0.41804500
 C                 -1.10078500    1.12551500    0.14283900
 C                  1.96525000    3.00471200   -1.00469700
 H                  1.73771400    3.97950500   -0.56386200
 H                  3.01998400    2.79671500   -0.83257500
 H                  1.81038500    3.09784600   -2.08424400
 C                 -0.96447500    3.40708000   -0.98601000
 H                 -2.05005900    3.36313000   -1.05913900
 H                 -0.70442800    4.26523100   -0.35757600
 H                 -0.56408600    3.60740300   -1.98335900
 Si                -2.95880800    0.99241800    0.35006500
 Si                 3.25589400    0.14293900    0.27128700
 C                 -3.35829200   -0.58841900    1.27994700
 H                 -4.43200700   -0.65832700    1.47477100
 H                 -3.05361900   -1.45816300    0.69498900
 H                 -2.83493600   -0.63163500    2.23915400
 C                 -3.77264100    0.91424000   -1.34634800
 H                 -4.85321300    0.77541400   -1.24971600
 H                 -3.60265000    1.82037100   -1.93230500
 H                 -3.37381900    0.07086800   -1.91655200
 C                 -3.63671800    2.45250800    1.32687100
 H                 -3.45665400    3.40861400    0.83072700
 H                 -4.71599100    2.34683400    1.47055700
 H                 -3.16897300    2.49581200    2.31382800
 C                  3.22194300   -1.60987200    0.94583800
 H                  2.78859300   -2.29720000    0.21468500
 H                  4.23679600   -1.95320500    1.16474400
 H                  2.63637100   -1.67976300    1.86679800
 C                  4.07712700    0.09526500   -1.42269900
 H                  4.19865900    1.08728100   -1.86244400
 H                  5.06811100   -0.36226400   -1.35137200
 H                  3.47911500   -0.50474400   -2.11401000
 C                  4.24707000    1.22639400    1.44848800
 H                  5.27081300    0.85427800    1.54735400
 H                  4.29736800    2.26398000    1.11053800
 H                  3.78853800    1.22243400    2.44064300
 P                  0.06339100   -0.03077300    0.92136000
 C                 -0.06380500   -1.70759400   -1.24930100
 C                 -0.12287200   -2.77437100    0.96041700
 C                 -1.06095200   -2.72666700   -1.79681500
 H                  0.96380000   -2.04456200   -1.47213600
 H                 -0.20067200   -0.73467800   -1.72836400
 C                 -1.11471300   -3.82387600    0.45937200
 H                  0.89251300   -3.19342800    0.88454700
 H                 -0.30442700   -2.54100300    2.01189400
 C                 -0.94146000   -4.05171300   -1.04308000
 H                 -0.88852500   -2.87083300   -2.86703200
 H                 -2.07327900   -2.32507800   -1.67446600
 H                 -0.96027800   -4.75569000    1.01056500
 H                 -2.13463000   -3.48553000    0.66541000
 H                 -1.67655400   -4.77218800   -1.41002000
 H                  0.05037100   -4.48229800   -1.23003600
 N                 -0.23589400   -1.53927000    0.18932500

67
aminophosphole 23a HF=-1800.47812
 C                  1.58258200   -0.85129400   -0.05141200
 C                  1.28940800   -2.16006200    0.23234700
 C                 -0.12780500   -2.52942100    0.14782500
 C                 -0.96968900   -1.50607100   -0.17885100
 C                  2.29014600   -3.23920100    0.56294400
 H                  2.43229700   -3.91571300   -0.28671400
 H                  3.26337400   -2.83775800    0.83478500
 H                  1.93513500   -3.84518000    1.40003000
 C                 -0.52959400   -3.96392800    0.38655400
 H                 -1.54596000   -4.16328700    0.05338200
 H                  0.13243700   -4.64733700   -0.15143800
 H                 -0.46484700   -4.22254900    1.44867900
 Si                -2.84252300   -1.65211800   -0.23934300
 Si                 3.36631600   -0.27360700   -0.24665500
 C                 -3.70051600    0.02091000   -0.34701500
 H                 -4.69042200   -0.06017200    0.11154800
 H                 -3.13886000    0.79511600    0.17857500
 H                 -3.84576500    0.34600000   -1.37892200
 C                 -3.44880800   -2.44195000    1.36351900
 H                 -4.53928000   -2.52832100    1.33433700
 H                 -3.03996900   -3.43644900    1.54559000
 H                 -3.19036700   -1.81489100    2.22116400
 C                 -3.38819000   -2.68192100   -1.71801900
 H                 -2.99119500   -3.69893900   -1.69379500
 H                 -4.47957400   -2.74564300   -1.75766900
 H                 -3.04359600   -2.21354800   -2.64390300
 C                  3.55076700    1.45246200   -0.96265500
 H                  3.03990300    2.22243900   -0.38420000
 H                  4.61907300    1.69180700   -0.96809000
 H                  3.20132300    1.50036300   -1.99634000
 C                  4.23337000   -0.26146600    1.42979400
 H                  4.09910000   -1.18559200    1.99452700
 H                  5.30717400   -0.10825400    1.28557000
 H                  3.86432400    0.55861900    2.05093200
 C                  4.28610400   -1.40196800   -1.44592200
 H                  5.28004000   -0.99177500   -1.64865600
 H                  4.41377300   -2.42222400   -1.08235200
 H                  3.74543800   -1.45047800   -2.39524400
 P                  0.05801100   -0.12969700   -0.72526400
 C                 -0.35185600    1.65247100    1.40863300
 C                 -0.70331200    2.47985100   -1.03515500
 C                 -1.38530300    2.70852000    1.84083600
 C                 -1.73897300    3.46647200   -0.46858600
 C                 -1.42129100    3.93198500    0.94199900
 H                 -1.16499300    2.98378400    2.87650400
 H                 -2.37860900    2.24486000    1.83805700
 H                 -1.79961800    4.31384000   -1.15739300
 H                 -2.72138300    2.98040800   -0.46936200
 H                 -2.18413700    4.63318000    1.29005700
 H                 -0.46749900    4.46827000    0.97053300
 N                 -0.47264300    1.35545700   -0.05843700
 C                 -1.28923100    1.94809100   -2.35272900
 H                 -2.12704000    1.27685800   -2.16514900
 H                 -1.65102400    2.79771700   -2.93786800
 H                 -0.54873600    1.41619100   -2.94914100
 C                  0.58461200    3.22990500   -1.40136800
 H                  1.05052400    3.72872400   -0.55253600
 H                  1.30300400    2.53098200   -1.82811200
 H                  0.36496600    3.99019000   -2.15653400
 C                  1.06101300    2.12505900    1.78583700
 H                  1.13871000    2.23079000    2.87164700
 H                  1.79343000    1.38301100    1.46847900
 H                  1.31969000    3.08441800    1.33872100
 C                 -0.65401800    0.39589800    2.23214100
 H                 -1.64227300    0.00319100    1.98857900
 H                  0.08726900   -0.38979800    2.07868500
 H                 -0.64710500    0.66850300    3.29070900

78
aminophosphole 20b HF=-1919.58035
 N                 -0.03610000    2.18461000   -0.01556300
 C                 -1.44122600   -2.02583000    2.40913000
 H                 -1.14981700   -3.06506300    2.23101900
 H                 -2.52153100   -1.96490700    2.32927100
 H                 -1.16460800   -1.79010000    3.44093500
 C                  1.44599800   -2.02433800    2.40704400
 H                  1.17057800   -1.78878200    3.43927400
 H                  2.52618800   -1.96834600    2.32742900
 H                  1.14958000   -3.06188200    2.22767500
 C                 -0.74103400   -1.09433300    1.45370700
 C                  0.74666700   -1.08907300    1.45447800
 C                 -1.32329400   -0.26060500    0.55606400
 C                  1.32728300   -0.24730200    0.56150600
 C                  4.26713000   -0.35631400    1.67270100
 C                  3.50596200   -1.77874800   -0.99648000
 C                  3.74203000    1.26174900   -0.78544600
 H                  3.79248800    0.12661700    2.53084800
 H                  4.53024800   -1.37629800    1.96259300
 H                  5.20172800    0.17301200    1.46765300
 H                  4.81305000    1.15534000   -0.98132100
 H                  3.23837000    1.41345200   -1.73892400
 H                  3.61136200    2.16076300   -0.18029000
 C                 -3.52270400   -1.77252600   -0.99128800
 C                 -4.26127800   -0.32426300    1.66937700
 C                 -3.69446200    1.27551700   -0.80257100
 H                 -3.78160300    0.16409900    2.52165200
 H                 -5.19255300    0.20942400    1.46049800
 H                 -4.53063500   -1.33940000    1.97035200
 H                 -4.76957500    1.20877700   -0.99295600
 H                 -3.52199900    2.17647300   -0.21076200
 H                 -3.18812000    1.39359100   -1.75988200
 Si                -3.16030400   -0.26428700    0.12898500
 Si                 3.16553700   -0.27155500    0.13309100
 C                 -0.00559900    3.28070100   -1.00320000
 C                 -1.21227200    3.28347900   -1.93643400
 C                  1.28380700    3.32897500   -1.81668300
 H                 -0.05213100    4.20100600   -0.41468100
 H                 -2.13884700    3.39716300   -1.37658600
 H                 -1.13397200    4.10739700   -2.65023200
 H                 -1.25550600    2.34891000   -2.50339700
 H                  2.15272700    3.42456000   -1.16767000
 H                  1.38662400    2.41701400   -2.41184900
 H                  1.26677400    4.17934100   -2.50324600
 C                 -0.01661200    2.55261600    1.40741800
 C                 -1.28329000    3.30671300    1.81470900
 C                  1.26088000    3.30332700    1.78704300
 H                 -0.01203400    1.61071400    1.96200900
 H                 -2.16182700    2.69122100    1.60791600
 H                 -1.26602500    3.53570700    2.88335400
 H                 -1.38735000    4.25165400    1.27414400
 H                  2.13430800    2.69224600    1.54685900
 H                  1.34715100    4.25565200    1.25623100
 H                  1.27428900    3.51793800    2.85863800
 P                 -0.00244000    0.53663800   -0.45539100
 C                 -5.02589900   -1.81233500   -1.30598300
 H                 -5.35077400   -0.92303100   -1.85298500
 H                 -5.25476800   -2.68335700   -1.93176500
 H                 -5.63034100   -1.89227900   -0.39678700
 C                 -2.73384900   -1.64573100   -2.30234700
 H                 -3.00241000   -0.74013100   -2.85390700
 H                 -1.65488800   -1.62108700   -2.12278500
 H                 -2.94699900   -2.50325800   -2.95220600
 C                 -3.12457600   -3.08639300   -0.30782200
 H                 -2.05240300   -3.11584200   -0.09439700
 H                 -3.66683900   -3.24419800    0.62976400
 H                 -3.35663500   -3.93259400   -0.96581600
 C                  2.72623700   -1.62804600   -2.31051000
 H                  1.64686900   -1.58773200   -2.13663600
 H                  3.01222800   -0.72204400   -2.85269200
 H                  2.92933100   -2.48318400   -2.96672100
 C                  5.00962100   -1.84485400   -1.30494900
 H                  5.22482900   -2.71818000   -1.93234200
 H                  5.35314100   -0.96049300   -1.84838100
 H                  5.60895600   -1.93856600   -0.39369500
 C                  3.08115900   -3.09043700   -0.32496500
 H                  2.00795600   -3.10203300   -0.11509500
 H                  3.29983600   -3.93526500   -0.98925500
 H                  3.61754100   -3.26576300    0.61289100

92
aminophosphole 21b HF=-2153.01485
 N                  0.00001500    1.54082500   -0.00066200
 C                 -1.44356700   -2.71865800    2.30023300
 H                 -1.14986700   -3.75358400    2.10209800
 H                 -2.52383700   -2.65844300    2.22217700
 H                 -1.16711500   -2.50224100    3.33641400
 C                  1.44339400   -2.71874500    2.30022900
 H                  1.16690200   -2.50236200    3.33640600
 H                  2.52366800   -2.65854600    2.22221900
 H                  1.14968300   -3.75365700    2.10204000
 C                 -0.74413500   -1.76723500    1.36392600
 C                  0.74401900   -1.76727400    1.36392700
 C                 -1.32541800   -0.91164000    0.48596800
 C                  1.32535000   -0.91170800    0.48597200
 C                  4.26403900   -1.01868600    1.59694000
 C                  3.51209600   -2.40860600   -1.09283700
 C                  3.72369800    0.63104400   -0.84039000
 H                  3.78627000   -0.54551700    2.45905100
 H                  4.52877000   -2.04105000    1.87683800
 H                  5.19764400   -0.48487700    1.39890500
 H                  4.79017400    0.52980800   -1.06209100
 H                  3.19733800    0.80339500   -1.77842700
 H                  3.60476800    1.51542700   -0.21147900
 C                 -3.51225500   -2.40840300   -1.09284200
 C                 -4.26410700   -1.01842900    1.59693700
 C                 -3.72365100    0.63126500   -0.84039800
 H                 -3.78629100   -0.54531300    2.45905100
 H                 -5.19766700   -0.48453800    1.39891600
 H                 -4.52892300   -2.04077500    1.87682300
 H                 -4.79013600    0.53011400   -1.06209400
 H                 -3.60464600    1.51563900   -0.21148900
 H                 -3.19728000    0.80357200   -1.77843800
 Si                -3.16315700   -0.91940900    0.05797500
 Si                 3.16309100   -0.91959100    0.05798100
 P                 -0.00001400   -0.09023900   -0.50622300
 C                 -5.01695400   -2.46663400   -1.39749200
 H                 -5.36132100   -1.57210600   -1.92344400
 H                 -5.23558200   -3.32810300   -2.03995800
 H                 -5.61316300   -2.57618600   -0.48597600
 C                 -2.73599100   -2.23765600   -2.40654700
 H                 -3.02420900   -1.32383400   -2.93417300
 H                 -1.65614800   -2.19892100   -2.23460900
 H                 -2.93976900   -3.08316300   -3.07492900
 C                 -3.08856400   -3.73177900   -0.44404800
 H                 -2.01480200   -3.74936300   -0.23765700
 H                 -3.62259000   -3.92077700    0.49251200
 H                 -3.31146900   -4.56525200   -1.12117800
 C                  2.73587500   -2.23778900   -2.40655800
 H                  1.65603200   -2.19895500   -2.23464300
 H                  3.02418800   -1.32399400   -2.93417800
 H                  2.93959000   -3.08331500   -3.07493500
 C                  5.01679700   -2.46695900   -1.39745400
 H                  5.23536700   -3.32843400   -2.03993100
 H                  5.36125300   -1.57245000   -1.92338200
 H                  5.61297500   -2.57657800   -0.48592600
 C                  3.08828400   -3.73195100   -0.44405800
 H                  2.01451400   -3.74945400   -0.23770400
 H                  3.31114800   -4.56544000   -1.12118200
 H                  3.62226300   -3.92099000    0.49251900
 C                  0.00003800    1.84040600    1.43472500
 C                  1.26941100    2.57331600    1.88273300
 C                 -1.26927000    2.57341400    1.88275800
 H                  0.00000500    0.87450600    1.95184700
 C                  1.26035300    2.81473100    3.39460100
 H                  1.35149400    3.53637300    1.36354900
 H                  2.13627000    1.97151200    1.59141100
 C                 -1.26016200    2.81482400    3.39462700
 H                 -1.35128600    3.53648000    1.36358200
 H                 -2.13618200    1.97168100    1.59145100
 C                  0.00012800    3.56796900    3.82582100
 H                  2.15669000    3.36413300    3.69444900
 H                  1.29361600    1.84742100    3.91138600
 H                 -2.15645200    3.36429100    3.69449500
 H                 -1.29348600    1.84751500    3.91141100
 H                  0.00014500    3.71991500    4.90853300
 H                  0.00015900    4.56337500    3.36450300
 C                  0.00006600    2.67800500   -0.93786800
 C                  1.25605600    2.74579900   -1.80722100
 C                 -1.25586800    2.74585600   -1.80729700
 H                  0.00006700    3.57775800   -0.31169800
 C                  1.25324100    3.96615900   -2.73099700
 H                  1.30982700    1.83006500   -2.40981500
 H                  2.13308700    2.76429700   -1.15979800
 C                 -1.25293700    3.96621400   -2.73107500
 H                 -1.30965100    1.83012300   -2.40989100
 H                 -2.13293900    2.76440400   -1.15992900
 C                  0.00018000    3.99914000   -3.60487300
 H                  2.15542600    3.96592100   -3.34859100
 H                  1.28851600    4.87866700   -2.12220800
 H                 -2.15508300    3.96601800   -3.34872600
 H                 -1.28821000    4.87872500   -2.12228900
 H                  0.00022000    4.88774300   -4.24185400
 H                  0.00018100    3.12719900   -4.27004100

73
aminophosphole 22b HF=-1879.09013
 C                  1.38863000   -0.32779200    0.52711400
 C                  0.86858100   -1.20398500    1.42234100
 C                 -0.61775100   -1.29221200    1.42522300
 C                 -1.23976800   -0.48171300    0.53354400
 C                  1.64800300   -2.07365900    2.37167700
 H                  1.46468400   -3.13431200    2.17220500
 H                  2.71818300   -1.89734300    2.29494600
 H                  1.34456200   -1.88638900    3.40571700
 C                 -1.28740200   -2.25085000    2.37241900
 H                 -2.37106900   -2.19329500    2.30379600
 H                 -0.98913600   -3.28286800    2.16168700
 H                 -0.99889100   -2.03977800    3.40603100
 Si                -3.06413400   -0.35370100    0.10619600
 Si                 3.18511100    0.02964200    0.12435400
 C                 -3.34561200    1.25370800   -0.82998800
 H                 -4.35940900    1.28855600   -1.23894400
 H                 -3.22084800    2.10632200   -0.15918100
 H                 -2.63702400    1.37738600   -1.65310400
 C                 -4.15786200   -0.32205000    1.64533100
 H                 -5.10424400    0.17186800    1.40714800
 H                 -4.39665200   -1.31877200    2.02380600
 H                 -3.68015000    0.24059900    2.45163100
 C                 -3.57413100   -1.81576000   -1.01194100
 C                  3.24742000    1.66165200   -0.80971900
 H                  2.91928400    2.48360800   -0.16777000
 H                  4.26687400    1.88287100   -1.13741600
 H                  2.60339900    1.64793700   -1.69280200
 C                  4.24062600    0.21309400    1.67915800
 H                  4.60726700   -0.74162700    2.06351400
 H                  5.11395800    0.83260000    1.45646400
 H                  3.67600700    0.70383600    2.47620200
 C                  3.90348100   -1.34597600   -0.98700000
 P                  0.02544400    0.31925700   -0.51036200
 C                  0.05608200    2.49530600    1.17241700
 C                  0.03898400    2.98265200   -1.23002500
 C                 -0.88767000    3.66474900    1.44629600
 H                  1.09902400    2.82844700    1.31187600
 H                 -0.12386600    1.68118400    1.87843800
 C                 -0.91413800    4.15865500   -1.01740300
 H                  1.07027900    3.36960700   -1.23918600
 H                 -0.14134700    2.50426400   -2.19561900
 C                 -0.72494500    4.74995800    0.38087700
 H                 -0.68908500    4.06835200    2.44323500
 H                 -1.91759300    3.29192400    1.44070600
 H                 -0.72742400    4.91689200   -1.78315500
 H                 -1.94482600    3.81234800   -1.13686800
 H                 -1.43025400    5.56691300    0.55212000
 H                  0.28332700    5.17651300    0.45632000
 N                 -0.12780200    1.98329700   -0.18042800
 C                  5.39955200   -1.08317200   -1.21366700
 H                  5.82249300   -1.85702000   -1.86560300
 H                  5.57535600   -0.11734400   -1.69661100
 H                  5.96102900   -1.10011400   -0.27455300
 C                  3.73185100   -2.72081300   -0.32865900
 H                  4.24904600   -2.78172800    0.63427800
 H                  2.67608200   -2.95623100   -0.16597200
 H                  4.15332500   -3.50020600   -0.97500500
 C                  3.17759100   -1.35009200   -2.33940200
 H                  2.10262200   -1.51539900   -2.22012000
 H                  3.31465000   -0.40625400   -2.87486900
 H                  3.57264400   -2.15176900   -2.97517800
 C                 -2.85634400   -1.70489600   -2.36405200
 H                 -1.76876900   -1.71830400   -2.24580500
 H                 -3.13528500   -2.54776800   -3.00814300
 H                 -3.12499400   -0.78382800   -2.88956300
 C                 -5.09266900   -1.77280500   -1.23801100
 H                 -5.39774600   -2.59526300   -1.89624700
 H                 -5.64535600   -1.87911100   -0.29958600
 H                 -5.40873800   -0.83970600   -1.71370900
 C                 -3.20535600   -3.15516700   -0.36189000
 H                 -2.12645900   -3.23773600   -0.20201700
 H                 -3.70614600   -3.29440200    0.60163400
 H                 -3.51242400   -3.98356000   -1.01183000

62
phosphonium-BCH-germylene [25a]+ HF=-3761.15799
 Ge                -0.01296500   -2.36516900   -0.69873500
 N                  0.15283300    1.97825200   -0.05051200
 C                 -1.53529500   -2.02408500    2.26088600
 H                 -1.03671400   -2.85879200    2.75089300
 H                 -2.49019300   -2.37551500    1.87093100
 H                 -1.74811100   -1.26286800    3.01845400
 C                  1.58871800   -2.05504100    2.21621600
 H                  1.81834700   -1.30608900    2.98091700
 H                  2.53438800   -2.40246100    1.80169300
 H                  1.09785700   -2.89605900    2.70310300
 C                 -0.69344900   -1.41510100    1.17780700
 C                  0.72740000   -1.42842300    1.15887500
 C                 -1.25726200   -0.70507800    0.02491700
 C                  1.28016400   -0.72076000   -0.00293700
 C                  3.99750900    0.36685300    0.91548000
 C                  3.85499100   -2.21505700   -0.80697000
 C                  3.11624300    0.49616500   -2.03656100
 H                  3.55884500    1.35376000    1.08765000
 H                  3.96396900   -0.18909400    1.85544000
 H                  5.05008100    0.51500800    0.65943800
 H                  3.31445400   -2.73203200   -1.60460500
 H                  4.88873400   -2.09335200   -1.14284600
 H                  3.87748500   -2.87042500    0.06598500
 H                  4.14116100    0.66892900   -2.37440900
 H                  2.58622900   -0.00652300   -2.85060100
 H                  2.65741400    1.47558600   -1.87599200
 C                 -3.79312700   -2.23014100   -0.79380700
 C                 -4.02031400    0.30313700    0.97899100
 C                 -3.14988300    0.52547400   -1.96643100
 H                 -3.28694800   -2.68159800   -1.65163000
 H                 -3.72177100   -2.92738600    0.04390500
 H                 -4.85255900   -2.14342300   -1.05073100
 H                 -3.63678100    1.30860600    1.17011500
 H                 -5.07801300    0.39844200    0.71795200
 H                 -3.96327000   -0.26198100    1.91226100
 H                 -4.18122900    0.61255400   -2.31858300
 H                 -2.78822300    1.54239600   -1.78960800
 H                 -2.56773800    0.08507500   -2.78115400
 Si                -3.09445800   -0.53249000   -0.41849200
 Si                 3.11081300   -0.52968300   -0.46910000
 C                 -0.35180900    3.06184400   -0.93936300
 C                  0.73571600    4.03899500   -1.39171100
 C                 -1.56562200    3.79527000   -0.37142100
 H                 -0.68960900    2.54461800   -1.84399400
 H                  1.63487600    3.50922100   -1.70894000
 H                  0.36177200    4.61152300   -2.24332000
 H                  1.00617100    4.75050600   -0.61323900
 H                 -2.33956100    3.09717200   -0.04512300
 H                 -1.29239200    4.43108900    0.47241200
 H                 -1.98777400    4.44196300   -1.14344300
 C                  0.46604600    2.17525300    1.39306900
 C                 -0.76543400    2.11351800    2.30271900
 C                  1.29832100    3.42530000    1.65697200
 H                  1.10309200    1.32183500    1.65511500
 H                 -1.36656600    1.22447000    2.09637200
 H                 -0.44199900    2.07025400    3.34545400
 H                 -1.40132500    2.99166700    2.18963800
 H                  2.16874100    3.47174000    1.00111400
 H                  0.71316200    4.33765900    1.53292300
 H                  1.64686700    3.39996100    2.69124600
 P                  0.02049800    0.39849300   -0.54472800
 H                 -0.04174400    0.52550000   -1.93487300

20
model phosphonium-BCH-germylene [25(M)]+ HF=-2708.01459
 Ge                -2.05205300   -0.48816500   -0.14075800
 N                  2.35669900   -0.08427500   -0.00273000
 C                 -0.31189200    0.27121000   -1.27352200
 C                 -1.01227200    1.38901400   -0.67609100
 C                  3.43770300   -1.07442100    0.01133800
 H                  4.00162700   -0.99846800    0.94325400
 C                  2.78781900    1.31390000    0.09602700
 H                  1.92618500    1.98315000    0.06085700
 C                 -0.38339100    0.08672600    1.18859200
 C                 -1.05193100    1.28464200    0.72553000
 H                  4.10899000   -0.89802400   -0.83125900
 H                  3.03558500   -2.08434300   -0.07148600
 H                  3.44897600    1.55687200   -0.73816100
 H                  3.31881100    1.47790100    1.03619100
 H                 -0.18886300    0.17743400   -2.34346200
 H                 -0.32217400   -0.16536900    2.23809700
 H                 -1.56958500    1.97714000    1.37469600
 H                 -1.49596500    2.17149600   -1.24417500
 P                  0.76204700   -0.45503900   -0.05901200
 H                  0.79856800   -1.84699700   -0.15530300

62
ammonium ion [27a]+ HF=-3761.17013
 Ge                -0.36683600   -2.34449900   -0.58145700
 N                  0.75640300    2.20478100    0.05930200
 C                 -1.66926600   -1.49312100    2.42608400
 H                 -1.45764800   -2.50773800    2.76504000
 H                 -2.73326000   -1.41746800    2.21472500
 H                 -1.44534900   -0.81218900    3.25370600
 C                  1.34648200   -2.00231200    2.28681100
 H                  1.68115700   -1.24135500    2.99995300
 H                  2.23230000   -2.51030200    1.90746200
 H                  0.73920800   -2.72492000    2.83044700
 C                 -0.83260400   -1.10124000    1.23927400
 C                  0.57864600   -1.33116500    1.18373400
 C                 -1.32652300   -0.42478800    0.06243200
 C                  1.17442300   -0.81814500   -0.02255100
 C                  4.01449200   -0.16242200    0.87316300
 C                  3.48142400   -2.73006700   -0.80014000
 C                  3.21231300    0.04275100   -2.08863800
 H                  3.64816900    0.83962700    1.11642400
 H                  3.99719700   -0.75500600    1.79019700
 H                  5.05940300   -0.06284100    0.56697800
 H                  2.92833500   -3.14247200   -1.64856800
 H                  4.54566400   -2.80092000   -1.04099200
 H                  3.30149300   -3.37314100    0.06429400
 H                  4.24688800   -0.02627100   -2.43557500
 H                  2.57140300   -0.33722800   -2.88837500
 H                  2.98864700    1.10572800   -1.95810400
 C                 -3.96484100   -1.91149700   -0.35207000
 C                 -4.00361300    0.94443400    0.85265900
 C                 -3.29884000    0.47176300   -2.11416800
 H                 -3.59302000   -2.51755000   -1.18388600
 H                 -3.80481400   -2.47392600    0.57010300
 H                 -5.04562500   -1.81391300   -0.48897400
 H                 -3.63783800    1.96965400    0.75972800
 H                 -5.07873200    0.96512100    0.65226300
 H                 -3.87018800    0.63268200    1.89104600
 H                 -4.33045400    0.36654700   -2.46201900
 H                 -3.04279400    1.53011400   -2.17491400
 H                 -2.66203100   -0.07739300   -2.81291300
 Si                -3.17609500   -0.20614300   -0.37520800
 Si                 3.01089300   -0.94115100   -0.50719400
 C                  0.29599600    3.45730600   -0.60759000
 C                 -1.12515000    3.30092600   -1.14048300
 C                  1.26036000    3.80289300   -1.73586900
 H                  0.31168100    4.26875100    0.12630000
 H                 -1.79554200    2.88009900   -0.38824900
 H                 -1.52127800    4.27169700   -1.44459100
 H                 -1.12744400    2.64828400   -2.01652300
 H                  2.26848300    3.98937800   -1.35573500
 H                  1.30098900    2.98442500   -2.46183100
 H                  0.92753800    4.69854400   -2.26220200
 C                  0.71716400    2.19940600    1.54768400
 C                 -0.69220000    2.43612300    2.07678500
 C                  1.71668100    3.18580100    2.15437700
 H                  1.02932800    1.18796000    1.83185100
 H                 -1.40176100    1.71432600    1.66914200
 H                 -0.69110800    2.34009100    3.16421300
 H                 -1.04403200    3.44352500    1.83973100
 H                  2.72456100    3.02436700    1.76286700
 H                  1.43531400    4.22240700    1.95735700
 H                  1.75482600    3.05756200    3.23797500
 P                  0.02011200    0.18905400   -0.95052500
 H                  1.73576800    2.07069600   -0.19429900

62
germylium ion [29a]+ HF=-3761.10801
 P                  0.04359400    0.40155400   -0.88992400
 N                  0.16004500    1.89045900   -0.09373600
 C                 -1.53224300   -1.66056000    2.40058500
 H                 -1.06296400   -2.51947000    2.88038300
 H                 -2.54998900   -1.92420500    2.11773400
 H                 -1.59093800   -0.85562700    3.14292900
 C                  1.48107400   -1.73742400    2.39893300
 H                  1.23482800   -1.13904800    3.28232200
 H                  2.55551400   -1.68584500    2.24170700
 H                  1.20850900   -2.77054400    2.62288000
 C                 -0.74374200   -1.15947400    1.22765600
 C                  0.72036400   -1.19282500    1.22445200
 C                 -1.28269400   -0.65074200    0.02754600
 C                  1.28253200   -0.71566700    0.01999400
 C                  3.91031000    0.61292900    0.74506000
 C                  3.88959600   -2.33248500   -0.30510100
 C                  3.22037200   -0.00485200   -2.19362700
 H                  3.44844300    1.59390000    0.60606000
 H                  3.80306100    0.33238600    1.79544700
 H                  4.97845700    0.71839900    0.53762700
 H                  3.40990200   -3.02178000   -1.00620100
 H                  4.94777900   -2.28625800   -0.57740800
 H                  3.83204500   -2.76926100    0.69371000
 H                  4.26063600    0.04611600   -2.52574700
 H                  2.68445600   -0.66748600   -2.87805900
 H                  2.79083100    0.99524200   -2.29269300
 C                 -3.80308600   -2.25801700   -0.61983400
 C                 -4.06509300    0.46356800    0.83975300
 C                 -3.17105500    0.36892700   -2.10248300
 H                 -3.31195000   -2.79030300   -1.43977400
 H                 -3.68880600   -2.85335400    0.28944100
 H                 -4.87106400   -2.22579300   -0.85215200
 H                 -3.75435900    1.51072400    0.85242500
 H                 -5.13126200    0.44172600    0.59597300
 H                 -3.95243700    0.06434500    1.85023500
 H                 -4.19975600    0.44226200   -2.46517900
 H                 -2.77731100    1.38647000   -2.02285600
 H                 -2.58563800   -0.15851000   -2.85979000
 Si                -3.13027300   -0.51436800   -0.45671600
 Si                 3.13816000   -0.62008400   -0.43250700
 C                 -0.14001000    3.04572200   -0.99104400
 C                  1.07503600    3.92674300   -1.29644400
 C                 -1.34624200    3.86869200   -0.54108200
 H                 -0.41896700    2.58170000   -1.94212600
 H                  1.95611700    3.31237400   -1.49369800
 H                  0.86769400    4.51845100   -2.19092200
 H                  1.30708600    4.62300900   -0.49199900
 H                 -2.20927100    3.22820100   -0.34353400
 H                 -1.13565000    4.45451900    0.35499400
 H                 -1.61526900    4.57178000   -1.33226700
 C                  0.33720200    2.05974900    1.36399500
 C                 -0.98108700    2.06154200    2.15047300
 C                  1.18059400    3.27436500    1.75327700
 H                  0.91228100    1.18731400    1.68727200
 H                 -1.64138000    1.25397900    1.83457600
 H                 -0.77285500    1.94092400    3.21737600
 H                 -1.51902500    3.00209400    2.02624700
 H                  2.12768900    3.30261500    1.21548200
 H                  0.65267700    4.21254100    1.58022700
 H                  1.39659500    3.21584500    2.82219400
 Ge                -0.04989000   -2.28098100   -0.68790200
 H                 -0.06484400   -3.47339200    0.32151900

62
carbenium ion [28a]+ HF=-3761.12028
 Ge                 0.88234100   -1.13216100   -1.84981000
 N                 -0.48656600    1.82147100    0.17252100
 C                 -1.39856800   -3.08022700    1.57470400
 H                 -0.81615800   -4.00065300    1.49561000
 H                 -2.39313000   -3.25635700    1.17237200
 H                 -1.50664500   -2.85717800    2.64114200
 C                  1.05547300   -1.46325800    2.62423200
 H                  0.55921300   -0.52520300    2.88983000
 H                  2.12302300   -1.35149800    2.81922800
 H                  0.68308600   -2.25061000    3.28168900
 C                 -0.69656400   -1.93802700    0.90089600
 C                  0.79973500   -1.80151500    1.14653300
 C                 -1.30730500   -0.97144500    0.16846100
 C                  1.31307000   -0.74496200    0.16591300
 C                  3.61889600    1.01649500    1.43775200
 C                  4.06754400   -1.90716000    0.57253500
 C                  3.67539000    0.22163100   -1.54685800
 H                  3.16492700    1.98439000    1.21719100
 H                  3.33389500    0.73399000    2.45397100
 H                  4.70469400    1.15162000    1.42806900
 H                  3.80017400   -2.69210900   -0.14100500
 H                  5.14656200   -1.74904300    0.49213600
 H                  3.86829800   -2.28387500    1.57803800
 H                  4.69837700    0.60864400   -1.49947400
 H                  3.71430500   -0.62259400   -2.24476800
 H                  3.07352500    1.01782200   -1.99174300
 C                 -3.61497200   -2.45476600   -1.23736200
 C                 -4.14621900   -0.68370700    1.27407500
 C                 -3.40486300    0.56021000   -1.44834500
 H                 -2.97077900   -2.58234000   -2.11178600
 H                 -3.56505100   -3.36995000   -0.64632900
 H                 -4.64159700   -2.35963000   -1.60270800
 H                 -3.85834000    0.23214400    1.79766600
 H                 -5.21292500   -0.61248700    1.04543200
 H                 -4.01074700   -1.52039200    1.96305500
 H                 -4.44374200    0.58332100   -1.78846100
 H                 -3.19083200    1.51119500   -0.96050600
 H                 -2.77223600    0.48491900   -2.33783900
 Si                -3.15559600   -0.89541200   -0.30120400
 Si                 3.16529100   -0.30824900    0.19476800
 C                 -0.15218500    3.03751100   -0.61846500
 C                 -1.23920100    3.37057800   -1.63344000
 C                  1.21356300    2.95000200   -1.29016200
 H                 -0.10052400    3.84304400    0.11666200
 H                 -2.20304400    3.52781300   -1.14850800
 H                 -0.97661300    4.28118000   -2.17622200
 H                 -1.34373600    2.55981500   -2.35938800
 H                  1.98591400    2.64343400   -0.58129700
 H                  1.19046400    2.24753700   -2.12814800
 H                  1.48929300    3.92529300   -1.69501200
 C                 -0.89662700    2.00736700    1.59405300
 C                 -2.10871400    2.92864900    1.69806800
 C                  0.27275700    2.47785100    2.45443600
 H                 -1.20834300    1.01825700    1.94718500
 H                 -2.93733700    2.55830900    1.09180700
 H                 -2.43853400    2.97627800    2.73773100
 H                 -1.87441500    3.94776200    1.38250100
 H                  1.10794400    1.77811200    2.38576100
 H                  0.62466300    3.46550400    2.14540500
 H                 -0.03298600    2.54990700    3.50039100
 P                 -0.08807200    0.28972000   -0.30925800
 H                  1.27847700   -2.76341400    0.92342200

19
model phospha-BCH-germylene 15(M) HF=-2707.63815
 Ge                -2.02605900   -0.50811100   -0.02031700
 N                  2.20641800    0.45958400   -0.30365300
 C                 -0.45090800    0.30634100   -1.26682800
 C                 -1.11353600    1.40414900   -0.59481500
 C                  3.48385100   -0.14816800    0.03628100
 H                  3.75467500    0.01209500    1.08946100
 C                  2.16718100    1.89235000   -0.07233500
 H                  1.32055600    2.33663400   -0.59614000
 C                 -0.29206600    0.05356100    1.13735000
 C                 -1.01335500    1.26167000    0.80430500
 H                  4.27931300    0.27545400   -0.58541300
 H                  3.44076000   -1.22276700   -0.14728000
 H                  3.08259000    2.35141700   -0.45786300
 H                  2.08377500    2.14115100    0.99613400
 H                 -0.46880500    0.23619400   -2.34664100
 H                 -0.17127300   -0.23943700    2.17257500
 H                 -1.49401500    1.92203300    1.51411200
 H                 -1.68223000    2.18275100   -1.08597700
 P                  0.80333700   -0.53176900   -0.23018600

21
model phospha-BCH-germylene 15-H-A HF=-2708.81591
 Ge                -1.62160600   -1.18254700   -0.07008100
 N                  2.21203000    0.50438500   -0.35140200
 C                 -0.59621500    0.17667200   -1.26787100
 C                 -1.18754300    1.48797600   -0.71548100
 C                  3.45362500   -0.15464700    0.03549900
 H                  3.64332800   -0.08834700    1.11642000
 C                  2.20033900    1.91972400   -0.01177600
 H                  1.33942100    2.40909500   -0.46424000
 C                 -0.39900200    0.01741100    1.09982500
 C                 -1.00796500    1.40745700    0.83081900
 H                  4.29185100    0.31552100   -0.48703900
 H                  3.41813500   -1.20683700   -0.24674500
 H                  3.10392600    2.39161200   -0.40906200
 H                  2.17634500    2.08711400    1.07490400
 H                 -0.55283600    0.06202200   -2.34651800
 H                 -0.17666600   -0.23783000    2.13183600
 H                 -1.96680900    1.52934900    1.34619300
 H                 -2.24751700    1.58102200   -0.98228200
 P                  0.78257900   -0.43367200   -0.23900800
 H                 -0.35806400    2.20631300    1.19680400
 H                 -0.69691100    2.36879500   -1.13722600

23
model phospha-BCH-germylene 15-H-B HF=-2710.02362
 Ge                -1.94455800   -0.46422600    0.05922900
 N                  2.25727300   -0.20154500   -0.21109800
 C                 -0.51511900    0.12397800   -1.22465800
 C                 -0.47105300    1.62244000   -0.84768300
 C                  3.28930000   -1.20415600    0.04411100
 H                  3.60953400   -1.20822000    1.09586300
 C                  2.72609400    1.13149800    0.13928900
 H                  2.09974400    1.90290200   -0.29846100
 C                 -0.39206800    0.17287600    1.16223600
 C                 -0.40338000    1.65666200    0.71519900
 H                  4.16504000   -0.99480900   -0.57783800
 H                  2.91796600   -2.19705900   -0.20671600
 H                  3.73626000    1.26493500   -0.25876100
 H                  2.77243800    1.28314200    1.22759000
 H                 -0.49409100   -0.11286500   -2.28394900
 H                 -0.27057900   -0.01514900    2.22479800
 H                 -1.26557500    2.18677700    1.12971000
 H                 -1.35531400    2.15251200   -1.21278800
 P                  0.64852700   -0.79052800   -0.07775500
 H                  0.48337200    2.18467900    1.06693000
 H                  0.39154400    2.11174300   -1.30383300
 H                 -2.34250900   -1.94531900    0.11108500
 H                 -3.15342900    0.49091800    0.10408400

18
model sila-BCH-germylene 24 HF=-2601.06524
 Ge                -1.52275500    0.54404500    0.00000000
 C                 -0.85686600   -1.41282400    0.70682800
 C                 -0.85686600   -1.41282400   -0.70682700
 C                 -0.00484100   -0.37608300    1.26243700
 C                 -0.00484100   -0.37608400   -1.26243600
 Si                 1.30564100    0.05086900    0.00000000
 C                  2.86080000   -1.01324400   -0.00000100
 H                  3.47474900   -0.81264300   -0.88307700
 H                  3.47474400   -0.81265200    0.88308100
 H                  2.60321000   -2.07483100   -0.00000700
 C                  1.85805500    1.84354200    0.00000000
 H                  1.01779700    2.53953000    0.00001800
 H                  2.47339700    2.05040100    0.87977500
 H                  2.47336700    2.05041100   -0.87979300
 H                 -0.01413200   -0.23502200    2.33634600
 H                 -1.50623600   -2.05333200    1.28955400
 H                 -1.50623600   -2.05333200   -1.28955300
 H                 -0.01413200   -0.23502300   -2.33634600

20
model sila-BCH-germylene 24-H-A HF=-2602.24714
 Ge                -1.51064600    0.55005400   -0.00000200
 C                 -0.33763000   -1.79993400    0.78558200
 C                 -0.33762500   -1.79993500   -0.78558000
 C                 -0.13768200   -0.32501700    1.23183900
 C                 -0.13767900   -0.32501700   -1.23183700
 Si                 1.17219800    0.24695400    0.00000200
 C                  2.83824100   -0.62226900   -0.00000200
 H                  3.41863700   -0.34679900   -0.88433800
 H                  3.41865700   -0.34677600    0.88431300
 H                  2.71838700   -1.70818400    0.00001300
 C                  1.41816000    2.11542100    0.00000200
 H                  0.47145500    2.66710600    0.00001000
 H                  1.97722100    2.43471000    0.88332700
 H                  1.97720600    2.43470900   -0.88333300
 H                 -0.13625000   -0.16565200    2.30606400
 H                  0.46407200   -2.43779200    1.16993600
 H                  0.46408100   -2.43779100   -1.16992800
 H                 -0.13624400   -0.16565300   -2.30606200
 H                 -1.27100600   -2.22323500   -1.17095700
 H                 -1.27101400   -2.22323200    1.17095500

22
model sila-BCH-germylene 24-H-B HF=-2603.45928
 Ge                 1.47785400   -0.49724100    0.00000000
 C                  0.26957800    1.78165200    0.78827300
 C                  0.26957900    1.78165300   -0.78827200
 C                  0.12533400    0.29951600    1.23898800
 C                  0.12533500    0.29951800   -1.23898800
 Si                -1.20442400   -0.26789700    0.00000000
 C                 -2.80761200    0.71421900    0.00000000
 H                 -3.40542400    0.47074600   -0.88239200
 H                 -3.40542500    0.47074500    0.88239100
 H                 -2.63183600    1.79172400    0.00000100
 C                 -1.61749100   -2.09965000   -0.00000100
 H                 -0.72960700   -2.73352300   -0.00000200
 H                 -2.21212400   -2.35264500    0.88173700
 H                 -2.21212400   -2.35264400   -0.88174000
 H                  0.10801800    0.14182300    2.31280100
 H                 -0.55666500    2.38815800    1.16970400
 H                 -0.55666500    2.38815900   -1.16970200
 H                  0.10801800    0.14182500   -2.31280000
 H                  1.19046400    2.23118900   -1.16935700
 H                  1.19046300    2.23118800    1.16935900
 H                  1.64338500   -2.02871200   -0.00000100
 H                  2.85180100    0.21280400    0.00000100

83
germylene Rh complex 32a HF=-4643.50920
 Ge                -1.58622300    0.24072400   -2.12520300
 N                 -0.80440300   -0.33374400    2.08879300
 C                 -4.26781000    1.15845100   -0.33975400
 H                 -4.94214300    0.64952500   -1.02936600
 H                 -4.26918600    2.21812800   -0.58400100
 H                 -4.68192800    1.06104500    0.67032700
 C                 -3.88140500   -1.79173300   -0.64992700
 H                 -3.58582300   -2.79148200   -0.33449600
 H                 -4.28784000   -1.86095900   -1.66140400
 H                 -4.68078300   -1.45552900    0.01449600
 C                 -2.88998800    0.54883900   -0.37973400
 C                 -2.71467000   -0.84110300   -0.55335500
 C                 -1.60016900    1.25547000   -0.23062400
 C                 -1.29378800   -1.22399300   -0.57107500
 C                 -1.93793900   -3.40014300   -2.60950000
 C                  0.94385500   -2.84920100   -2.02167400
 C                 -0.91949800   -4.27325600    0.10285200
 H                 -2.90857700   -3.76476900   -2.27137700
 H                 -2.10843500   -2.57743600   -3.31171000
 H                 -1.47026300   -4.21041500   -3.17739100
 H                  1.30741500   -1.81876500   -2.06717500
 H                  1.68064900   -3.42556300   -1.46131800
 H                  0.87968000   -3.23770400   -3.04178400
 H                 -0.59361500   -5.23210300   -0.31185500
 H                 -0.30793400   -4.05404300    0.97800500
 H                 -1.96210700   -4.38919000    0.41544000
 C                 -2.34689000    3.65330200   -1.93657400
 C                 -2.88014200    3.75450700    1.11948600
 C                 -0.11140600    4.13250000   -0.05658600
 H                 -1.55593600    3.52559800   -2.68258900
 H                 -3.21294400    3.08581800   -2.28427200
 H                 -2.62100900    4.71258800   -1.92974900
 H                 -3.34356000    2.93203500    1.66847200
 H                 -2.34420500    4.37477700    1.84254900
 H                 -3.68194800    4.36403200    0.69293900
 H                 -0.40626100    5.17627500   -0.21329200
 H                  0.34393700    4.07593400    0.93263100
 H                  0.63772700    3.88873500   -0.81098300
 Si                -1.69907900    3.14328700   -0.23385900
 Si                -0.75135400   -2.93290400   -1.20147800
 C                 -0.20142300    0.44603000    3.18612700
 C                 -0.30706100    1.94903000    2.93336000
 C                  1.24178100    0.06375600    3.52572200
 H                 -0.81342600    0.23147300    4.06635200
 H                 -1.34080800    2.24089100    2.73898000
 H                  0.06338100    2.50849300    3.79600600
 H                  0.30619700    2.22937400    2.07275300
 H                  1.35583100   -1.01318500    3.63772900
 H                  1.92647600    0.38252100    2.73291500
 H                  1.54090000    0.56104200    4.45344100
 C                 -1.72844500   -1.40875900    2.48608000
 C                 -3.06648300   -0.85058700    2.98106200
 C                 -1.10523200   -2.36932200    3.50128800
 H                 -1.92041100   -2.00021900    1.58994500
 H                 -3.51619000   -0.21081100    2.21797300
 H                 -3.76190700   -1.66165500    3.21451100
 H                 -2.93575500   -0.25461400    3.88913300
 H                 -0.15397400   -2.74675900    3.12271700
 H                 -0.93556300   -1.88998500    4.46949500
 H                 -1.78078000   -3.21291200    3.66593500
 P                 -0.41247500   -0.00195900    0.46048800
 Rh                 1.96548900   -0.10702000    0.09280400
 Cl                 1.77905900   -2.33204500    1.12046600
 C                  2.49035000    1.91703700   -0.15656300
 C                  1.99518600    1.40456400   -1.36454400
 C                  3.85933800   -0.69069400   -0.91459900
 C                  4.16022000   -0.30672200    0.37192000
 C                  3.96304700    2.21401500    0.09741300
 C                  2.84225200    0.97638600   -2.54531600
 C                  4.68955000    1.04633300    0.78624600
 C                  4.09140800    0.16654100   -2.14465500
 H                  3.13085300    1.84883100   -3.14562900
 H                  2.21166400    0.35566100   -3.18868100
 H                  4.94269900    0.82719000   -1.97204800
 H                  4.37396000   -0.48345700   -2.97529300
 H                  4.55524000    1.13303300    1.86708600
 H                  5.76967900    1.10280700    0.60240000
 H                  4.03927400    3.10244200    0.72804800
 H                  4.44723600    2.47380900   -0.84602300
 H                  3.67270800   -1.74790700   -1.08094300
 H                  4.20562700   -1.08834800    1.12375100
 H                  1.80494700    2.49428900    0.45080500
 H                  0.97151000    1.66170900   -1.62764800

83
germylene Rh complex 33a HF=-4643.50584
 Ge                 0.32487900   -0.09943900   -0.20750600
 N                 -3.90690800    0.27503800   -0.05081600
 C                 -0.66779100   -1.33114500    2.81948400
 H                  0.00761800   -0.79482700    3.48674600
 H                 -0.24357800   -2.31347500    2.61463900
 H                 -1.61050600   -1.48954900    3.35542000
 C                 -0.40856000    1.75305000    2.52253200
 H                 -1.27236000    2.07559300    3.11459600
 H                  0.05344000    2.65103800    2.11146600
 H                  0.30716900    1.28378600    3.19877400
 C                 -0.94954900   -0.57317600    1.55388000
 C                 -0.86170800    0.82538700    1.42930000
 C                 -1.36424800   -1.20278200    0.28025700
 C                 -1.24172000    1.27466100    0.07736000
 C                 -2.22769800    4.16456900    0.50767900
 C                  0.63947700    3.66629600   -0.51379400
 C                 -1.75938900    3.05856600   -2.31257500
 H                 -3.26623800    3.82689800    0.45863100
 H                 -1.92427500    4.16897400    1.55754200
 H                 -2.19246300    5.19547200    0.14423200
 H                  1.31306800    2.95226400   -0.99930000
 H                  0.70587100    4.61134600   -1.06109800
 H                  1.01489600    3.85150700    0.49604700
 H                 -1.67629300    4.06130000   -2.74062700
 H                 -1.18429100    2.37018800   -2.93712700
 H                 -2.80812600    2.75477100   -2.36075700
 C                  0.45237900   -3.69544500    0.22092200
 C                 -2.50859100   -3.99646100    1.02756700
 C                 -1.69438800   -3.33424200   -1.87407200
 H                  1.13524800   -3.25350700   -0.51224200
 H                  0.85362500   -3.49550900    1.21725700
 H                  0.46785400   -4.77987500    0.07340600
 H                 -3.54219400   -3.71049700    0.81638900
 H                 -2.41733700   -5.07155700    0.84756200
 H                 -2.32316400   -3.82086700    2.09099700
 H                 -1.52729400   -4.38406700   -2.13150200
 H                 -2.72815700   -3.08705900   -2.11928300
 H                 -1.03513500   -2.72709000   -2.50122300
 Si                -1.29618800   -3.05452700   -0.06617100
 Si                -1.14236900    3.04374300   -0.54403000
 C                 -5.08628500   -0.05463000   -0.87917700
 C                 -5.02119400   -1.45245300   -1.49973600
 C                 -5.31781900    1.00660800   -1.95447600
 H                 -5.94602800   -0.04581500   -0.20589900
 H                 -4.77435000   -2.20104900   -0.74207100
 H                 -5.98269100   -1.71486500   -1.94868000
 H                 -4.26237700   -1.48819400   -2.28441700
 H                 -5.40038100    1.99772700   -1.50297500
 H                 -4.47845600    1.01344600   -2.65534800
 H                 -6.23077000    0.79868200   -2.51892300
 C                 -4.14823900    0.46555300    1.38578500
 C                 -4.46131900   -0.85678500    2.09225000
 C                 -5.22457600    1.51769600    1.67147200
 H                 -3.21781000    0.86012000    1.79692900
 H                 -3.65591800   -1.57553800    1.92714800
 H                 -4.58672300   -0.70759800    3.16864400
 H                 -5.38889800   -1.29046700    1.70494100
 H                 -5.03208700    2.42892100    1.10284300
 H                 -6.22950500    1.16540700    1.42823400
 H                 -5.21921000    1.76726900    2.73540800
 P                 -2.35180000    0.02814400   -0.73310400
 Rh                 2.78214900   -0.20723600   -0.35505500
 Cl                 2.22494700   -1.32901400   -2.43350700
 C                  4.92251500   -0.78413900   -0.42616600
 H                  4.86780600   -1.72141900   -0.97230300
 C                  4.74034600    0.37719800   -1.14636300
 H                  4.57435200    0.27869900   -2.21523500
 C                  3.20325800    0.00478700    1.69340100
 H                  2.30372500   -0.26361600    2.24419000
 C                  3.22967000    1.27152900    1.09641800
 H                  2.34265800    1.88758600    1.21662600
 C                  5.02198400    1.77699300   -0.64702200
 H                  6.09641700    1.98972500   -0.71108900
 H                  4.52814400    2.47006700   -1.33183700
 C                  4.50646900    2.04011400    0.78138800
 H                  4.30997000    3.10881500    0.89045000
 H                  5.26940300    1.79705500    1.52387700
 C                  4.41344900   -0.82961000    2.05665300
 H                  4.82824300   -0.50155100    3.01838600
 H                  4.06573500   -1.85602400    2.20225400
 C                  5.50683600   -0.83131700    0.97161200
 H                  6.10598000   -1.73826400    1.07366700
 H                  6.19374200    0.00516500    1.10951800





