137
HSi3B-endo
 Si                 0.01320200    0.05071400   -1.98457100
 C                 -1.05789600   -1.28296000   -2.76578600
 C                 -2.40517600   -1.42028900   -2.41849300
 O                 -2.84142100   -0.63655000   -1.37190600
 C                 -3.95905300   -1.02745700   -0.67455500
 C                 -4.09679300   -0.52649200    0.63239700
 C                 -5.15780200   -1.05016100    1.39452800
 C                 -6.06592900   -1.96786400    0.86832500
 C                 -5.93043600   -2.37689800   -0.45606300
 C                 -4.87925200   -1.90938700   -1.24650400
 C                 -4.72185200   -2.31887300   -2.68480100
 C                 -3.27736700   -2.27291200   -3.09487200
 C                 -2.76720600   -3.04095600   -4.14171400
 C                 -1.42787200   -2.94502300   -4.51008400
 C                 -0.58788700   -2.06420700   -3.82904300
 H                 -5.27852800   -0.70792700    2.41906000
 H                 -6.87696300   -2.35188300    1.48117400
 H                 -6.63952600   -3.08014100   -0.88828200
 H                 -5.30966000   -1.64133000   -3.32441400
 H                 -5.13435600   -3.32144500   -2.84469700
 H                 -3.43377200   -3.72193100   -4.66741400
 H                 -1.04046900   -3.55068200   -5.32522500
 H                  0.45317700   -1.97874800   -4.12951900
 B                 -3.31638100    0.68570000    1.24455400
 C                 -3.00345200    0.64936600    2.77892900
 C                 -3.31008000    1.74117500    3.61434000
 C                 -3.12690400    1.67572500    4.99538300
 C                 -2.59477900    0.52178400    5.57318900
 C                 -2.25933900   -0.56586700    4.76512800
 C                 -2.48132900   -0.50372300    3.39221100
 H                 -3.72713900    2.64562400    3.17810800
 H                 -3.39318300    2.52575200    5.61930300
 H                 -2.43721600    0.47172700    6.64808700
 H                 -1.82976500   -1.46205900    5.20158800
 H                 -2.24062800   -1.36617500    2.77901200
 C                 -3.07476200    1.99216000    0.43534600
 C                 -2.22520900    3.00198900    0.92722000
 C                 -2.09585700    4.23040600    0.28964800
 C                 -2.81595900    4.47848600   -0.87904600
 C                 -3.65423400    3.49290900   -1.40339800
 C                 -3.77667500    2.26847900   -0.75462000
 H                 -1.65696800    2.81817900    1.83201800
 H                 -1.43049200    4.98605600    0.69605200
 H                 -2.71682600    5.43450600   -1.38665600
 H                 -4.20225900    3.67952300   -2.32278800
 H                 -4.44037700    1.51416500   -1.16875000
 C                 -0.61058100    1.67904200   -2.68707000
 C                 -0.05182100    2.89616900   -2.28641800
 O                  0.85481400    2.83098300   -1.25033500
 C                  1.08312700    3.95955200   -0.50034000
 C                  1.60225600    3.76464300    0.79179200
 C                  1.69119200    4.90626900    1.60964900
 C                  1.34605100    6.17609200    1.14880900
 C                  0.90710400    6.32802200   -0.16428300
 C                  0.77435400    5.22382600   -1.00794600
 C                  0.32499800    5.36255200   -2.43633800
 C                 -0.35942300    4.10895000   -2.90260000
 C                 -1.28669600    4.10059000   -3.94483900
 C                 -1.87566200    2.91143800   -4.36657400
 C                 -1.52947400    1.71260700   -3.74336100
 H                  2.06016500    4.78901700    2.62535000
 H                  1.42829600    7.03955600    1.80339600
 H                  0.64922300    7.31397700   -0.54584800
 H                 -0.34024600    6.22650300   -2.54606100
 H                  1.19822500    5.56687400   -3.07615900
 H                 -1.54685800    5.04213800   -4.42453200
 H                 -2.59911300    2.91753300   -5.17772200
 H                 -1.97912200    0.78354800   -4.08419900
 B                  2.26666500    2.45339700    1.33200300
 C                  2.08074700    2.11645200    2.84989500
 C                  3.18093800    1.80308800    3.67145300
 C                  3.03128200    1.60337200    5.04358200
 C                  1.76345700    1.67500200    5.62332100
 C                  0.65249500    1.95766600    4.82706300
 C                  0.81869500    2.19490400    3.46523100
 H                  4.17433500    1.74505500    3.23307500
 H                  3.90128400    1.38567900    5.65878000
 H                  1.64033500    1.50503400    6.69043200
 H                 -0.34013900    1.99892600    5.26439200
 H                 -0.04916500    2.43981600    2.86138400
 C                  3.27784300    1.63881800    0.47551100
 C                  3.85899700    2.16961500   -0.69320300
 C                  4.86112800    1.49145300   -1.37936000
 C                  5.30853900    0.25351400   -0.91417300
 C                  4.74181600   -0.30644300    0.23086600
 C                  3.73782000    0.37898300    0.90489600
 H                  3.52944400    3.13851000   -1.05877100
 H                  5.29011200    1.91975700   -2.28100900
 H                  6.09054800   -0.27846700   -1.44981600
 H                  5.07448300   -1.27509200    0.59121100
 H                  3.30003800   -0.06833500    1.79020300
 C                  1.73038400   -0.18705500   -2.71279400
 C                  2.51759600   -1.28848200   -2.36351900
 O                  2.02434000   -2.08498700   -1.35303200
 C                  2.89823100   -2.87642200   -0.64737400
 C                  2.48474000   -3.28733700    0.63248200
 C                  3.43915000   -3.96847100    1.41045600
 C                  4.70751100   -4.27909200    0.92199800
 C                  5.04392300   -3.91462800   -0.37936600
 C                  4.14361400   -3.21303000   -1.18307500
 C                  4.47513300   -2.82633600   -2.59788200
 C                  3.71763600   -1.59450500   -3.00519200
 C                  4.15772500   -0.74259500   -4.01839500
 C                  3.41041700    0.37240500   -4.38811100
 C                  2.20285200    0.63686900   -3.74221100
 H                  3.16419300   -4.27652800    2.41592900
 H                  5.42231000   -4.80897300    1.54578800
 H                  6.02378200   -4.16281500   -0.78248600
 H                  4.21966200   -3.65776000   -3.27396100
 H                  5.55375500   -2.66681400   -2.70784600
 H                  5.10035200   -0.96129400   -4.51640200
 H                  3.76487500    1.03088600   -5.17686500
 H                  1.61334000    1.49892900   -4.04351000
 B                  1.02199300   -3.23551300    1.18866400
 C                  0.83508600   -2.99279300    2.72439900
 C                  1.55822500   -1.99349600    3.40003500
 C                  1.44370000   -1.80982700    4.77550500
 C                  0.62482800   -2.65725300    5.52342500
 C                 -0.09376100   -3.66859400    4.88350400
 C                 -0.00123800   -3.81923200    3.50016000
 H                  2.21866500   -1.34427800    2.83397700
 H                  1.99611400   -1.01156600    5.26070900
 H                  0.54428000   -2.52725400    6.60016500
 H                 -0.73052500   -4.33490700    5.46087500
 H                 -0.56555200   -4.61206200    3.01524500
 C                 -0.19518800   -3.65654500    0.31645000
 C                 -1.51350600   -3.42718400    0.75499400
 C                 -2.61511700   -3.91571000    0.06233300
 C                 -2.42242100   -4.64496200   -1.11113300
 C                 -1.12931700   -4.87385300   -1.58480300
 C                 -0.03495000   -4.38365200   -0.87966600
 H                 -1.67479700   -2.85499700    1.66153700
 H                 -3.61803900   -3.72104600    0.42993500
 H                 -3.27869400   -5.02590900   -1.66164000
 H                 -0.97941900   -5.42686400   -2.50791200
 H                  0.96653700   -4.57975300   -1.25333900
 H                 -0.00383200    0.01345200   -0.50356400
137
HSi3B-exo
 Si                -0.27561400   -0.08407600    2.90344800
 C                 -1.59828900   -1.29671800    2.36661800
 C                 -1.57144000   -2.26286600    1.34716100
 O                 -0.46919800   -2.28847200    0.51678800
 C                 -0.30219600   -3.33580800   -0.37815800
 C                  0.91568300   -3.40261700   -1.06410900
 C                  1.05272700   -4.40675000   -2.04037000
 C                  0.05978400   -5.35103400   -2.28233300
 C                 -1.12318400   -5.27319400   -1.55868300
 C                 -1.32582700   -4.25756600   -0.62585000
 C                 -2.66256600   -4.11380100    0.02888300
 C                 -2.61994500   -3.17999200    1.19678200
 C                 -3.66416200   -3.17573600    2.11901000
 C                 -3.72104300   -2.23792100    3.14134500
 C                 -2.70030600   -1.30264300    3.24111000
 H                  1.98043500   -4.45929600   -2.60844100
 H                  0.20531900   -6.12583400   -3.03037700
 H                 -1.93054200   -5.97946100   -1.74113700
 H                 -3.04510200   -5.09495900    0.33667100
 H                 -3.37621700   -3.72554800   -0.71371400
 H                 -4.45819400   -3.90986400    2.00426000
 H                 -4.55690900   -2.22216700    3.83354400
 H                 -2.74037700   -0.56615600    4.04056600
 B                  2.29197700   -2.64623700   -0.91718100
 C                  2.65780800   -1.69412000   -2.10061300
 C                  3.86929000   -1.80353400   -2.80976100
 C                  4.09578500   -1.07746300   -3.97846800
 C                  3.12247900   -0.19989100   -4.45381600
 C                  1.91762400   -0.06135500   -3.76308700
 C                  1.68789800   -0.81571000   -2.61784100
 H                  4.63005100   -2.50206000   -2.47324900
 H                  5.03389100   -1.19636000   -4.51573400
 H                  3.29989600    0.37538500   -5.35968700
 H                  1.15813800    0.62771100   -4.11922600
 H                  0.73543800   -0.72016300   -2.10465000
 C                  3.32591500   -3.20556300    0.10331800
 C                  4.66457700   -2.76941400    0.13592200
 C                  5.62880900   -3.43159700    0.88946000
 C                  5.26867800   -4.53601600    1.66456600
 C                  3.93950100   -4.96032000    1.69291800
 C                  2.98693200   -4.30386500    0.91801400
 H                  4.94880200   -1.89286500   -0.43597700
 H                  6.65949400   -3.08446700    0.88243700
 H                  6.01963600   -5.05534400    2.25546000
 H                  3.65015900   -5.80616500    2.31172700
 H                  1.95986800   -4.66040900    0.92172600
 C                  1.47159900   -0.75580900    2.81711900
 C                  2.60746300   -0.18139500    2.23587900
 O                  2.43784800    0.91397900    1.40957700
 C                  3.37826600    1.11400200    0.41548200
 C                  2.97635000    1.83544000   -0.71438000
 C                  3.88055600    1.88199500   -1.78866200
 C                  5.15247600    1.31941900   -1.70710700
 C                  5.55496200    0.71392200   -0.52128900
 C                  4.67316900    0.61106500    0.55514200
 C                  5.06850700    0.02350200    1.87819600
 C                  3.89159400   -0.67692400    2.49029800
 C                  4.03586600   -1.80313400    3.29486200
 C                  2.92422600   -2.43198700    3.84703800
 C                  1.66251100   -1.89554200    3.61769100
 H                  3.58039200    2.38338500   -2.70524400
 H                  5.82366000    1.36091000   -2.56010000
 H                  6.55761400    0.30249200   -0.42270000
 H                  5.91018700   -0.66707600    1.76541500
 H                  5.41300100    0.82924400    2.54650500
 H                  5.03299500   -2.19543000    3.47267200
 H                  3.04267100   -3.32414600    4.45520200
 H                  0.79523900   -2.36500900    4.08017300
 B                  1.80796100    2.86836700   -0.86482800
 C                  0.80895100    2.74439900   -2.06297700
 C                  0.99670800    3.53468600   -3.21030200
 C                  0.16820400    3.40327800   -4.32536100
 C                 -0.88779200    2.49230400   -4.30141300
 C                 -1.10449100    1.71758000   -3.16193600
 C                 -0.26181400    1.83933400   -2.05956200
 H                  1.80899900    4.25883600   -3.23683500
 H                  0.34383400    4.01592000   -5.20675300
 H                 -1.54255700    2.38722400   -5.16310300
 H                 -1.92762800    1.01313600   -3.13597700
 H                 -0.43745200    1.22202600   -1.18179900
 C                  1.87092100    4.19274600   -0.05071400
 C                  2.83100400    4.40376400    0.95684900
 C                  2.95757800    5.63537900    1.59284100
 C                  2.12964300    6.69736600    1.22226800
 C                  1.16713200    6.51651900    0.22672500
 C                  1.03733100    5.27559100   -0.39054600
 H                  3.49444900    3.58972000    1.23658600
 H                  3.70368100    5.77320700    2.37163900
 H                  2.23327400    7.66385300    1.70998800
 H                  0.51655400    7.33984500   -0.05880500
 H                  0.28255300    5.13744800   -1.15994800
 C                 -0.40305800    1.74193500    2.49846200
 C                 -1.30450400    2.42918700    1.67669700
 O                 -2.20662300    1.67136400    0.95847000
 C                 -2.90565500    2.24990600   -0.08114000
 C                 -3.64076400    1.37956900   -0.89504600
 C                 -4.23622200    1.92513000   -2.04421000
 C                 -4.15369000    3.28348400   -2.34199300
 C                 -3.48629000    4.12805300   -1.46163100
 C                 -2.86997700    3.62699000   -0.31374700
 C                 -2.26355300    4.54817800    0.70247300
 C                 -1.31553400    3.82769400    1.61441300
 C                 -0.43452600    4.54492500    2.42052900
 C                  0.46233600    3.89630000    3.26104500
 C                  0.47229400    2.50717200    3.28671500
 H                 -4.77949000    1.26381000   -2.71674600
 H                 -4.61202800    3.67779400   -3.24487200
 H                 -3.43770300    5.19779200   -1.65549100
 H                 -3.06990100    5.01130900    1.29268000
 H                 -1.74288900    5.37651800    0.20769600
 H                 -0.44928600    5.62988500    2.37035500
 H                  1.15202100    4.46622300    3.87604500
 H                  1.17872900    1.99701100    3.94001700
 B                 -4.08387600   -0.10039000   -0.62185300
 C                 -3.68554700   -1.15393400   -1.70538300
 C                 -2.32557100   -1.31771700   -2.02364200
 C                 -1.90688500   -2.21831000   -2.99825500
 C                 -2.85111400   -2.96007800   -3.70805300
 C                 -4.20971200   -2.79734800   -3.43249300
 C                 -4.61948800   -1.91116700   -2.43504300
 H                 -1.58239600   -0.74496700   -1.47566300
 H                 -0.84701100   -2.35140700   -3.19652000
 H                 -2.52756300   -3.66416800   -4.47035400
 H                 -4.95098800   -3.36397800   -3.99122100
 H                 -5.68253300   -1.78934900   -2.24095700
 C                 -5.08937900   -0.39462100    0.52585700
 C                 -5.78047900   -1.61782200    0.60930600
 C                 -6.75942000   -1.83997800    1.57473600
 C                 -7.04043900   -0.85085000    2.51730400
 C                 -6.34764000    0.36240400    2.48064200
 C                 -5.39992900    0.58793100    1.48710500
 H                 -5.54177300   -2.41323700   -0.08971100
 H                 -7.28523400   -2.79111800    1.60861200
 H                 -7.79354800   -1.02491400    3.28229400
 H                 -6.55876500    1.13280900    3.21832800
 H                 -4.89029900    1.54671300    1.44955500
 H                 -0.50676000   -0.06512800    4.38037300
137
HSi3B-dead
 Si                 0.05024600   -0.32254600   -0.71210100
 C                 -0.58995500   -1.96958900   -1.34614900
 C                  0.00372400   -3.18691200   -0.99590200
 O                  1.16542200   -3.10731600   -0.25812300
 C                  2.04675500   -4.16371200   -0.31836800
 C                  3.40464700   -3.87094100   -0.11121200
 C                  4.30511500   -4.94571600   -0.22584400
 C                  3.87598400   -6.24100000   -0.50808300
 C                  2.51840200   -6.48282900   -0.71116400
 C                  1.58526700   -5.44886600   -0.61828500
 C                  0.10957400   -5.67109700   -0.81378100
 C                 -0.53813400   -4.42344300   -1.34769600
 C                 -1.68233200   -4.43400600   -2.14948300
 C                 -2.27795700   -3.24280600   -2.55782500
 C                 -1.74080400   -2.02546100   -2.14003800
 H                  5.36596100   -4.75225700   -0.08730500
 H                  4.59364700   -7.05350000   -0.58403700
 H                  2.16987700   -7.48591500   -0.94875900
 H                 -0.35293100   -5.93672300    0.15031000
 H                 -0.06765800   -6.51943700   -1.48366700
 H                 -2.11157800   -5.38991500   -2.44311900
 H                 -3.17212700   -3.25820100   -3.17220700
 H                 -2.22493800   -1.09963800   -2.43450900
 B                  3.95641400   -2.45367400    0.26012300
 C                  5.28554800   -1.99546800   -0.42544000
 C                  6.27714600   -1.30714500    0.29895100
 C                  7.50297200   -0.97849700   -0.27752500
 C                  7.74973600   -1.29413200   -1.61490600
 C                  6.77160500   -1.95215800   -2.36527900
 C                  5.56664600   -2.31589700   -1.76733000
 H                  6.08909100   -1.04401300    1.33681500
 H                  8.26088200   -0.46567500    0.30987700
 H                  8.69930500   -1.02670200   -2.07241900
 H                  6.95746300   -2.19365500   -3.40914300
 H                  4.82274800   -2.85542000   -2.34963400
 C                  3.32206500   -1.58210400    1.37424200
 C                  3.48159800   -0.18310100    1.37871800
 C                  3.01772100    0.59601800    2.43232500
 C                  2.39811500   -0.01356900    3.52451800
 C                  2.21429100   -1.39687300    3.53927800
 C                  2.65492600   -2.16666400    2.46580600
 H                  3.96868100    0.29730200    0.53677100
 H                  3.13130700    1.67589500    2.40288000
 H                  2.04272500    0.59179900    4.35386900
 H                  1.70974800   -1.86816500    4.37812500
 H                  2.49618600   -3.24314800    2.47754600
 C                 -0.29434400   -0.24246100    1.13133100
 C                 -0.23200800    0.94320700    1.87436300
 O                  0.24811600    2.06587900    1.22596600
 C                  0.76949400    3.09117300    1.99260400
 C                  1.63171900    3.97736300    1.34092700
 C                  2.18870500    5.01382400    2.10274800
 C                  1.91579500    5.14349800    3.46527800
 C                  1.02882900    4.25779500    4.07292200
 C                  0.42436900    3.23606700    3.33822600
 C                 -0.61820500    2.32997400    3.92670500
 C                 -0.64027900    1.01153900    3.20750500
 C                 -1.06307300   -0.16038500    3.83527200
 C                 -1.09195300   -1.36399400    3.14459000
 C                 -0.72691200   -1.39131000    1.80178500
 H                  2.85052800    5.73040100    1.62001200
 H                  2.37587800    5.94119800    4.04256500
 H                  0.78099800    4.36484900    5.12706000
 H                 -0.43925400    2.17985300    4.99763400
 H                 -1.60538100    2.81311300    3.84615600
 H                 -1.36657900   -0.11685600    4.87969700
 H                 -1.41866400   -2.27390100    3.63542200
 H                 -0.79041500   -2.33014200    1.26468000
 B                  1.94207900    3.88294800   -0.19669200
 C                  3.14929500    3.03143100   -0.68443300
 C                  4.32076500    2.94355900    0.09174600
 C                  5.42623100    2.21790400   -0.34685800
 C                  5.36569900    1.51628400   -1.55272900
 C                  4.20696300    1.56764700   -2.32774900
 C                  3.12504300    2.33707400   -1.90700600
 H                  4.36397200    3.45502900    1.05080100
 H                  6.32256700    2.16443800    0.26592300
 H                  6.20920500    0.91342400   -1.87394000
 H                  4.14994000    1.00825000   -3.25841800
 H                  2.23016700    2.38239500   -2.51739700
 C                  1.10841200    4.79068600   -1.14549300
 C                  1.55244300    5.14013800   -2.43537700
 C                  0.84384600    6.03957300   -3.22858900
 C                 -0.33490400    6.61234300   -2.74724700
 C                 -0.80081700    6.28158300   -1.47292500
 C                 -0.08262300    5.38680800   -0.68618500
 H                  2.48014600    4.71832800   -2.81254300
 H                  1.21135000    6.30048500   -4.21809000
 H                 -0.88889500    7.31663700   -3.36348700
 H                 -1.72123900    6.72257200   -1.09791300
 H                 -0.44388200    5.14217800    0.30972400
 C                 -0.83199300    1.05376900   -1.64042900
 C                 -1.99938500    1.66820200   -1.17145000
 O                 -2.71293800    0.99163700   -0.20915800
 C                 -3.98947800    1.42185700    0.09632400
 C                 -4.86324600    0.44019600    0.57541700
 C                 -6.12936300    0.86496300    1.00074500
 C                 -6.51940600    2.20164400    0.89135000
 C                 -5.66187600    3.12294300    0.29411900
 C                 -4.38297100    2.74268900   -0.12056900
 C                 -3.45200800    3.67737500   -0.84393100
 C                 -2.43476400    2.90902700   -1.64392700
 C                 -1.81580700    3.42746100   -2.78192300
 C                 -0.74627400    2.76485500   -3.37943900
 C                 -0.23383700    1.61770900   -2.77524000
 H                 -6.84057500    0.13119600    1.37503600
 H                 -7.50641700    2.51106600    1.22514200
 H                 -5.98321400    4.15054300    0.13694800
 H                 -2.91716200    4.31600100   -0.12338700
 H                 -4.02310200    4.35665400   -1.48696300
 H                 -2.16091500    4.37631200   -3.18231000
 H                 -0.27735200    3.17584700   -4.26838200
 H                  0.65016400    1.14178500   -3.19292400
 B                 -4.58083700   -1.08958500    0.33599300
 C                 -4.96514800   -1.61240200   -1.08744800
 C                 -4.91099300   -0.78184200   -2.22370000
 C                 -5.30254000   -1.23825300   -3.47839800
 C                 -5.81398900   -2.53180800   -3.62113400
 C                 -5.91397200   -3.36407300   -2.50588900
 C                 -5.47924600   -2.91157400   -1.26064900
 H                 -4.54238600    0.23611800   -2.12533700
 H                 -5.22397500   -0.58491300   -4.34392200
 H                 -6.13722300   -2.88516900   -4.59732500
 H                 -6.32046500   -4.36729900   -2.60846200
 H                 -5.55703600   -3.57254900   -0.40168500
 C                 -4.14666500   -2.07695100    1.44893000
 C                 -3.44254900   -3.25870800    1.14478300
 C                 -3.11882300   -4.18010700    2.13680500
 C                 -3.52577000   -3.95520000    3.45458700
 C                 -4.21501800   -2.78547100    3.78229800
 C                 -4.49525500   -1.84656100    2.79187300
 H                 -3.12653500   -3.44156700    0.12076800
 H                 -2.55748600   -5.07665400    1.88489100
 H                 -3.29122900   -4.68287300    4.22798400
 H                 -4.51384200   -2.60002700    4.81114700
 H                 -5.00611000   -0.92371900    3.05753800
 H                  1.49089100   -0.16055000   -1.02947200
136
Si3B-active
 Si                -0.00593600   -0.00529700   -2.19090500
 C                 -1.46100000    1.04243000   -2.53107000
 C                 -1.48901800    2.42892600   -2.27817100
 O                 -0.62179100    2.89910100   -1.33985900
 C                 -0.85704700    4.14747100   -0.77563900
 C                 -0.29911200    4.37610600    0.48912600
 C                 -0.61065800    5.60261600    1.10085100
 C                 -1.42043000    6.55180500    0.48048400
 C                 -1.95176000    6.27841900   -0.77674300
 C                 -1.67306700    5.07351500   -1.42435800
 C                 -2.23455000    4.76010500   -2.78248500
 C                 -2.34777600    3.27656000   -2.98095100
 C                 -3.26217900    2.71034300   -3.86715900
 C                 -3.32044100    1.33336000   -4.07528200
 C                 -2.41841400    0.50657300   -3.42122300
 H                 -0.20558800    5.80950500    2.08804400
 H                 -1.64471000    7.49137500    0.97755100
 H                 -2.59846800    7.00131400   -1.26879700
 H                 -1.58073500    5.18061400   -3.56209900
 H                 -3.21134500    5.23802800   -2.91254000
 H                 -3.94710800    3.36740300   -4.39816800
 H                 -4.05115000    0.91046900   -4.75755400
 H                 -2.42931500   -0.55915900   -3.62447900
 B                  0.67723200    3.40050600    1.23684400
 C                  0.38155500    3.09170600    2.73926900
 C                  1.38381400    2.72114600    3.65948300
 C                  1.08869400    2.46711300    4.99704300
 C                 -0.22524700    2.56729700    5.45519000
 C                 -1.23735700    2.95106600    4.57418600
 C                 -0.92965400    3.21987500    3.24487700
 H                  2.41650000    2.65615200    3.33113200
 H                  1.88291500    2.19003300    5.68433500
 H                 -0.45752900    2.35678200    6.49621700
 H                 -2.26209500    3.04518800    4.92425700
 H                 -1.72409400    3.54174100    2.57978400
 C                  1.98171500    2.94042900    0.52644700
 C                  2.75058900    1.83950000    0.95227200
 C                  4.01593600    1.59458400    0.42961400
 C                  4.53360300    2.42472400   -0.56516600
 C                  3.77423300    3.49254500   -1.04305500
 C                  2.51606300    3.74128400   -0.50262700
 H                  2.34731900    1.16655100    1.70290000
 H                  4.60403300    0.75328600    0.78227200
 H                  5.52076900    2.22809300   -0.97560300
 H                  4.16343200    4.12753400   -1.83427200
 H                  1.94043300    4.58843400   -0.86778000
 C                  1.62735400    0.73028900   -2.53786100
 C                  2.84330900    0.06326700   -2.28692900
 O                  2.82063000   -0.91938300   -1.34514000
 C                  4.02105600   -1.33588700   -0.78214900
 C                  3.94391300   -1.92742200    0.48555000
 C                  5.16403300   -2.26552800    1.09617700
 C                  6.38917700   -2.03911600    0.47219500
 C                  6.41412800   -1.44811500   -0.78791800
 C                  5.22905800   -1.09296800   -1.43459400
 C                  5.23429300   -0.45516000   -2.79493900
 C                  4.00408500    0.38187300   -2.99439400
 C                  3.96633400    1.45189700   -3.88652900
 C                  2.80147500    2.18869300   -4.09381300
 C                  1.63753600    1.82323300   -3.43299400
 H                  5.14371500   -2.71439300    2.08586100
 H                  7.31670700   -2.30941100    0.96900700
 H                  7.36208400   -1.24871300   -1.28273700
 H                  6.13531900    0.15300500   -2.92670700
 H                  5.27201300   -1.23414200   -3.57201700
 H                  4.87521100    1.71394300   -4.42307100
 H                  2.79688200    3.02947000   -4.78036300
 H                  0.71894900    2.36401800   -3.63479200
 B                  2.61335500   -2.28237200    1.23880400
 C                  2.50220000   -1.86914400    2.74101700
 C                  1.68662600   -2.55083600    3.66749300
 C                  1.61871400   -2.16284900    5.00369800
 C                  2.36226700   -1.07181200    5.45454800
 C                  3.19531400   -0.38871100    4.56719900
 C                  3.26900300   -0.79428800    3.23905800
 H                  1.11455500   -3.41530800    3.34475500
 H                  0.98479900   -2.71028100    5.69536100
 H                  2.29913700   -0.76063400    6.49438000
 H                  3.78920500    0.45401700    4.91130200
 H                  3.94040700   -0.26785400    2.56878600
 C                  1.55799200   -3.18237300    0.53581000
 C                  1.97727900   -4.04496300   -0.49674300
 C                  1.12970700   -5.01106700   -1.03057800
 C                 -0.17099600   -5.13566900   -0.54275900
 C                 -0.62503000   -4.27171500    0.45428900
 C                  0.22323600   -3.29827100    0.97128300
 H                  2.99607400   -3.96966400   -0.86907500
 H                  1.47976800   -5.66588100   -1.82390600
 H                 -0.83618600   -5.89464000   -0.94615500
 H                 -1.64537700   -4.36075500    0.81378000
 H                 -0.15270400   -2.61315700    1.72509100
 C                 -0.18806600   -1.78860000   -2.53394400
 C                 -1.37392500   -2.50512800   -2.27488300
 O                 -2.20777200   -1.98961900   -1.33022900
 C                 -3.16806900   -2.81718700   -0.76035400
 C                 -3.63714100   -2.44886100    0.50753500
 C                 -4.53784800   -3.33371500    1.12523700
 C                 -4.95764100   -4.51003500    0.50753900
 C                 -4.46460100   -4.83199100   -0.75380300
 C                 -3.56650900   -3.98636700   -1.40728900
 C                 -3.02580300   -4.31291400   -2.77051000
 C                 -1.68463100   -3.67102500   -2.97754200
 C                 -0.74401100   -4.17865900   -3.87185100
 C                  0.47708300   -3.54176000   -4.08642900
 C                  0.74832600   -2.34897900   -3.43148300
 H                 -4.91310900   -3.08727600    2.11512100
 H                 -5.65406100   -5.17559600    1.00980200
 H                 -4.76974500   -5.75367100   -1.24436700
 H                 -3.72235000   -3.95317200   -3.54348500
 H                 -2.95542000   -5.39750400   -2.90372800
 H                 -0.97594300   -5.09811300   -4.40424400
 H                  1.20376900   -3.96247400   -4.77427300
 H                  1.67688400   -1.82749900   -3.63941600
 B                 -3.27835200   -1.11415900    1.25176000
 C                 -2.85774800   -1.21317300    2.75258500
 C                 -2.31202500   -2.41212300    3.25844900
 C                 -1.92010600   -2.54149000    4.58643800
 C                 -2.08825500   -1.47053700    5.46553300
 C                 -2.65739600   -0.28219300    5.00657700
 C                 -3.03224800   -0.15714600    3.67072000
 H                 -2.19687600   -3.26259400    2.59462900
 H                 -1.49003900   -3.47600100    4.93701200
 H                 -1.78491500   -1.56404300    6.50543400
 H                 -2.80739200    0.54726100    5.69172600
 H                 -3.49283100    0.76931900    3.34191700
 C                 -3.53580900    0.24523200    0.54189100
 C                 -2.96402400    1.46112800    0.96496300
 C                 -3.38828700    2.67983400    0.44646500
 C                 -4.37381000    2.71410800   -0.54040600
 C                 -4.92192200    1.52303300   -1.01606800
 C                 -4.50370000    0.30838800   -0.48050600
 H                 -2.17500000    1.44759300    1.71078100
 H                 -2.95142700    3.60967700    0.79657800
 H                 -4.70146400    3.66809500   -0.94537600
 H                 -5.67266000    1.54369000   -1.80140300
 H                 -4.95220900   -0.61333900   -0.84330800
136
Si3B-dead
 Si                 0.24063300   -0.04758700   -1.62711100
 C                  1.47198000   -0.28730100   -2.95843700
 C                  2.79611800   -0.70792200   -2.70120400
 O                  3.30086200   -0.41552200   -1.47273100
 C                  4.37112800   -1.15773200   -0.98082200
 C                  4.66264100   -0.96787300    0.37269900
 C                  5.68387400   -1.76522800    0.91104700
 C                  6.37632100   -2.68950300    0.12711000
 C                  6.09618600   -2.79098500   -1.23277400
 C                  5.09940500   -2.00341200   -1.81392200
 C                  4.88480300   -1.96855700   -3.30248500
 C                  3.54265800   -1.39454500   -3.66080300
 C                  3.00633700   -1.52287000   -4.94258200
 C                  1.76039500   -0.98915000   -5.27308200
 C                  0.98934600   -0.39949400   -4.28208400
 H                  5.96765000   -1.63825200    1.95277300
 H                  7.15626200   -3.30254900    0.57033100
 H                  6.66733400   -3.46884800   -1.86299200
 H                  4.98408000   -2.97329000   -3.72935600
 H                  5.68031700   -1.36354500   -3.76250100
 H                  3.58757400   -2.04445100   -5.69974400
 H                  1.37606300   -1.07882300   -6.28427500
 H                 -0.02025200   -0.07498000   -4.51529800
 B                  4.08635700    0.23005500    1.21464800
 C                  4.68889600    1.64010200    0.90469900
 C                  4.89419700    2.55197300    1.95948400
 C                  5.59822500    3.74071200    1.77222300
 C                  6.09226100    4.06386900    0.50848200
 C                  5.88602500    3.18779100   -0.56152300
 C                  5.21261400    1.98761700   -0.35705500
 H                  4.51929600    2.31224300    2.95046500
 H                  5.75716100    4.41555700    2.60958500
 H                  6.63654400    4.99254900    0.35573800
 H                  6.26641900    3.43658900   -1.54919000
 H                  5.09062200    1.30748100   -1.19457600
 C                  3.17015600    0.04125200    2.45614800
 C                  2.24130700    1.03932800    2.80629400
 C                  1.50544700    0.96986800    3.98525500
 C                  1.70832500   -0.09448700    4.86549400
 C                  2.59996300   -1.11385100    4.52756700
 C                  3.29905100   -1.05818100    3.32233000
 H                  2.09536300    1.88260500    2.13945400
 H                  0.78280600    1.74628000    4.22182400
 H                  1.16228700   -0.13694700    5.80494400
 H                  2.74069800   -1.95818400    5.19804500
 H                  3.96868400   -1.87370100    3.06273500
 C                  0.48471900   -0.87636700   -0.03561700
 C                 -0.24273500   -0.50345800    1.11345400
 O                 -0.92639000    0.66419900    1.02650300
 C                 -1.61034800    1.15480500    2.12265100
 C                 -2.12758700    2.44693200    1.96711400
 C                 -2.88895700    2.95803800    3.02833400
 C                 -3.07411800    2.22821800    4.20369200
 C                 -2.51328800    0.95882300    4.32214700
 C                 -1.77861100    0.39334600    3.27645000
 C                 -1.18841100   -0.98418300    3.38839700
 C                 -0.24402600   -1.28813500    2.26437000
 C                  0.60973000   -2.38790800    2.29871700
 C                  1.38709700   -2.75644600    1.20032100
 C                  1.30396000   -2.02361800    0.03154000
 H                 -3.31668000    3.95401800    2.94009500
 H                 -3.65088600    2.64804600    5.02330600
 H                 -2.64919900    0.38347400    5.23551400
 H                 -0.67756600   -1.09849000    4.35082000
 H                 -1.99285000   -1.73162700    3.37924200
 H                  0.64777900   -2.98033300    3.20778300
 H                  2.03020200   -3.62899700    1.25138100
 H                  1.84156700   -2.35911100   -0.84729400
 B                 -1.75140500    3.34382700    0.73651300
 C                 -0.23863500    3.66083200    0.52498600
 C                  0.56548000    3.94038700    1.64482100
 C                  1.90412000    4.30206300    1.50210100
 C                  2.48857000    4.33053800    0.23596900
 C                  1.71919300    4.03076600   -0.88844300
 C                  0.36716200    3.73058100   -0.74193700
 H                  0.13013100    3.88365100    2.64035500
 H                  2.50435300    4.52827600    2.37950800
 H                  3.54038200    4.57287300    0.12890400
 H                  2.17065200    4.04570600   -1.87777100
 H                 -0.23312700    3.53624700   -1.62253100
 C                 -2.86280100    3.99142700   -0.13280900
 C                 -2.58888300    5.01648900   -1.06094000
 C                 -3.59873700    5.59326600   -1.82581100
 C                 -4.91862300    5.16334900   -1.67270300
 C                 -5.22274300    4.16194500   -0.74828800
 C                 -4.20489200    3.58778000    0.00751500
 H                 -1.57016300    5.37593900   -1.17348400
 H                 -3.36185200    6.38024000   -2.53736900
 H                 -5.71002300    5.61261600   -2.26779800
 H                 -6.25069600    3.83060100   -0.62366000
 H                 -4.44511500    2.80411200    0.72183700
 C                 -1.25607500    0.85381000   -2.17287000
 C                 -2.57202200    0.53687400   -1.77872900
 O                 -2.74977600   -0.50344900   -0.91153400
 C                 -3.92067300   -1.25368500   -1.04745000
 C                 -3.86123000   -2.59060700   -0.65820700
 C                 -5.03413500   -3.34625800   -0.82717500
 C                 -6.19111300   -2.79316200   -1.37246000
 C                 -6.21023200   -1.44562200   -1.72760600
 C                 -5.07495600   -0.65515500   -1.55262100
 C                 -5.04799500    0.81550200   -1.85097900
 C                 -3.67445000    1.22299000   -2.29847600
 C                 -3.45489000    2.24992300   -3.21199500
 C                 -2.16614700    2.59458000   -3.61977900
 C                 -1.08249400    1.89178300   -3.11727900
 H                 -5.03453000   -4.39171500   -0.52618300
 H                 -7.07840400   -3.40599700   -1.50563000
 H                 -7.11282200   -0.99395800   -2.13262000
 H                 -5.31566900    1.37411100   -0.94388900
 H                 -5.79320400    1.07842800   -2.60790900
 H                 -4.31090000    2.79001500   -3.60681000
 H                 -2.01241600    3.40232900   -4.32814700
 H                 -0.08100400    2.14881800   -3.45181900
 B                 -2.60201800   -3.30727900   -0.03255500
 C                 -1.43420700   -3.67208500   -1.00907400
 C                 -1.32555100   -2.96991100   -2.23115100
 C                 -0.29889600   -3.21706000   -3.13737600
 C                  0.66003100   -4.19373700   -2.85978000
 C                  0.54932600   -4.94310500   -1.69086000
 C                 -0.48395500   -4.68632000   -0.78869000
 H                 -2.07819600   -2.23266500   -2.49087700
 H                 -0.25447200   -2.66581900   -4.07013300
 H                  1.46648000   -4.38269300   -3.56342900
 H                  1.26722800   -5.73070300   -1.47684400
 H                 -0.55451000   -5.31836600    0.08767500
 C                 -2.72169300   -3.65438300    1.49054800
 C                 -1.75667800   -4.35680400    2.24179300
 C                 -1.93037600   -4.63458000    3.59420500
 C                 -3.08470100   -4.20861900    4.25475100
 C                 -4.05308900   -3.49278200    3.55107900
 C                 -3.86716600   -3.22144500    2.19720900
 H                 -0.83234200   -4.67233100    1.77793500
 H                 -1.15959100   -5.17563500    4.13739200
 H                 -3.22043200   -4.42236000    5.31193900
 H                 -4.94766600   -3.13903200    4.05706800
 H                 -4.63000100   -2.65418800    1.67340300
141
Si3B-CH4
 Si                 1.26248100   -0.01968600    1.61800700
 C                  2.93149600    0.32304600    0.93559900
 C                  3.28333500    1.55186000    0.35434400
 O                  2.25143700    2.36152300   -0.04101800
 C                  2.50903500    3.36889300   -0.96235500
 C                  1.41897300    3.82544100   -1.71636400
 C                  1.69840000    4.77454100   -2.71545200
 C                  2.98705200    5.25498200   -2.93728200
 C                  4.03558400    4.77904500   -2.15527600
 C                  3.80982700    3.83457200   -1.15231500
 C                  4.92678700    3.32079400   -0.28903800
 C                  4.61548800    1.94399300    0.22078800
 C                  5.61235100    1.04754500    0.60376400
 C                  5.29872200   -0.20317800    1.12868300
 C                  3.96550800   -0.55424900    1.30790000
 H                  0.87930800    5.13964400   -3.32956500
 H                  3.17366800    5.98721400   -3.71777500
 H                  5.04982500    5.13543700   -2.32076800
 H                  5.07604900    3.99878800    0.56556800
 H                  5.87021500    3.31897000   -0.84524700
 H                  6.65238400    1.34229900    0.48439600
 H                  6.08696400   -0.89359200    1.41290700
 H                  3.72473100   -1.50995800    1.76163100
 B                 -0.07669700    3.40973100   -1.49505900
 C                 -0.91057900    3.02011000   -2.75572500
 C                 -2.30960900    3.17783700   -2.83586700
 C                 -3.01832400    2.82355900   -3.98162600
 C                 -2.34772800    2.28875200   -5.08230000
 C                 -0.96073000    2.13911200   -5.04160600
 C                 -0.25970600    2.51386100   -3.90052600
 H                 -2.84951800    3.61101300   -1.99927300
 H                 -4.09489900    2.96417500   -4.01918100
 H                 -2.90257900    1.99985500   -5.97146400
 H                 -0.42707500    1.73937900   -5.89965300
 H                  0.82117400    2.41923600   -3.89469200
 C                 -0.70975100    3.53860900   -0.08050200
 C                 -1.91744500    2.90973000    0.28171900
 C                 -2.55888900    3.20303100    1.47973000
 C                 -1.99177100    4.11965100    2.36615600
 C                 -0.77377500    4.72445200    2.05652200
 C                 -0.14276100    4.43075400    0.85150100
 H                 -2.35879400    2.18036400   -0.39024700
 H                 -3.49667600    2.71946300    1.73587200
 H                 -2.49424700    4.34999400    3.30179700
 H                 -0.31828100    5.42060800    2.75515100
 H                  0.79789600    4.92040800    0.61193900
 C                  0.64943900    1.30683500    2.72829600
 C                 -0.59268200    1.24469200    3.37998300
 O                 -1.50511400    0.35479500    2.87761100
 C                 -2.84713500    0.52572100    3.19384800
 C                 -3.77835200   -0.03185700    2.30671300
 C                 -5.13452700    0.22508900    2.57471300
 C                 -5.53962100    0.97708600    3.67525300
 C                 -4.57757000    1.50062200    4.53429600
 C                 -3.21816100    1.27681000    4.30878700
 C                 -2.16645800    1.82183800    5.23275500
 C                 -0.87004300    2.02306300    4.50397400
 C                  0.09092500    2.93930400    4.92952100
 C                  1.31043000    3.06822500    4.27027500
 C                  1.59211100    2.24430800    3.18644600
 H                 -5.88383300   -0.17840200    1.89858700
 H                 -6.59485700    1.16041400    3.85699700
 H                 -4.87490200    2.09803600    5.39327700
 H                 -2.50263000    2.76198500    5.68272400
 H                 -2.00841700    1.12163500    6.06763900
 H                 -0.12838500    3.56131600    5.79434100
 H                  2.04408700    3.79368200    4.60833800
 H                  2.56139800    2.31448600    2.70390200
 B                 -3.43246500   -0.95715900    1.08887400
 C                 -4.12480600   -0.64319800   -0.27419600
 C                 -4.39075300   -1.62524000   -1.25052500
 C                 -5.01445900   -1.30520900   -2.45431000
 C                 -5.38037500    0.01401200   -2.72437300
 C                 -5.14859400    1.00549100   -1.76988100
 C                 -4.54537500    0.67228800   -0.56192000
 H                 -4.13114400   -2.66122900   -1.05415400
 H                 -5.21604500   -2.08344000   -3.18493500
 H                 -5.85396000    0.26619200   -3.66991100
 H                 -5.44560600    2.03261000   -1.96318500
 H                 -4.40006600    1.44735900    0.18322900
 C                 -2.54681500   -2.21688600    1.30552700
 C                 -2.45240100   -2.78272800    2.59272000
 C                 -1.82919600   -4.00853900    2.80618400
 C                 -1.27179200   -4.69906700    1.73021100
 C                 -1.31709700   -4.14615100    0.44961500
 C                 -1.93430900   -2.91702900    0.24721300
 H                 -2.89878200   -2.26041200    3.43527900
 H                 -1.77457700   -4.42544700    3.80790600
 H                 -0.79046000   -5.66048000    1.88829300
 H                 -0.86290400   -4.67845100   -0.38071200
 H                 -1.94500700   -2.48839500   -0.74998600
 C                  1.11012600   -1.69882200    2.34333800
 C                  1.53574600   -2.85863400    1.67625300
 O                  1.72004900   -2.75387400    0.32283900
 C                  1.74020700   -3.91468700   -0.44004100
 C                  1.42106200   -3.77941700   -1.79821200
 C                  1.34660300   -4.96643300   -2.54807300
 C                  1.59523700   -6.21429200   -1.98079300
 C                  1.91921700   -6.29636400   -0.62952400
 C                  2.00293500   -5.14679200    0.15814500
 C                  2.36606000   -5.21465200    1.61444900
 C                  1.79332600   -4.04585300    2.36183500
 C                  1.54001700   -4.08770100    3.73235500
 C                  1.06209600   -2.97224100    4.41492200
 C                  0.86449700   -1.78125600    3.72527100
 H                  1.08638200   -4.90092000   -3.60136100
 H                  1.52875200   -7.11515400   -2.58425500
 H                  2.10659200   -7.26303600   -0.16751400
 H                  3.46172400   -5.21271600    1.72299100
 H                  2.01821700   -6.15651400    2.05187800
 H                  1.72243000   -5.01636200    4.26829100
 H                  0.86081400   -3.02469000    5.48052900
 H                  0.53717700   -0.90088500    4.26858800
 B                  1.20113100   -2.42003200   -2.54916600
 C                 -0.05083100   -2.30309000   -3.47388000
 C                 -1.18835700   -3.09771700   -3.21853400
 C                 -2.33534200   -3.01584700   -4.00054100
 C                 -2.36822000   -2.14698700   -5.09217800
 C                 -1.24540000   -1.37666700   -5.39698500
 C                 -0.10800000   -1.45143900   -4.59632600
 H                 -1.16695500   -3.79897800   -2.39092600
 H                 -3.19812400   -3.63280100   -3.76482500
 H                 -3.26084500   -2.07808400   -5.70888000
 H                 -1.25907000   -0.71700500   -6.25994500
 H                  0.76085700   -0.85829900   -4.86487500
 C                  2.28819900   -1.31096200   -2.46656700
 C                  2.05239500    0.02738600   -2.83927800
 C                  3.09034900    0.94598700   -2.94633000
 C                  4.39775900    0.55550800   -2.65341200
 C                  4.65690100   -0.75007100   -2.23687400
 C                  3.61302900   -1.66540900   -2.14186900
 H                  1.03729100    0.34964200   -3.04900000
 H                  2.89159800    1.96930800   -3.25007300
 H                  5.20918400    1.27353600   -2.73751100
 H                  5.67019300   -1.05046800   -1.98543200
 H                  3.82816600   -2.68545700   -1.83338200
 C                 -0.15052300   -0.00887200   -0.18636400
 H                  0.42667500    0.91806400   -0.31039300
 H                  0.43224200   -0.93219100   -0.31460100
 H                 -0.83078900   -0.01241600    0.67714400
 H                 -0.82989100   -0.01136000   -1.05055100
141
Si3B-CH4-5.0A
 Si                -1.86975200    0.30025000   -1.12839200
 C                 -2.56267800   -1.38780500   -1.11130000
 C                 -3.08042500   -2.00298100    0.04716600
 O                 -2.61657400   -1.54930700    1.24462500
 C                 -2.79126200   -2.33805800    2.37585600
 C                 -1.92005300   -2.10071600    3.44848500
 C                 -2.03166300   -2.96678400    4.55107000
 C                 -2.97029000   -3.99518900    4.59262400
 C                 -3.82196900   -4.18292800    3.50829900
 C                 -3.74804900   -3.35272700    2.38846500
 C                 -4.67468800   -3.52925100    1.21964100
 C                 -4.04858100   -3.00593800   -0.03931000
 C                 -4.42293300   -3.46537100   -1.30063100
 C                 -3.86523100   -2.93908300   -2.46383600
 C                 -2.94981800   -1.90100500   -2.36976600
 H                 -1.36152400   -2.82190100    5.39428200
 H                 -3.03195900   -4.64854900    5.45835000
 H                 -4.55612300   -4.98542600    3.51819900
 H                 -5.61565200   -2.98934200    1.40756300
 H                 -4.94642600   -4.58356600    1.10181800
 H                 -5.16268400   -4.25980200   -1.36618100
 H                 -4.15607600   -3.32229700   -3.43687600
 H                 -2.55678100   -1.45670600   -3.27788500
 B                 -0.89109900   -0.92239100    3.56056500
 C                  0.53780700   -1.26249800    4.08455900
 C                  1.32801400   -0.33723200    4.79504500
 C                  2.62084500   -0.64996400    5.20799500
 C                  3.16454000   -1.90120600    4.91145800
 C                  2.39580400   -2.84879300    4.23312200
 C                  1.09739500   -2.53352500    3.84449100
 H                  0.91964600    0.64013300    5.03656300
 H                  3.20903700    0.08297900    5.75418900
 H                  4.18047000   -2.14040700    5.21614000
 H                  2.80974700   -3.82803400    4.00700900
 H                  0.50607200   -3.28280900    3.32712600
 C                 -1.35238500    0.54664300    3.34134100
 C                 -0.45947700    1.60579900    3.08112200
 C                 -0.88263500    2.93073700    3.09568400
 C                 -2.21937300    3.23296300    3.35764100
 C                 -3.13374800    2.20355600    3.58149800
 C                 -2.70326000    0.88015500    3.56233500
 H                  0.58010600    1.38480700    2.86109100
 H                 -0.18034400    3.73520500    2.89883900
 H                 -2.54738400    4.26902100    3.37451900
 H                 -4.17941300    2.43433600    3.76519600
 H                 -3.42193200    0.08550100    3.74850100
 C                 -2.71334200    1.53402400   -0.08100800
 C                 -2.28783100    2.87295600    0.03908100
 O                 -0.97621300    3.12840300   -0.22495100
 C                 -0.41860600    4.31893800    0.22731000
 C                  0.97558600    4.34478700    0.37537600
 C                  1.52591400    5.51403700    0.93073100
 C                  0.73735600    6.60242600    1.29651800
 C                 -0.64098700    6.53401900    1.11809000
 C                 -1.23624600    5.39405200    0.57513600
 C                 -2.72019900    5.31351700    0.35796200
 C                 -3.18485600    3.88740400    0.38110100
 C                 -4.49516300    3.53951000    0.70365900
 C                 -4.92517300    2.21459700    0.67877100
 C                 -4.04329500    1.22090500    0.27972200
 H                  2.60198700    5.56280700    1.07476900
 H                  1.19190100    7.49178400    1.72384500
 H                 -1.27486100    7.36996400    1.40555100
 H                 -3.25061600    5.90038600    1.11530000
 H                 -2.97781800    5.76256100   -0.61376000
 H                 -5.18760700    4.32826200    0.98826100
 H                 -5.94494900    1.96080300    0.95057000
 H                 -4.39485100    0.19720500    0.20966400
 B                  1.97567500    3.22665200   -0.08287900
 C                  3.11882200    2.83471700    0.90321900
 C                  4.37046700    2.35777900    0.46560500
 C                  5.35758300    1.96872000    1.36784700
 C                  5.11479100    2.03912300    2.74084300
 C                  3.89437300    2.53309500    3.20515500
 C                  2.92287900    2.93852200    2.29509100
 H                  4.57769500    2.30014300   -0.59929900
 H                  6.31401300    1.60337700    1.00281300
 H                  5.87727800    1.71865700    3.44656600
 H                  3.70194400    2.59890600    4.27287200
 H                  1.98178100    3.32959000    2.66948400
 C                  1.93082400    2.68180300   -1.53911000
 C                  1.40628900    3.49876400   -2.56001700
 C                  1.52344500    3.15285900   -3.90304700
 C                  2.15536800    1.96130300   -4.25915900
 C                  2.64767400    1.11207200   -3.26748400
 C                  2.52976600    1.46640800   -1.92764600
 H                  0.92171100    4.43510700   -2.29340100
 H                  1.11983000    3.80612000   -4.67168100
 H                  2.25482900    1.68669500   -5.30609500
 H                  3.11714900    0.17450500   -3.54975200
 H                  2.90422300    0.79044600   -1.16570300
 C                 -1.22434200    0.89839900   -2.72724300
 C                 -0.52656900    0.07949800   -3.63870800
 O                  0.10030000   -1.01575400   -3.12657700
 C                  1.08818900   -1.63907300   -3.88015400
 C                  2.01696100   -2.41905200   -3.17674600
 C                  3.07355300   -2.96576500   -3.92698500
 C                  3.18651600   -2.76634700   -5.30098900
 C                  2.23248800   -1.99426400   -5.95684700
 C                  1.16739900   -1.42558500   -5.25610900
 C                  0.11940900   -0.60634300   -5.95375100
 C                 -0.51363700    0.36822200   -5.00505600
 C                 -1.11993300    1.54337600   -5.44476400
 C                 -1.74332000    2.41863100   -4.55810300
 C                 -1.80391600    2.09311100   -3.21090700
 H                  3.82087500   -3.56313600   -3.41144200
 H                  4.01436000   -3.20175200   -5.85350100
 H                  2.30816100   -1.81939700   -7.02775300
 H                 -0.65795200   -1.26943600   -6.36390800
 H                  0.55267800   -0.07882600   -6.81004100
 H                 -1.09211600    1.77627500   -6.50665500
 H                 -2.19473900    3.33810600   -4.91728900
 H                 -2.33601700    2.74924800   -2.53052000
 B                  1.94551800   -2.79318900   -1.65535700
 C                  3.26157600   -2.68881100   -0.82517200
 C                  4.24388700   -1.73821600   -1.16842900
 C                  5.39649300   -1.56673800   -0.40782300
 C                  5.61532400   -2.37510200    0.70917400
 C                  4.68451200   -3.35950700    1.04634600
 C                  3.52404000   -3.50817000    0.29074900
 H                  4.09053900   -1.11002000   -2.04056300
 H                  6.12154300   -0.80473300   -0.68185800
 H                  6.51251100   -2.24454600    1.30929900
 H                  4.86117700   -4.00447300    1.90326400
 H                  2.81188600   -4.28120800    0.56562300
 C                  0.65433300   -3.42628000   -1.06272500
 C                  0.37753800   -3.46608600    0.31876900
 C                 -0.67870000   -4.21609200    0.82514700
 C                 -1.49938400   -4.93859500   -0.04172700
 C                 -1.27317000   -4.88745300   -1.41726200
 C                 -0.21592000   -4.13234500   -1.91647900
 H                  0.99915900   -2.89700400    1.00251000
 H                 -0.87409500   -4.24050100    1.89299700
 H                 -2.32022700   -5.52967900    0.35589200
 H                 -1.92305300   -5.43196400   -2.09669000
 H                 -0.04114700   -4.10805500   -2.98957000
 C                  2.37114900   -0.37726700    1.43202400
 H                  2.40029700    0.25823900    2.31543900
 H                  3.22328600   -0.14395000    0.79633900
 H                  2.43106400   -1.41920300    1.74095700
 H                  1.44051400   -0.20575700    0.88191400
141
Si3B-CH4-7.5A
 Si                 0.02137200   -0.05833900   -2.33279300
 C                 -1.76234500   -0.20074600   -2.67830000
 C                 -2.68190100    0.84277900   -2.44978400
 O                 -2.33580500    1.77690200   -1.52063600
 C                 -3.32687800    2.58956300   -0.98374400
 C                 -3.06272100    3.16799400    0.26758800
 C                 -4.10878100    3.91178600    0.84533500
 C                 -5.33721900    4.08262300    0.21203600
 C                 -5.54760000    3.49569300   -1.03145400
 C                 -4.54282200    2.74861700   -1.64848700
 C                 -4.75147600    2.12747000   -3.00014700
 C                 -3.87496600    0.92261000   -3.17137000
 C                 -4.19356900   -0.10983500   -4.05133400
 C                 -3.34630600   -1.20123300   -4.23354900
 C                 -2.13429500   -1.24061500   -3.55981100
 H                 -3.94481200    4.36767000    1.81754000
 H                 -6.12438200    4.66178700    0.68642200
 H                 -6.50281900    3.60962500   -1.53920400
 H                 -4.51631800    2.86131500   -3.78645000
 H                 -5.80367700    1.85755700   -3.13931100
 H                 -5.13239200   -0.05591700   -4.59751700
 H                 -3.62034700   -2.00457500   -4.91017700
 H                 -1.45134700   -2.06378800   -3.74190200
 B                 -1.69961700    3.13993300    1.04284700
 C                 -1.76609900    2.99009500    2.59752100
 C                 -0.89197300    3.70662400    3.44006000
 C                 -1.03709600    3.68879200    4.82616100
 C                 -2.05009200    2.92895600    5.41146100
 C                 -2.92100000    2.19523600    4.60401100
 C                 -2.78586800    2.24195600    3.22005700
 H                 -0.10882000    4.31802900    3.00030200
 H                 -0.35947100    4.26632500    5.45017200
 H                 -2.15898700    2.90551200    6.49283700
 H                 -3.70828500    1.59570300    5.05403700
 H                 -3.49358200    1.69482100    2.60464300
 C                 -0.36964900    3.52516500    0.33737800
 C                  0.89394500    3.22529500    0.88443100
 C                  2.05743200    3.78754000    0.36937800
 C                  1.98650200    4.66011300   -0.71755100
 C                  0.75275600    4.94657700   -1.30190000
 C                 -0.40597100    4.37444900   -0.78550800
 H                  0.95669200    2.54947600    1.73357500
 H                  3.02379800    3.55501100    0.80644700
 H                  2.89509600    5.10711300   -1.11228500
 H                  0.69768800    5.61101400   -2.15952800
 H                 -1.36477600    4.61421700   -1.23891300
 C                  0.80096400    1.54624200   -2.70650100
 C                  2.15572900    1.82750400   -2.43916000
 O                  2.75679100    1.09054600   -1.46361500
 C                  3.93321300    1.56309400   -0.89513600
 C                  4.25070100    1.09066300    0.38760300
 C                  5.39169700    1.64866300    0.99411500
 C                  6.17765300    2.60644700    0.35821600
 C                  5.82613300    3.03595400   -0.91750800
 C                  4.70422700    2.51413800   -1.56344400
 C                  4.32405700    2.95515700   -2.94819500
 C                  2.84908800    2.79560400   -3.16856000
 C                  2.14758900    3.55822100   -4.10035500
 C                  0.78596500    3.36423900   -4.32560100
 C                  0.11996600    2.35762700   -3.64150200
 H                  5.66410900    1.31480800    1.99128900
 H                  7.05141100    3.01849000    0.85509900
 H                  6.42180200    3.78932800   -1.42811600
 H                  4.62599400    3.99437300   -3.11580700
 H                  4.86841300    2.35308600   -3.69211000
 H                  2.68400900    4.32559500   -4.65358400
 H                  0.25325900    3.98025800   -5.04325900
 H                 -0.92730200    2.17138200   -3.85571300
 B                  3.51294100   -0.04924300    1.17239700
 C                  3.34296300    0.14056500    2.71443700
 C                  3.48384200   -0.94152400    3.60694000
 C                  3.46442000   -0.75497500    4.98795000
 C                  3.27428000    0.52204600    5.51641600
 C                  3.11634700    1.61146400    4.65780000
 C                  3.16912000    1.41980300    3.28064400
 H                  3.64818000   -1.94048500    3.21238600
 H                  3.59431100   -1.60573000    5.65236600
 H                  3.24602100    0.66817400    6.59326500
 H                  2.96223500    2.60837500    5.06313500
 H                  3.08404800    2.28246100    2.62682700
 C                  3.21402800   -1.41785700    0.49915400
 C                  4.01161000   -1.84281800   -0.58116700
 C                  3.94893100   -3.14678800   -1.06294800
 C                  3.06254000   -4.05624700   -0.48602400
 C                  2.22970500   -3.65130600    0.55802200
 C                  2.30264600   -2.34778000    1.03853100
 H                  4.71505900   -1.14457800   -1.02832300
 H                  4.58503600   -3.45474900   -1.88788400
 H                  3.01113000   -5.07781100   -0.85337500
 H                  1.52895700   -4.36031900    0.98820000
 H                  1.65178400   -2.04091700    1.85342500
 C                  1.03419100   -1.54444400   -2.62920500
 C                  0.59376800   -2.85208100   -2.34206600
 O                 -0.37865700   -2.98152500   -1.39668100
 C                 -0.57952100   -4.22312900   -0.80593800
 C                 -1.19374200   -4.23299600    0.45617400
 C                 -1.30699400   -5.48689000    1.08581000
 C                 -0.85062600   -6.66094500    0.49217500
 C                 -0.25425200   -6.59973800   -0.76304700
 C                 -0.11829800   -5.38174700   -1.43105700
 C                  0.50717900   -5.30593600   -2.79453300
 C                  1.11358300   -3.95382000   -3.02495900
 C                  2.15875100   -3.75004500   -3.92375100
 C                  2.67779600   -2.47906900   -4.16340800
 C                  2.11132000   -1.38279900   -3.52948200
 H                 -1.76915500   -5.53364100    2.06767700
 H                 -0.95224400   -7.61243600    1.00641100
 H                  0.11793300   -7.50358500   -1.24021100
 H                 -0.25619700   -5.49635600   -3.56473700
 H                  1.26303100   -6.08932700   -2.91351400
 H                  2.57632000   -4.61170200   -4.43938500
 H                  3.50365800   -2.34257200   -4.85453200
 H                  2.47917100   -0.38788700   -3.75776200
 B                 -1.83415500   -3.00788800    1.19714300
 C                 -1.64546000   -2.93767500    2.74747500
 C                 -0.47440600   -3.41780000    3.36808200
 C                 -0.34366400   -3.46256300    4.75261600
 C                 -1.40580400   -3.05781300    5.56341000
 C                 -2.58375500   -2.59086100    4.98015600
 C                 -2.69318800   -2.51907700    3.59242000
 H                  0.34568700   -3.77338900    2.75169500
 H                  0.57936400   -3.82190600    5.20077200
 H                 -1.31365200   -3.10355200    6.64565200
 H                 -3.41580700   -2.27943600    5.60693400
 H                 -3.62309100   -2.16676600    3.15439800
 C                 -2.83934500   -2.06869200    0.47454300
 C                 -3.19813000   -0.80383000    0.98257200
 C                 -4.26872200   -0.08973400    0.45397700
 C                 -5.00670700   -0.62230100   -0.60406900
 C                 -4.65302600   -1.85684600   -1.14848500
 C                 -3.57424700   -2.56051100   -0.62168900
 H                 -2.63256800   -0.38451600    1.81113900
 H                 -4.53903800    0.88101900    0.85812600
 H                 -5.85040500   -0.06826900   -1.00702100
 H                 -5.21485000   -2.26481900   -1.98384100
 H                 -3.31275400   -3.52741200   -1.04486500
 C                 -0.09896000    0.12812500    5.16392300
 H                 -1.12388500   -0.13445700    4.89739500
 H                  0.17769200    1.06348300    4.67410800
 H                 -0.02368900    0.25242700    6.24818900
 H                  0.57609900   -0.66670200    4.84238600
141
Si3B-CH4-10A
 Si                 0.58219300    0.05611200   -2.23027300
 C                  0.21066200    1.79426300   -2.64596300
 C                  0.97135300    2.87779200   -2.16206500
 O                  1.66594800    2.67038500   -1.01033400
 C                  2.12559100    3.76939800   -0.29503500
 C                  2.37197100    3.56366500    1.06830200
 C                  2.75391000    4.69118600    1.81506600
 C                  2.89404500    5.94883700    1.23139900
 C                  2.63483000    6.10369500   -0.12752800
 C                  2.25079200    5.01391300   -0.91106800
 C                  1.96876600    5.16013400   -2.37979200
 C                  1.02749700    4.09037000   -2.85216700
 C                  0.22514100    4.24956600   -3.98057900
 C                 -0.60633000    3.22769100   -4.43557600
 C                 -0.60456800    2.00469300   -3.78028000
 H                  2.94142900    4.57222400    2.87912200
 H                  3.19010500    6.80345700    1.83323900
 H                  2.72221800    7.08170200   -0.59553300
 H                  2.90911800    5.09101800   -2.94818300
 H                  1.55628800    6.15220100   -2.59234600
 H                  0.25131900    5.20072500   -4.50720800
 H                 -1.23592600    3.37760700   -5.30701800
 H                 -1.21073800    1.19277200   -4.16798500
 B                  2.29904300    2.17387500    1.79677100
 C                  1.49132700    2.10377700    3.13128600
 C                  1.74889400    1.15211600    4.14011200
 C                  1.03369600    1.14414300    5.33544900
 C                  0.03335200    2.09123900    5.55815300
 C                 -0.24188600    3.05053600    4.58307300
 C                  0.48583800    3.05722800    3.39823200
 H                  2.54136500    0.42335700    4.00145100
 H                  1.25655700    0.40039900    6.09541700
 H                 -0.52512000    2.08677000    6.48980500
 H                 -1.01675300    3.79453000    4.74995900
 H                  0.27723400    3.82627800    2.66218700
 C                  3.17884300    1.00214800    1.27549200
 C                  2.96822900   -0.34672900    1.62309900
 C                  3.90281400   -1.32833300    1.31095400
 C                  5.06022200   -0.99408200    0.60737200
 C                  5.27123300    0.32426700    0.20463500
 C                  4.33955800    1.30386400    0.53504200
 H                  2.05705300   -0.62843700    2.14235100
 H                  3.73555500   -2.36081200    1.60043100
 H                  5.78679100   -1.76469000    0.36289400
 H                  6.15904400    0.58523200   -0.36495400
 H                  4.52302600    2.33242800    0.23397900
 C                  2.34805500   -0.39612200   -2.13774500
 C                  2.79222700   -1.68985900   -1.79807500
 O                  1.93642600   -2.45899800   -1.07123800
 C                  2.43648600   -3.56639900   -0.39692800
 C                  1.69167100   -4.01432300    0.70154500
 C                  2.23817800   -5.07850600    1.43910600
 C                  3.45154600   -5.66949800    1.09234900
 C                  4.15654900   -5.18706100   -0.00679700
 C                  3.65569300   -4.13082800   -0.76989600
 C                  4.39996100   -3.59651000   -1.96089900
 C                  4.03791100   -2.16223800   -2.21610300
 C                  4.88883100   -1.28663100   -2.88781000
 C                  4.51521400    0.02790200   -3.16214700
 C                  3.24929400    0.46620700   -2.80116800
 H                  1.69426000   -5.44462700    2.30604800
 H                  3.85046500   -6.49047300    1.68149800
 H                  5.11369800   -5.62490200   -0.28123400
 H                  5.48036000   -3.69684400   -1.81264600
 H                  4.15545800   -4.19500300   -2.85205900
 H                  5.86813200   -1.64638000   -3.19480900
 H                  5.19926300    0.69921500   -3.67175400
 H                  2.93968600    1.47222700   -3.06377900
 B                  0.28969500   -3.45067400    1.12992500
 C                  0.08882200   -3.09257800    2.63646000
 C                 -1.17149900   -3.10255800    3.26976500
 C                 -1.30856500   -2.81596100    4.62609300
 C                 -0.18437700   -2.50538600    5.39218800
 C                  1.07746500   -2.49193700    4.79723100
 C                  1.20519500   -2.79331100    3.44585000
 H                 -2.05668100   -3.36785800    2.70008500
 H                 -2.29180000   -2.83517700    5.08799100
 H                 -0.28983300   -2.28227000    6.44980900
 H                  1.95890100   -2.25450500    5.38749000
 H                  2.19649700   -2.80607000    3.00559800
 C                 -0.87539900   -3.46009500    0.10003400
 C                 -0.82965600   -4.37873000   -0.96784000
 C                 -1.91943700   -4.57435000   -1.81103700
 C                 -3.09064700   -3.84522200   -1.60727000
 C                 -3.15261500   -2.90400500   -0.57932100
 C                 -2.05411200   -2.70322300    0.24972800
 H                  0.07221500   -4.96595800   -1.12291000
 H                 -1.85800500   -5.29157300   -2.62502500
 H                 -3.95037800   -3.99712800   -2.25476800
 H                 -4.06021000   -2.32502100   -0.44194700
 H                 -2.10724100   -1.94552100    1.02573000
 C                 -0.54583800   -1.20354200   -2.91757100
 C                 -1.93789800   -1.00971000   -3.02295400
 O                 -2.49425300   -0.10094800   -2.17619900
 C                 -3.86734600   -0.13287000   -1.96492900
 C                 -4.32489100    0.43007500   -0.76694900
 C                 -5.70227700    0.32361400   -0.50867400
 C                 -6.57364800   -0.29802100   -1.40090200
 C                 -6.07030300   -0.84554700   -2.57770800
 C                 -4.70937800   -0.76601300   -2.87831400
 C                 -4.14616900   -1.34727700   -4.14442200
 C                 -2.69672100   -1.69781600   -3.97179400
 C                 -2.06650400   -2.66830400   -4.74854900
 C                 -0.70807800   -2.94703300   -4.60834500
 C                  0.04944600   -2.21185200   -3.70791400
 H                 -6.09217400    0.73785000    0.41755800
 H                 -7.63402900   -0.36655900   -1.17477200
 H                 -6.73366700   -1.34971400   -3.27690900
 H                 -4.24728900   -0.62030200   -4.96501000
 H                 -4.71891200   -2.23025200   -4.44716800
 H                 -2.66016200   -3.22066200   -5.47322700
 H                 -0.23982300   -3.71879400   -5.21118100
 H                  1.11671700   -2.39325800   -3.63815300
 B                 -3.42708600    1.19814300    0.26808900
 C                 -3.55939800    0.79479200    1.77069600
 C                 -4.03970800   -0.48591800    2.11716600
 C                 -4.19485500   -0.88319300    3.44054800
 C                 -3.89389800    0.00946000    4.46957800
 C                 -3.43625300    1.29154100    4.16333400
 C                 -3.27080300    1.67490600    2.83446600
 H                 -4.30488100   -1.18213200    1.32884700
 H                 -4.55560400   -1.88259700    3.67003000
 H                 -4.02141000   -0.29016600    5.50557100
 H                 -3.20908000    1.99170600    4.96229100
 H                 -2.93953400    2.68624500    2.62046000
 C                 -2.60868400    2.43126800   -0.20941600
 C                 -1.54300200    2.99119800    0.52245200
 C                 -0.98374500    4.21347800    0.16529400
 C                 -1.45089200    4.89470900   -0.95898900
 C                 -2.47026400    4.34034300   -1.73265900
 C                 -3.03586600    3.12471600   -1.35965400
 H                 -1.14630800    2.45816700    1.38128700
 H                 -0.17434000    4.64054900    0.74864200
 H                 -1.00943700    5.84833600   -1.23658200
 H                 -2.82098200    4.85529400   -2.62292600
 H                 -3.84347500    2.71022500   -1.95820200
 C                 -1.95547900   -0.18817400    7.43929500
 H                 -2.60036100    0.66884100    7.65399700
 H                 -1.05741200   -0.13307000    8.06154400
 H                 -2.49518200   -1.11351500    7.66089000
 H                 -1.67065500   -0.17477200    6.38611900
149
HSi3P-endo
 Si                 0.04432100    0.03321500    1.63904600
 C                  1.76130700    0.35514400    2.33446500
 C                  2.48483000    1.45989200    1.88003700
 O                  1.78001500    2.35518900    1.11020700
 C                  2.45517600    3.07785000    0.15686200
 C                  1.68557100    3.63684500   -0.87759900
 C                  2.38936900    4.29148500   -1.89707300
 C                  3.77978700    4.39545400   -1.87572800
 C                  4.49572700    3.90427700   -0.78447600
 C                  3.83745100    3.26216400    0.26314700
 C                  4.53919200    2.83033600    1.52661500
 C                  3.83753100    1.65509300    2.15224700
 C                  4.47707300    0.71953800    2.96805400
 C                  3.77659200   -0.36549100    3.49377700
 C                  2.43130300   -0.54782200    3.16782400
 H                  1.84398800    4.73952900   -2.71914900
 H                  4.29936900    4.89329800   -2.69027300
 H                  5.57500800    4.03174300   -0.73348900
 H                  4.55463200    3.67610900    2.23217400
 H                  5.58692900    2.58467200    1.32016300
 H                  5.53679600    0.84253000    3.18239400
 H                  4.28577200   -1.08306300    4.13188400
 H                  1.90336100   -1.42261600    3.53951700
 P                 -0.15153200    3.55711300   -0.67621300
 C                 -1.17823600    1.30419200    2.26490800
 C                 -2.42606100    1.48344100    1.65754700
 O                 -2.71490700    0.68271400    0.56742900
 C                 -4.03705500    0.41376600    0.28422900
 C                 -4.34400600   -0.75683100   -0.43621300
 C                 -5.70560700   -1.04653800   -0.61557100
 C                 -6.71364000   -0.21393700   -0.13898600
 C                 -6.37078300    0.96982600    0.50929600
 C                 -5.03372200    1.30241500    0.71337200
 C                 -4.62573600    2.60278200    1.34808700
 C                 -3.34923300    2.42380300    2.11561300
 C                 -3.03296800    3.16941200    3.25318500
 C                 -1.81091000    2.99971700    3.89903700
 C                 -0.89044800    2.08126600    3.39283000
 H                 -5.98545900   -1.95075300   -1.13952600
 H                 -7.75693600   -0.47884500   -0.28828700
 H                 -7.14325000    1.65139100    0.85914700
 H                 -4.47715100    3.35845800    0.55993000
 H                 -5.42186700    2.98434000    1.99601300
 H                 -3.75365800    3.89614400    3.62272900
 H                 -1.57056500    3.58971000    4.77949700
 H                  0.07484600    1.96420200    3.88072400
 P                 -2.98305400   -1.80855600   -1.12451000
 C                 -0.48071500   -1.62723300    2.34131400
 C                  0.10275600   -2.80325300    1.85658100
 O                  0.97618200   -2.62327400    0.81279200
 C                  1.76485900   -3.65616500    0.37791600
 C                  2.79798600   -3.31550800   -0.51697500
 C                  3.56679000   -4.37012700   -1.02436100
 C                  3.35404400   -5.69048400   -0.63266900
 C                  2.34903000   -5.98024400    0.28572600
 C                  1.53455300   -4.97029000    0.80000700
 C                  0.43195400   -5.29489200    1.77546200
 C                 -0.17123500   -4.06206300    2.38844400
 C                 -1.04497900   -4.12839800    3.47750900
 C                 -1.63702300   -2.98080600    3.99927800
 C                 -1.35919700   -1.73892300    3.42385100
 H                  4.35533800   -4.15696300   -1.73488900
 H                  3.97261100   -6.48627000   -1.03904800
 H                  2.17992500   -7.00586000    0.60808400
 H                  0.81715100   -5.95634700    2.56212600
 H                 -0.35416300   -5.86741300    1.26216300
 H                 -1.26883400   -5.10189200    3.90967100
 H                 -2.31943200   -3.05439600    4.84182500
 H                 -1.82791600   -0.84171800    3.82158200
 P                  3.09966100   -1.52245500   -0.87512800
 C                 -0.88313500    3.50389600   -2.42617800
 C                 -0.13626900    2.37957100   -3.15473300
 H                 -0.07285000    1.47744400   -2.53664900
 H                 -0.67281600    2.11648000   -4.07610800
 H                  0.88276700    2.66901100   -3.42549300
 C                 -2.33631000    3.04421100   -2.21123400
 H                 -2.37632900    2.12388200   -1.62259000
 H                 -2.93480400    3.80007700   -1.69365600
 H                 -2.80950300    2.85427500   -3.18391900
 C                 -0.90328200    4.76304300   -3.29520700
 H                 -1.51402300    5.55426400   -2.85046700
 H                  0.09186900    5.17162500   -3.48874900
 H                 -1.35004600    4.51728000   -4.26933600
 C                 -0.42737400    5.27933400    0.09243300
 C                 -1.93766800    5.51632900    0.19567700
 H                 -2.44009200    4.66754100    0.67204500
 H                 -2.12752200    6.40638800    0.81122100
 H                 -2.39671800    5.69087500   -0.78233000
 C                  0.14050200    5.16845400    1.51472700
 H                 -0.08412900    6.09098400    2.06830900
 H                 -0.29567800    4.32564900    2.05709000
 H                  1.22864500    5.04365500    1.50525700
 C                  0.24520900    6.46301300   -0.60366200
 H                 -0.12449800    6.62281700   -1.61881900
 H                  0.04589200    7.37958600   -0.02966900
 H                  1.33076400    6.33264700   -0.65223500
 C                 -3.32927300   -1.70969500   -2.99565300
 C                 -2.83847400   -0.30841800   -3.38026900
 H                 -3.44874500    0.46463400   -2.90273200
 H                 -1.79796100   -0.14585100   -3.08616700
 H                 -2.91437100   -0.17004500   -4.46788100
 C                 -2.45113400   -2.75688900   -3.69164800
 H                 -2.84489500   -3.77001400   -3.56433600
 H                 -2.42439600   -2.54888100   -4.77007100
 H                 -1.42188900   -2.74039400   -3.32240500
 C                 -4.76798300   -1.85391300   -3.49723600
 H                 -5.22836400   -2.80182500   -3.20796500
 H                 -5.40252200   -1.03697200   -3.14265600
 H                 -4.76352500   -1.81127800   -4.59586800
 C                 -3.38392300   -3.55800100   -0.49199200
 C                 -2.08387900   -4.35837900   -0.67316100
 H                 -1.23504300   -3.83724300   -0.22357200
 H                 -2.18616500   -5.33692100   -0.18471700
 H                 -1.84921000   -4.53708800   -1.72627500
 C                 -4.53118500   -4.34564000   -1.12652800
 H                 -4.59697000   -5.32993900   -0.64080100
 H                 -5.50130100   -3.85950900   -0.99417400
 H                 -4.37401300   -4.52210800   -2.19433800
 C                 -3.64512500   -3.40143900    1.00999600
 H                 -3.65914300   -4.39069700    1.48624100
 H                 -2.86108300   -2.81264300    1.49530100
 H                 -4.60602000   -2.91382800    1.20390800
 C                  2.36992900   -1.37268700   -2.61803000
 C                  0.85323400   -1.44402500   -2.40221100
 H                  0.34531400   -1.29979000   -3.36437200
 H                  0.54676900   -2.41542000   -1.99978900
 H                  0.49690900   -0.67653900   -1.70995700
 C                  2.72199100    0.01597600   -3.16316900
 H                  3.77553200    0.08937000   -3.45085100
 H                  2.12061300    0.22083000   -4.05908200
 H                  2.50930800    0.80410900   -2.43161600
 C                  2.75718500   -2.45466800   -3.62683300
 H                  2.23629900   -2.26641000   -4.57673600
 H                  3.82900500   -2.47494800   -3.83624500
 H                  2.45740100   -3.44774800   -3.27716900
 C                  4.99763900   -1.35706200   -0.95110000
 C                  5.25238400    0.15244800   -0.80539000
 H                  4.77120300    0.54015900    0.09402000
 H                  6.33286900    0.33806400   -0.72613700
 H                  4.87744500    0.72646400   -1.65700900
 C                  5.53670500   -2.04030400    0.31380300
 H                  6.58749900   -1.75524000    0.46164300
 H                  4.97677200   -1.72715900    1.20320400
 H                  5.48729800   -3.13111100    0.24802600
 C                  5.76887900   -1.84766300   -2.17871900
 H                  6.84053600   -1.65662500   -2.02348800
 H                  5.65830500   -2.91853500   -2.36573600
 H                  5.47388600   -1.31122600   -3.08527500
 H                  0.09846300    0.03519200    0.16637800
149
HSi3P-exo
 Si                 0.09482400   -0.08689500    2.83490300
 C                  1.58417400    0.97969800    2.41717000
 C                  1.71214900    2.17391700    1.69278800
 O                  0.65077400    2.59424400    0.90955200
 C                  0.88111100    3.51184200   -0.10151700
 C                 -0.07180800    3.62494400   -1.13370900
 C                  0.23135600    4.49569600   -2.18901400
 C                  1.41364400    5.22708900   -2.23825400
 C                  2.29944600    5.14640600   -1.17000000
 C                  2.02787200    4.31416100   -0.08648000
 C                  2.91769100    4.29408800    1.11737000
 C                  2.87302900    2.95467700    1.78692400
 C                  3.94658600    2.50313000    2.54765100
 C                  3.87213000    1.29930200    3.23846300
 C                  2.69480200    0.56832400    3.17701700
 H                 -0.48453700    4.61492900   -2.99106200
 H                  1.62153400    5.87701100   -3.08404900
 H                  3.21071000    5.74052800   -1.15967400
 H                  2.58727800    5.07032700    1.82648300
 H                  3.94603800    4.55258800    0.84127300
 H                  4.84424300    3.11573300    2.59969600
 H                  4.70939900    0.94630200    3.83414000
 H                  2.62294800   -0.35124900    3.75477300
 P                 -1.69131000    2.75164200   -1.00312300
 C                 -1.56857700    0.79067900    2.85777500
 C                 -2.77498200    0.48540500    2.21075000
 O                 -2.77236700   -0.56991700    1.32559800
 C                 -3.81392000   -0.73032900    0.43961700
 C                 -3.66446400   -1.69385000   -0.57859800
 C                 -4.66510800   -1.73502000   -1.55998700
 C                 -5.78747300   -0.91429300   -1.51684400
 C                 -5.95691700   -0.05945300   -0.43297200
 C                 -4.98784900    0.02382500    0.56462500
 C                 -5.23438200    0.81856000    1.81333900
 C                 -3.95103500    1.19367300    2.49196000
 C                 -3.91996200    2.21978400    3.43437300
 C                 -2.74407200    2.54216300    4.10339500
 C                 -1.58873500    1.82659500    3.80848100
 H                 -4.56369100   -2.43282400   -2.38025300
 H                 -6.53341200   -0.96345400   -2.30550000
 H                 -6.85471300    0.54886600   -0.34347700
 H                 -5.82304200    1.71597700    1.58983300
 H                 -5.85173500    0.21853300    2.50081400
 H                 -4.83790500    2.76656300    3.64015000
 H                 -2.72539600    3.34332300    4.83689400
 H                 -0.66904500    2.07224400    4.33726000
 P                 -2.31200000   -2.95489800   -0.46885000
 C                  0.05274900   -1.89329300    2.33058000
 C                  0.99229100   -2.67656900    1.64626500
 O                  2.05222800   -2.03604800    1.02702200
 C                  2.72762400   -2.67933900    0.00872900
 C                  3.55127400   -1.90870500   -0.83950900
 C                  4.11406300   -2.56784400   -1.94274300
 C                  3.92198000   -3.92601600   -2.18039000
 C                  3.20129100   -4.67612500   -1.25829300
 C                  2.61911400   -4.06675700   -0.14893200
 C                  1.93192000   -4.88096200    0.90668200
 C                  0.88864800   -4.07293900    1.61756600
 C                 -0.16336600   -4.69384100    2.28477300
 C                 -1.11633500   -3.94695300    2.96754400
 C                 -0.99662800   -2.56408400    2.98147900
 H                  4.74026200   -2.00943400   -2.62396800
 H                  4.36565500   -4.39786100   -3.05309400
 H                  3.08643200   -5.75040900   -1.38747500
 H                  2.68163400   -5.24096000    1.62949100
 H                  1.48123200   -5.77734100    0.46514100
 H                 -0.22434600   -5.77975900    2.26376400
 H                 -1.94224700   -4.43500500    3.47784200
 H                 -1.73817900   -1.98065200    3.52432500
 P                  4.08415200   -0.21477200   -0.30498100
 H                  0.31480200   -0.23402100    4.30772700
 C                 -2.27605900    2.44227700   -2.79284400
 C                 -1.10552000    1.79644100   -3.54646700
 H                 -0.64441200    0.99601100   -2.96250700
 H                 -1.47598200    1.35608100   -4.48218500
 H                 -0.32311300    2.51746300   -3.79782500
 C                 -3.38223000    1.38640900   -2.63489700
 H                 -3.04017400    0.52368800   -2.06039100
 H                 -4.26350600    1.78357500   -2.12476800
 H                 -3.70168200    1.03300300   -3.62489800
 C                 -2.85774000    3.58519000   -3.63134800
 H                 -3.76536700    3.99827000   -3.18244500
 H                 -2.16166400    4.40927300   -3.80519300
 H                 -3.13796200    3.18640600   -4.61679200
 C                 -2.70588000    4.18187500   -0.25633800
 C                 -4.17046500    3.73768100   -0.19736400
 H                 -4.26221300    2.72987900    0.21621300
 H                 -4.73879500    4.42216200    0.44716800
 H                 -4.64295300    3.74547900   -1.18453500
 C                 -2.16943400    4.31745900    1.17345900
 H                 -2.80668400    5.00905500    1.74133300
 H                 -2.15908500    3.35943800    1.69419700
 H                 -1.15074300    4.71951800    1.18070400
 C                 -2.59875800    5.54923500   -0.93275300
 H                 -2.98842300    5.55393500   -1.95248600
 H                 -3.18242300    6.27834600   -0.35231800
 H                 -1.56340700    5.90262200   -0.95982600
 C                 -1.21380400   -2.47447100   -1.93022300
 C                 -0.47528500   -1.23242200   -1.41811200
 H                 -1.15608100   -0.40802400   -1.17904100
 H                  0.11160100   -1.44881400   -0.52308800
 H                  0.21224400   -0.88637900   -2.19681400
 C                 -0.18730500   -3.58772200   -2.15257000
 H                 -0.62473900   -4.46043400   -2.64822700
 H                  0.62885900   -3.21791200   -2.78756600
 H                  0.25820600   -3.91367000   -1.20930300
 C                 -1.89585500   -2.13160000   -3.25461900
 H                 -2.44520300   -2.97802200   -3.67479200
 H                 -2.58641700   -1.29224900   -3.14969800
 H                 -1.12994500   -1.83687400   -3.98640700
 C                 -3.21426800   -4.59851600   -0.85330500
 C                 -2.26621900   -5.69294100   -0.33402100
 H                 -2.04428900   -5.54684900    0.72531500
 H                 -2.73988000   -6.67712800   -0.45671200
 H                 -1.31483800   -5.71079200   -0.87428300
 C                 -3.58937400   -4.95478900   -2.29469000
 H                 -4.06512800   -5.94621600   -2.30254900
 H                 -4.30042200   -4.25844600   -2.74466200
 H                 -2.71075900   -5.01391300   -2.94322000
 C                 -4.47093600   -4.62352600    0.02820400
 H                 -4.88602700   -5.64074600    0.04477100
 H                 -4.23806500   -4.33971900    1.06246600
 H                 -5.24667000   -3.94581100   -0.33974600
 C                  3.87581500    0.87383500   -1.84877900
 C                  2.35965800    1.08517600   -1.92339700
 H                  2.11848900    1.87105500   -2.65066700
 H                  1.86466200    0.16431600   -2.24145700
 H                  1.93468300    1.37498200   -0.96145300
 C                  4.55964200    2.20996300   -1.53451700
 H                  5.64751100    2.14024900   -1.63960300
 H                  4.20375600    2.97677700   -2.23449500
 H                  4.33021600    2.55221700   -0.52109400
 C                  4.33815500    0.39572200   -3.22812800
 H                  4.18157400    1.21027400   -3.95011100
 H                  5.39753300    0.12931900   -3.26134300
 H                  3.74967800   -0.45722500   -3.57779700
 C                  5.94242700   -0.55618500    0.01903400
 C                  6.48090300    0.63091800    0.83065000
 H                  5.89138700    0.78774500    1.73580500
 H                  7.52008700    0.42799800    1.12563900
 H                  6.47465800    1.56415400    0.26110100
 C                  5.98051200   -1.79507100    0.92650600
 H                  6.99257000   -1.91576200    1.33661200
 H                  5.28551400   -1.69640700    1.76994500
 H                  5.72409500   -2.70833500    0.38068000
 C                  6.86684800   -0.77927900   -1.17764700
 H                  7.88245500   -0.99059700   -0.81221500
 H                  6.56232900   -1.63038300   -1.79162900
 H                  6.93079700    0.10869100   -1.81400800
149
HSi3P-dead
 Si                -0.43882800   -0.91228300    0.74254700
 C                 -0.40049700   -0.07340800   -0.92954300
 C                 -1.58703900    0.30628100   -1.57575300
 O                 -2.76204300    0.13481900   -0.87137300
 C                 -3.97018300    0.17687300   -1.52278600
 C                 -5.08495500   -0.35629600   -0.84524200
 C                 -6.32321400   -0.28042500   -1.49710900
 C                 -6.45614800    0.26381300   -2.77146600
 C                 -5.33085100    0.76671700   -3.41753200
 C                 -4.08117800    0.74219700   -2.79947200
 C                 -2.87485300    1.33618900   -3.47089400
 C                 -1.59708900    0.82690000   -2.87081200
 C                 -0.38837000    0.90144400   -3.56072800
 C                  0.80551200    0.52838000   -2.95440400
 C                  0.79425700    0.05656700   -1.64411000
 H                 -7.20525400   -0.66213500   -0.99921600
 H                 -7.42963700    0.29681400   -3.25317900
 H                 -5.41500600    1.19785100   -4.41304300
 H                 -2.90688700    2.43324500   -3.37791800
 H                 -2.90109700    1.12766000   -4.54710800
 H                 -0.39076200    1.28138500   -4.58058800
 H                  1.73831100    0.62482000   -3.50028000
 H                  1.72610100   -0.22729500   -1.16037200
 P                 -4.85294600   -1.14476500    0.81086800
 C                 -0.49125900   -2.76570500    0.40774600
 C                  0.59145700   -3.56992800    0.01369000
 O                  1.82210900   -2.95301100   -0.08027700
 C                  2.87455600   -3.59188900   -0.69779900
 C                  4.02493400   -2.82622600   -0.97850800
 C                  5.08437800   -3.46956500   -1.63182700
 C                  5.01928100   -4.80965300   -2.00196800
 C                  3.88194800   -5.54466200   -1.68288900
 C                  2.80850000   -4.95437000   -1.01587900
 C                  1.62755300   -5.78129300   -0.59350800
 C                  0.43689400   -4.93192700   -0.25670700
 C                 -0.83966700   -5.49277100   -0.16796600
 C                 -1.93651500   -4.72435900    0.20562300
 C                 -1.75127700   -3.37334700    0.49832200
 H                  5.98180300   -2.90607900   -1.85818200
 H                  5.85247500   -5.27755600   -2.51928300
 H                  3.82050300   -6.60039000   -1.93942400
 H                  1.36916400   -6.50017700   -1.38047400
 H                  1.90537100   -6.38480800    0.28489900
 H                 -0.96010400   -6.55164300   -0.38923300
 H                 -2.92376900   -5.17361600    0.27218700
 H                 -2.60199300   -2.75909000    0.78743500
 P                  4.09738700   -1.05968400   -0.45503400
 C                  0.86142000   -0.56697300    2.06073700
 C                  1.59077100    0.60782900    2.29651800
 O                  1.48580400    1.60296600    1.35218100
 C                  1.97553100    2.86278300    1.61504300
 C                  1.55170800    3.90262000    0.76073400
 C                  2.07745900    5.17733200    1.00361700
 C                  2.97180100    5.42811300    2.04115600
 C                  3.33170700    4.38944500    2.89089100
 C                  2.83554900    3.10019400    2.69325000
 C                  3.21189600    1.99905200    3.64238600
 C                  2.37793400    0.76775700    3.44305000
 C                  2.39705900   -0.25254500    4.39512300
 C                  1.68267600   -1.42852400    4.19924900
 C                  0.93760200   -1.57808600    3.03196900
 H                  1.76507200    6.00479100    0.38160200
 H                  3.35884100    6.43133600    2.19864300
 H                  4.00281800    4.56885700    3.72856800
 H                  3.10757400    2.35522200    4.67540700
 H                  4.27525100    1.74739500    3.52332700
 H                  3.00188400   -0.11890700    5.28994000
 H                  1.71432400   -2.22473900    4.93797900
 H                  0.38784900   -2.50367000    2.87382400
 P                  0.28794200    3.53901400   -0.54310100
 H                 -1.73081300   -0.61453700    1.40384900
 C                 -5.94507300   -2.70716400    0.76611000
 C                 -5.62780500   -3.41584500   -0.55867200
 H                 -6.01844000   -4.44192900   -0.52647400
 H                 -6.08075300   -2.90667700   -1.41414600
 H                 -4.54795300   -3.47400300   -0.73953300
 C                 -5.41615400   -3.58692100    1.91435500
 H                 -4.34026300   -3.76577700    1.82691800
 H                 -5.59972600   -3.13850700    2.89540800
 H                 -5.92460700   -4.56058100    1.89348500
 C                 -7.46230800   -2.58587500    0.93316100
 H                 -7.93891800   -2.00125500    0.14275300
 H                 -7.90507500   -3.59154200    0.89968800
 H                 -7.73507000   -2.14492800    1.89622100
 C                 -5.61799500    0.16840400    1.94702800
 C                 -5.72543900   -0.41446200    3.36042900
 H                 -4.78414900   -0.87852600    3.67800400
 H                 -5.95870900    0.39073500    4.07023300
 H                 -6.52136500   -1.16132100    3.44034300
 C                 -4.56964400    1.28902900    1.95976900
 H                 -4.89784000    2.09724400    2.62798200
 H                 -3.59963200    0.92461700    2.31156700
 H                 -4.42321100    1.71775400    0.96262500
 C                 -6.96092800    0.76205000    1.52046500
 H                 -6.88699000    1.25804700    0.54801400
 H                 -7.75488000    0.01337200    1.46418500
 H                 -7.26989200    1.51876600    2.25563600
 C                  4.86725900   -0.13565100   -1.93388900
 C                  6.38810100   -0.11714000   -2.10498100
 H                  6.63677600    0.46813600   -3.00181200
 H                  6.89394700    0.35707000   -1.25923000
 H                  6.81320700   -1.11499100   -2.24334300
 C                  4.23414700   -0.71368100   -3.20736800
 H                  4.36119100   -0.00327700   -4.03552100
 H                  4.70217400   -1.65847100   -3.49764200
 H                  3.16364900   -0.90680100   -3.08756400
 C                  4.38727900    1.31755200   -1.75365900
 H                  3.29737700    1.38291000   -1.68279700
 H                  4.80004200    1.77318500   -0.84748600
 H                  4.71234700    1.92412500   -2.61026600
 C                  5.33205700   -1.16037500    0.97771300
 C                  5.58939400    0.27786300    1.43964400
 H                  4.65199800    0.83468400    1.53759200
 H                  6.08735700    0.27042600    2.41874100
 H                  6.23575700    0.82419200    0.74550900
 C                  4.55855400   -1.90710000    2.07207700
 H                  5.14921000   -1.92036400    2.99839100
 H                  3.60171500   -1.42834900    2.28651500
 H                  4.36354600   -2.94631300    1.78316000
 C                  6.65731800   -1.88690900    0.74834200
 H                  7.27122700   -1.42100300   -0.02512400
 H                  7.23635600   -1.87392800    1.68292400
 H                  6.49633400   -2.93507300    0.47834200
 C                  0.58582700    4.84358200   -1.90683600
 C                 -0.18822200    4.31451700   -3.12646400
 H                  0.13533800    3.30541500   -3.38769000
 H                 -1.26807700    4.28459000   -2.95341500
 H                 -0.00711200    4.97260500   -3.98779700
 C                  0.16107100    6.30166500   -1.70209900
 H                  0.44069400    6.88001300   -2.59430100
 H                 -0.92364200    6.38985600   -1.58868500
 H                  0.62756900    6.78941200   -0.84354000
 C                  2.07938700    4.76488900   -2.25944700
 H                  2.39788000    3.72402800   -2.39401900
 H                  2.25817100    5.29477600   -3.20512100
 H                  2.72006700    5.21351200   -1.49593600
 C                 -1.27509600    3.99805700    0.44640600
 C                 -2.47723500    3.95199800   -0.50230300
 H                 -2.50277800    3.01219200   -1.06340800
 H                 -3.40663000    4.02001400    0.07888000
 H                 -2.47482500    4.78267700   -1.21498800
 C                 -1.43625400    2.87302200    1.47738400
 H                 -2.36363700    3.03302800    2.04094100
 H                 -1.49583300    1.89207900    0.99846400
 H                 -0.61087400    2.85766100    2.19548600
 C                 -1.24568500    5.32961200    1.19771900
 H                 -1.16390900    6.19033500    0.53091900
 H                 -2.17777700    5.44086700    1.77038300
 H                 -0.41354300    5.36795300    1.90772400
148
Si3P-active-C3
 Si                -0.00019400   -0.00081800    2.37089700
 C                  1.80096600   -0.06677800    2.61225300
 C                  2.71489300    0.78186000    1.95861500
 O                  2.19071800    1.64625000    1.04875500
 C                  3.01765200    2.25193300    0.11566900
 C                  2.39206500    2.95671300   -0.92799600
 C                  3.22895700    3.47853600   -1.92286200
 C                  4.61099700    3.31615900   -1.88305500
 C                  5.19445200    2.67830600   -0.79293900
 C                  4.40662700    2.16029100    0.23433700
 C                  5.03666100    1.58760600    1.47546000
 C                  4.07986400    0.71629700    2.23499300
 C                  4.51254700   -0.16580500    3.22733000
 C                  3.62584500   -0.98468200    3.92432900
 C                  2.27683600   -0.96048600    3.59322300
 H                  2.79174700    4.03108600   -2.74476300
 H                  5.23008600    3.71567100   -2.68143600
 H                  6.27617500    2.58903600   -0.72214300
 H                  5.37436900    2.41229900    2.12113200
 H                  5.93785500    1.01920800    1.21769400
 H                  5.57662300   -0.21507600    3.44681300
 H                  3.99023600   -1.66408800    4.68812700
 H                  1.58505200   -1.63388600    4.09279000
 C                 -0.84335900    1.59200600    2.61315300
 C                 -2.03484200    1.95987100    1.95902300
 O                 -2.52186700    1.07379300    1.04944100
 C                 -3.45928100    1.48744900    0.11588100
 C                 -3.75701600    0.59312900   -0.92762800
 C                 -4.62693600    1.05702600   -1.92282200
 C                 -5.17718700    2.33518100   -1.88318400
 C                 -4.91636100    3.15957400   -0.79323900
 C                 -4.07389300    2.73642100    0.23417300
 C                 -3.89217500    3.56912200    1.47475300
 C                 -2.65974000    3.17527600    2.23491500
 C                 -2.11179900    3.99080800    3.22733200
 C                 -0.95986700    3.63148900    3.92495200
 C                 -0.30714500    2.45051200    3.59442100
 H                 -4.88623900    0.40222800   -2.74506500
 H                 -5.83249100    2.67165600   -2.68171200
 H                 -5.37975700    4.14110500   -0.72272200
 H                 -3.84889600    4.63349800    1.21609300
 H                 -4.77550900    3.45116300    2.12036700
 H                 -2.60059100    4.93733600    3.44659200
 H                 -0.55364600    4.28638000    4.68904100
 H                  0.62119700    2.18687000    4.09472600
 C                 -0.95805800   -1.52754300    2.61144300
 C                 -0.67879100   -2.74371500    1.95896900
 O                  0.33300000   -2.72240400    1.05034500
 C                  0.44368500   -3.74079600    0.11652500
 C                  1.36600400   -3.55054900   -0.92774800
 C                  1.39938600   -4.53599400   -1.92281800
 C                  0.56860300   -5.65233200   -1.88250400
 C                 -0.27490900   -5.83933100   -0.79203300
 C                 -0.32959700   -4.89819800    0.23536000
 C                 -1.14044100   -5.15764100    1.47656100
 C                 -1.41809600   -3.89305800    2.23507400
 C                 -2.39999000   -3.82627900    3.22577900
 C                 -2.66742400   -2.64843600    3.92136500
 C                 -1.97175400   -1.49230900    3.59064000
 H                  2.09550400   -4.43285000   -2.74550300
 H                  0.60504900   -6.38816500   -2.68094300
 H                 -0.89261300   -6.73181100   -0.72108300
 H                 -0.59467700   -5.86158100    2.12282800
 H                 -2.08283200   -5.65476700    1.21899800
 H                 -2.97490100   -4.72307300    3.44505500
 H                 -3.43931900   -2.62397300    4.68382800
 H                 -2.21041400   -0.55615800    4.08891900
 P                  0.56623600    3.24310300   -0.85372200
 C                 -0.03834300    3.27756300   -2.65749900
 C                  0.58438500    5.01164200   -0.14961300
 P                 -3.09303300   -1.13151000   -0.85248900
 C                 -2.81865200   -1.67233700   -2.65577400
 C                 -4.63540200   -1.99921600   -0.15047400
 P                  2.52559500   -2.11139700   -0.85440300
 C                  2.85531400   -1.60440400   -2.65837400
 C                  4.04992100   -3.00963900   -0.15159500
 C                  0.18960200    4.51894500   -3.52330500
 H                  1.24358900    4.77960100   -3.64697100
 H                 -0.21622500    4.32518000   -4.52613300
 H                 -0.33396800    5.39411700   -3.12804900
 C                  0.57587100    2.05143200   -3.34097100
 H                  0.51407100    1.16728200   -2.69979500
 H                  0.02799800    1.82962700   -4.26604500
 H                  1.62839800    2.19961800   -3.59549400
 C                 -1.55556500    3.05172000   -2.54611600
 H                 -1.78614600    2.13605700   -1.99794200
 H                 -2.06296100    3.87637200   -2.03752200
 H                 -1.98923900    2.96233800   -3.55097100
 C                  1.47485300    6.04108900   -0.84649500
 H                  2.52118600    5.72097000   -0.86243300
 H                  1.16376700    6.25076000   -1.87117600
 H                  1.42822300    6.98634700   -0.28729900
 C                  1.08987300    4.84653100    1.28887300
 H                  0.98585100    5.79807200    1.82773800
 H                  0.52390500    4.08660000    1.82955100
 H                  2.14845700    4.56501000    1.31060000
 C                 -0.86563500    5.50630300   -0.11564600
 H                 -1.52760300    4.76469800    0.34221900
 H                 -0.92804000    6.42793900    0.47846100
 H                 -1.24548700    5.73326100   -1.11654900
 C                 -4.00712100   -2.09599000   -3.52213700
 H                 -4.75973700   -1.31346400   -3.64626200
 H                 -3.63598200   -2.35092000   -4.52471000
 H                 -4.50349700   -2.98681400   -3.12681600
 C                 -2.06446100   -0.52697600   -3.33904200
 H                 -1.26836300   -0.13791000   -2.69764900
 H                 -1.59800300   -0.89023800   -4.26402000
 H                 -2.71958700    0.31001000   -3.59364200
 C                 -1.86368600   -2.87271000   -2.54348200
 H                 -1.56780900   -3.20295400   -3.54804100
 H                 -0.95627300   -2.61438300   -1.99380900
 H                 -2.32450300   -3.72487500   -2.03586200
 C                 -5.97111900   -1.74336700   -0.84973400
 H                 -6.21555800   -0.67686700   -0.86949100
 H                 -5.99678500   -2.12102000   -1.87316400
 H                 -6.76775000   -2.25337800   -0.28964900
 C                 -4.74789900   -1.47719600    1.28722900
 H                 -5.51921200   -2.04411000    1.82600800
 H                 -3.80720500   -1.58454700    1.82911500
 H                 -5.03585100   -0.42030000    1.30721400
 C                 -4.33881700   -3.50231000   -0.11429000
 H                 -3.36573200   -3.70409400    0.34415300
 H                 -5.10603500   -4.01631800    0.48022900
 H                 -4.34499800   -3.94628300   -1.11451200
 C                  3.81578200   -2.42235900   -3.52492200
 H                  3.51457000   -3.46554000   -3.64817700
 H                  3.85025200   -1.97415400   -4.52781700
 H                  4.83569000   -2.40631300   -3.13025900
 C                  1.48562700   -1.52406100   -3.34032900
 H                  0.75202000   -1.02664300   -2.69922700
 H                  1.56667000   -0.94075800   -4.26679000
 H                  1.08667600   -2.50990400   -3.59231200
 C                  3.41736000   -0.17699600   -2.54812400
 H                  2.73864800    0.48110500   -2.00183500
 H                  4.38464100   -0.14862300   -2.03848500
 H                  3.55764100    0.24203700   -3.55336300
 C                  4.49822000   -4.29445500   -0.84921600
 H                  5.33958000   -4.72664300   -0.28906200
 H                  3.69845400   -5.04117300   -0.86720400
 H                  4.83704100   -4.12852000   -1.87314600
 C                  3.65498800   -3.36655800    1.28668800
 H                  4.53156400   -3.75196400    1.82487300
 H                  3.27936300   -2.49729100    1.82835500
 H                  2.88252800   -4.14322800    1.30793500
 C                  5.20191200   -1.99956800   -0.11726600
 H                  4.88907900   -1.05562900    0.33980200
 H                  6.03140100   -2.40487800    0.47766500
 H                  5.58886500   -1.78425800   -1.11803000
148
Si3P-active-C1
 Si                 0.10850300   -0.09703600   -2.35420700
 C                 -1.42252900    0.84483600   -2.65714700
 C                 -1.72637400    2.03946600   -1.98161200
 O                 -0.86348000    2.40567100   -0.99185700
 C                 -1.25156900    3.34991900   -0.05435700
 C                 -0.39291100    3.55962500    1.04052700
 C                 -0.85331200    4.42554800    2.04086700
 C                 -2.08748300    5.06378800    1.95370700
 C                 -2.85811300    4.90879800    0.80592100
 C                 -2.43562200    4.07249600   -0.22695700
 C                 -3.17717600    4.02864600   -1.53678500
 C                 -2.85097200    2.79081200   -2.31927300
 C                 -3.63342100    2.36237300   -3.39397000
 C                 -3.33068300    1.20607800   -4.11029900
 C                 -2.24464700    0.42937600   -3.72173400
 H                 -0.22709400    4.61874800    2.90231700
 H                 -2.42331600    5.71283900    2.75755200
 H                 -3.79251200    5.45379600    0.69230700
 H                 -2.90861000    4.91765600   -2.12743300
 H                 -4.25817600    4.09480900   -1.36901900
 H                 -4.50871400    2.94908100   -3.66324600
 H                 -3.95865000    0.89247700   -4.93807300
 H                 -2.03030100   -0.50047600   -4.24254900
 P                  1.31308900    2.84599100    0.98955900
 C                  1.65151900    0.81203100   -2.69590600
 C                  2.87874200    0.53786700   -2.06420400
 O                  2.88372300   -0.51574300   -1.20687400
 C                  3.88610400   -0.62821200   -0.26086900
 C                  3.69431100   -1.60126100    0.73274200
 C                  4.63214800   -1.62066700    1.77371800
 C                  5.72126000   -0.75214600    1.79486800
 C                  5.92162400    0.13150000    0.73752300
 C                  5.01384500    0.19233200   -0.31958300
 C                  5.27593500    1.03762100   -1.53904900
 C                  4.01406900    1.30955700   -2.30853900
 C                  3.92897900    2.31087200   -3.27722600
 C                  2.74684900    2.56180200   -3.97474300
 C                  1.60172800    1.84284300   -3.65791300
 H                  4.51193200   -2.32899600    2.58391600
 H                  6.42389400   -0.78191200    2.62294900
 H                  6.79547600    0.77886700    0.72079200
 H                  5.75364600    1.98255500   -1.25605800
 H                  5.99676700    0.51689700   -2.18724300
 H                  4.81152900    2.91302800   -3.48040700
 H                  2.71010300    3.34545400   -4.72471200
 H                  0.66147700    2.07787300   -4.14962700
 P                  2.33114900   -2.83105900    0.49361500
 C                  0.10344300   -1.90924700   -2.37762900
 C                 -0.91281700   -2.73268700   -1.84141700
 O                 -1.90198700   -2.12657900   -1.12209000
 C                 -2.64965100   -2.88250000   -0.22124600
 C                 -3.33865000   -2.20048900    0.79823100
 C                 -4.04056300   -2.99083900    1.71940100
 C                 -4.04391400   -4.38067000    1.65458600
 C                 -3.37281300   -5.01682800    0.61554900
 C                 -2.68958700   -4.27393000   -0.34569900
 C                 -2.02006700   -4.94471600   -1.51197900
 C                 -0.88232000   -4.11507700   -2.02700300
 C                  0.19253300   -4.67569300   -2.71711600
 C                  1.22437900   -3.89283400   -3.23237200
 C                  1.18220900   -2.51935500   -3.05555400
 H                 -4.60420700   -2.50490700    2.50574200
 H                 -4.58477400   -4.96041300    2.39731000
 H                 -3.38371600   -6.10123000    0.53305300
 H                 -2.75353700   -5.09555700   -2.31908900
 H                 -1.66694200   -5.94121000   -1.22746500
 H                  0.21721800   -5.75515800   -2.84707200
 H                  2.05570800   -4.35339700   -3.75637800
 H                  1.98664300   -1.90251900   -3.44499000
 P                 -3.36222100   -0.35365400    0.84476800
 C                  1.86519600    2.60396500    2.79584400
 C                  0.73683700    1.85380000    3.51488200
 H                  0.38737400    0.99815500    2.93262100
 H                  1.10783700    1.47144200    4.47491100
 H                 -0.12523600    2.49452600    3.71746600
 C                  3.08105600    1.66559500    2.69206300
 H                  2.86052600    0.77292100    2.10230200
 H                  3.94159000    2.15457200    2.22816600
 H                  3.38423100    1.34287500    3.69697700
 C                  2.28557600    3.81299100    3.63676900
 H                  3.16487400    4.31289600    3.22178500
 H                  1.49666200    4.55917400    3.75822300
 H                  2.55793300    3.46177700    4.64185600
 C                  2.21357300    4.35661800    0.25531500
 C                  3.71393000    4.04471100    0.25320300
 H                  3.91112200    3.04524800   -0.14667900
 H                  4.24089000    4.77205900   -0.37870400
 H                  4.14883300    4.10392300    1.25532100
 C                  1.72368800    4.42748800   -1.19539000
 H                  2.31832300    5.16596500   -1.74963800
 H                  1.82219800    3.46528800   -1.69878500
 H                  0.67440400    4.73627300   -1.25081300
 C                  1.95630900    5.71514900    0.90814500
 H                  2.30943700    5.76791200    1.93927500
 H                  2.48762000    6.48946200    0.33668500
 H                  0.89207800    5.96973100    0.89626500
 C                  1.05765900   -2.22161700    1.75026700
 C                  0.48494200   -0.96915200    1.07105000
 H                  1.23923500   -0.19211300    0.91779300
 H                  0.04152300   -1.22457800    0.10466800
 H                 -0.32053300   -0.53286300    1.66667000
 C                 -0.04097000   -3.28002900    1.87086900
 H                  0.28607100   -4.13669600    2.46783100
 H                 -0.92485900   -2.85399900    2.35807200
 H                 -0.35499900   -3.65028800    0.89132000
 C                  1.57331200   -1.85115600    3.13998000
 H                  1.98775800   -2.71380400    3.66735000
 H                  2.34134100   -1.07602900    3.09624600
 H                  0.74415700   -1.46102700    3.74578800
 C                  3.07314900   -4.49462300    1.03992000
 C                  2.13814100   -5.55137000    0.42256500
 H                  2.04930100   -5.41618800   -0.65996700
 H                  2.54455700   -6.55410700    0.61260100
 H                  1.13099000   -5.51497400    0.84814800
 C                  3.22710200   -4.80049800    2.53161000
 H                  3.66504900   -5.80182300    2.64790500
 H                  3.88606800   -4.09936100    3.04924400
 H                  2.26371800   -4.80691000    3.04885800
 C                  4.43460600   -4.61563500    0.34015100
 H                  4.78982900   -5.65217600    0.41385200
 H                  4.36163800   -4.36142300   -0.72485000
 H                  5.19073400   -3.96609200    0.78990500
 C                 -3.52360900    0.14605100    2.68498700
 C                 -2.53722700   -0.67295200    3.52624800
 H                 -2.49160700   -0.24620200    4.53698100
 H                 -2.82601600   -1.72319200    3.61827000
 H                 -1.52582400   -0.63821800    3.11583600
 C                 -3.03937400    1.60661000    2.69403300
 H                 -3.68326600    2.26389400    2.10284700
 H                 -3.02951900    1.98701700    3.72431500
 H                 -2.02747300    1.69408300    2.29130900
 C                 -4.89870900    0.09619100    3.35782900
 H                 -4.79303500    0.44872600    4.39324200
 H                 -5.62229200    0.75235900    2.86791500
 H                 -5.32561100   -0.90922200    3.40209700
 C                 -5.03992800   -0.07692900   -0.01682600
 C                 -4.78413400   -0.50131400   -1.46720700
 H                 -4.66246900   -1.58655900   -1.55141200
 H                 -5.63710700   -0.20994200   -2.09438100
 H                 -3.88881200   -0.02834800   -1.86989300
 C                 -6.24513800   -0.86682900    0.49507600
 H                 -7.10353400   -0.66244400   -0.16050000
 H                 -6.05982900   -1.94498600    0.46499400
 H                 -6.53758300   -0.59641800    1.51051900
 C                 -5.33580700    1.42575900    0.01408800
 H                 -6.16263800    1.65415300   -0.67172100
 H                 -5.62823200    1.77136500    1.00995200
 H                 -4.46456900    2.00526100   -0.30287900
148
Si3P-quench
 Si                -0.18498500   -0.90417000   -1.11665100
 C                 -0.34283000    0.93484700   -1.43453900
 C                  0.69476500    1.88091700   -1.62915800
 O                  1.94216000    1.65081000   -1.07711300
 C                  2.82932300    2.71919000   -0.93012300
 C                  3.91057500    2.60917800   -0.03083200
 C                  4.73105000    3.73949300    0.11484100
 C                  4.52023400    4.92547400   -0.57526200
 C                  3.48499900    4.98147700   -1.49915600
 C                  2.65901100    3.87867500   -1.69936900
 C                  1.62557800    3.89721700   -2.77785400
 C                  0.47468200    3.01474600   -2.41964100
 C                 -0.79096200    3.27011100   -2.94286900
 C                 -1.84053100    2.39672700   -2.71385500
 C                 -1.60542800    1.24413500   -1.97475800
 H                  5.57681600    3.67935100    0.78450600
 H                  5.17484000    5.77786900   -0.41684600
 H                  3.31749100    5.87628900   -2.09430900
 H                  2.07431800    3.54182000   -3.71950800
 H                  1.28247000    4.91924900   -2.96788600
 H                 -0.93374700    4.15843900   -3.55396100
 H                 -2.82030600    2.59323200   -3.13320400
 H                 -2.42036700    0.54870000   -1.82200500
 C                  1.26682200   -1.41666600   -2.20872400
 C                  1.91458600   -2.57850800   -1.83984200
 O                  1.34649800   -3.26398100   -0.77689800
 C                  2.23286100   -3.15939000    0.27281700
 C                  1.80356300   -2.44126500    1.37791300
 C                  2.69406500   -2.37159500    2.45873600
 C                  3.95343400   -2.95861700    2.34665500
 C                  4.38948600   -3.54730500    1.15062300
 C                  3.52661000   -3.62725900    0.06132900
 C                  3.84629500   -4.02173900   -1.37561800
 C                  3.15975500   -3.00735200   -2.28066900
 C                  3.67850100   -2.31861200   -3.37647500
 C                  2.98446800   -1.21878400   -3.90427500
 C                  1.82238200   -0.73098800   -3.30162200
 H                  2.42478300   -1.86870700    3.37874100
 H                  4.63377300   -2.90710800    3.19103400
 H                  5.40920800   -3.91433100    1.06909300
 H                  4.92573900   -4.03706100   -1.54602300
 H                  3.46547800   -5.03270700   -1.57847200
 H                  4.64455900   -2.59661500   -3.78976100
 H                  3.40467400   -0.68869700   -4.75440800
 H                  1.36688300    0.18479600   -3.66764800
 C                 -1.68879900   -1.89148700   -1.69300600
 C                 -2.99154400   -1.94762700   -1.14730000
 O                 -3.40825800   -0.89399900   -0.36212100
 C                 -4.67940100   -0.89564000    0.20716900
 C                 -5.15115700    0.30891300    0.76866900
 C                 -6.36755700    0.26005900    1.46216600
 C                 -7.11415300   -0.90919200    1.56929800
 C                 -6.66953700   -2.05164600    0.91658000
 C                 -5.45841300   -2.05558500    0.22315800
 C                 -5.03354200   -3.28432900   -0.52261800
 C                 -3.82079200   -3.05088200   -1.37227700
 C                 -3.44404200   -4.00306900   -2.32000100
 C                 -2.24398200   -3.88749800   -3.00756000
 C                 -1.36746900   -2.86554700   -2.65756700
 H                 -6.75620900    1.17008400    1.90252800
 H                 -8.05222400   -0.91364200    2.11717800
 H                 -7.26395700   -2.96256500    0.93210700
 H                 -5.86618700   -3.64411600   -1.13947000
 H                 -4.81201400   -4.09666900    0.18557500
 H                 -4.10533400   -4.84750300   -2.50134700
 H                 -1.96390600   -4.61274400   -3.76562600
 H                 -0.39359300   -2.83868500   -3.13281900
 P                  4.35139400    1.04103300    0.84517500
 C                  5.03680700    1.60455500    2.54609300
 C                  5.79076800    0.47396900   -0.26036300
 P                  0.12166700   -1.73486400    1.18968000
 C                 -0.08500400   -0.24042700    2.29376500
 C                 -0.96674300   -3.19841200    1.75531500
 P                 -4.30942300    1.90362200    0.38607200
 C                 -4.51762100    3.00207600    1.94099900
 C                 -5.48913000    2.51030000   -0.99127400
 C                  6.48007500    2.11119300    2.65836800
 H                  6.67017700    3.03462100    2.10664200
 H                  6.69237200    2.32456200    3.71526900
 H                  7.20694700    1.36464500    2.32849200
 C                  4.08301500    2.66039900    3.12159900
 H                  4.17417200    3.62543600    2.61655000
 H                  3.03760700    2.34467700    3.05087400
 H                  4.31382000    2.81244200    4.18457700
 C                  4.92821000    0.34736700    3.42664900
 H                  3.89573000   -0.00639000    3.49018300
 H                  5.54007700   -0.47612800    3.04727000
 H                  5.26964300    0.57960600    4.44439200
 C                  6.83723300    1.51081600   -0.66791900
 H                  6.39012000    2.33591900   -1.22981500
 H                  7.37645200    1.92889300    0.18508800
 H                  7.57713700    1.02819700   -1.32199100
 C                  5.08104400   -0.02704800   -1.52186100
 H                  4.58336200    0.78538500   -2.06177500
 H                  5.80957300   -0.48409500   -2.20474300
 H                  4.32504000   -0.77805000   -1.27911500
 C                  6.47121400   -0.72069600    0.41456500
 H                  5.73666000   -1.46613000    0.73079900
 H                  7.15420100   -1.20214800   -0.29854400
 H                  7.06225300   -0.42889500    1.28764100
 C                 -0.12538000   -0.53030700    3.79770400
 H                  0.76561100   -1.04565200    4.16173800
 H                 -0.17509200    0.43515300    4.31535100
 H                 -1.00589700   -1.10262100    4.09535400
 C                  1.09367900    0.68069900    1.98523000
 H                  2.04160400    0.26516800    2.32599000
 H                  1.20261300    0.89339800    0.91995500
 H                  0.92628000    1.63566100    2.49690800
 C                 -1.37856100    0.46843200    1.88323900
 H                 -1.39367500    0.76325200    0.83274100
 H                 -2.27318900   -0.12142100    2.08244600
 H                 -1.44066200    1.39089000    2.46918100
 C                 -0.31375400   -3.82141500    2.99986800
 H                  0.64807500   -4.28477500    2.76968300
 H                 -0.17266500   -3.11305600    3.81776500
 H                 -0.98789700   -4.60851900    3.35888000
 C                 -1.02592100   -4.28072600    0.67170600
 H                 -0.04330100   -4.70944000    0.46740600
 H                 -1.66866600   -5.08512800    1.04897800
 H                 -1.44716700   -3.92310100   -0.26613400
 C                 -2.38128500   -2.73909500    2.11088100
 H                 -2.85334700   -2.18295900    1.30720500
 H                 -2.98914600   -3.62961800    2.30655500
 H                 -2.40657800   -2.12479300    3.01298200
 C                 -5.80803100    3.80636000    2.12227600
 H                 -6.69651300    3.17595100    2.21321000
 H                 -5.72821900    4.38986000    3.05005500
 H                 -5.97258800    4.51727900    1.30845200
 C                 -4.30616000    2.14672100    3.19758600
 H                 -3.43464700    1.49480500    3.11736100
 H                 -4.14729100    2.81101000    4.05765800
 H                 -5.17119600    1.51641700    3.41927600
 C                 -3.34875400    3.99900300    1.82850100
 H                 -2.38405900    3.48313900    1.78341100
 H                 -3.43173300    4.62386900    0.93246300
 H                 -3.34292400    4.66508200    2.70198200
 C                 -6.98759600    2.59318600   -0.69045900
 H                 -7.51316800    2.88083600   -1.61198400
 H                 -7.39011700    1.62579200   -0.37598900
 H                 -7.23372500    3.33529100    0.06922200
 C                 -5.32661900    1.49480700   -2.13408300
 H                 -5.78509300    0.53436600   -1.87592100
 H                 -5.83120100    1.87404400   -3.03245500
 H                 -4.28317200    1.30562600   -2.39005100
 C                 -4.97681700    3.88575900   -1.43842300
 H                 -3.89754400    3.88068500   -1.61972900
 H                 -5.47828100    4.18448800   -2.36879800
 H                 -5.18739900    4.65810300   -0.69180300
148
Si3P-dead
 Si                -0.48584700   -0.92486500   -0.40886200
 C                  0.42656000   -0.00355200   -1.77639200
 C                  0.09205700    1.35348100   -1.95429700
 O                 -0.73806300    1.94571600   -1.02027300
 C                 -1.54493600    2.99888300   -1.44199500
 C                 -2.72712800    3.26875200   -0.73175200
 C                 -3.55052800    4.28427700   -1.24059700
 C                 -3.22307600    5.00623400   -2.38345400
 C                 -2.00808000    4.76331300   -3.01733800
 C                 -1.15043000    3.77667300   -2.53642500
 C                  0.20977300    3.54827600   -3.12231500
 C                  0.55087700    2.09258300   -3.04900000
 C                  1.31342100    1.46131000   -4.02810400
 C                  1.63988100    0.11891100   -3.89931800
 C                  1.20548200   -0.58504700   -2.78309700
 H                 -4.46545400    4.52904400   -0.71801300
 H                 -3.89388000    5.77706100   -2.75289000
 H                 -1.70598900    5.35046700   -3.88151000
 H                  0.95263500    4.12770200   -2.55249200
 H                  0.25854300    3.90653100   -4.15517000
 H                  1.65370800    2.03716800   -4.88549700
 H                  2.23698400   -0.38139800   -4.65564800
 H                  1.48393500   -1.62026100   -2.71672400
 P                 -3.04312000    2.39179600    0.85666600
 C                 -2.24809300   -0.97233000   -1.07635000
 C                 -3.08557400   -1.94655200   -0.56595000
 O                 -2.53862300   -2.75418100    0.42835700
 C                 -2.43639300   -4.02045100   -0.11185500
 C                 -1.16020300   -4.51696400   -0.32683900
 C                 -1.07764200   -5.81299300   -0.86449900
 C                 -2.23913000   -6.48879500   -1.23161300
 C                 -3.49803200   -5.87919200   -1.13845200
 C                 -3.61008000   -4.60903300   -0.58331900
 C                 -4.81771000   -3.68762500   -0.60771700
 C                 -4.30336500   -2.34877800   -1.10777800
 C                 -4.78293700   -1.59667900   -2.17774300
 C                 -4.02108200   -0.53046900   -2.67606300
 C                 -2.75728500   -0.23941900   -2.16324500
 H                 -0.12293300   -6.29937000   -1.01250200
 H                 -2.15776700   -7.48908500   -1.64657500
 H                 -4.37852500   -6.38724700   -1.52306500
 H                 -5.60588300   -4.08242400   -1.25312300
 H                 -5.23318000   -3.58088600    0.40400900
 H                 -5.72563200   -1.86055800   -2.65050500
 H                 -4.40201000    0.05217800   -3.51006100
 H                 -2.16437800    0.53606600   -2.63471700
 P                  0.21833400   -3.36299300    0.04614800
 C                 -0.42676200   -0.29792100    1.33915300
 C                  0.73979500   -0.01628800    2.07167100
 O                  1.91091000    0.06451000    1.35963800
 C                  3.09766900    0.38147200    2.00179900
 C                  4.19875200    0.70344300    1.18548800
 C                  5.42312200    0.93098100    1.82618800
 C                  5.55533300    0.87218300    3.21059200
 C                  4.42968700    0.62760200    3.98798600
 C                  3.18846000    0.38756800    3.39660500
 C                  1.97861900    0.17119800    4.25859700
 C                  0.70925400    0.12290200    3.46144100
 C                 -0.52938400    0.11312000    4.10721900
 C                 -1.71012800   -0.06408000    3.39816000
 C                 -1.64818100   -0.28776600    2.02726500
 H                  6.28928100    1.19061000    1.23105300
 H                  6.51994800    1.05313200    3.67667500
 H                  4.49987600    0.62535300    5.07371300
 H                  1.92095400    0.96470600    5.01448800
 H                  2.08291800   -0.76954500    4.81943800
 H                 -0.55253000    0.22971200    5.18867300
 H                 -2.66837200   -0.06731400    3.90827200
 H                 -2.56269100   -0.48215000    1.48588700
 P                  3.93338500    0.96288100   -0.62302600
 C                 -4.93351100    2.32019800    1.06458800
 C                 -5.49283300    1.74552100   -0.24316400
 H                 -6.54558700    1.46721400   -0.09794600
 H                 -5.44350800    2.45811000   -1.07123400
 H                 -4.94698400    0.84539400   -0.54427000
 C                 -5.15006900    1.25431200    2.15628100
 H                 -4.70100500    0.29730800    1.86958300
 H                 -4.72779300    1.55212700    3.12037900
 H                 -6.22684900    1.09115200    2.29972600
 C                 -5.71632800    3.57461200    1.46473900
 H                 -5.64876400    4.38241000    0.73229200
 H                 -6.78006000    3.31422500    1.55874800
 H                 -5.39361800    3.97116400    2.43105500
 C                 -2.30680900    3.69209200    2.04452900
 C                 -2.71754200    3.35944600    3.48259300
 H                 -2.49586200    2.31929500    3.73405300
 H                 -2.15001300    3.99702600    4.17421400
 H                 -3.77963900    3.54414400    3.66690900
 C                 -0.78677200    3.50684600    1.92093900
 H                 -0.27799500    4.17859800    2.62610200
 H                 -0.48547200    2.47991600    2.14664900
 H                 -0.42834400    3.75034500    0.91607900
 C                 -2.64984700    5.15100100    1.73929400
 H                 -2.28374100    5.45373500    0.75392500
 H                 -3.72499500    5.34519300    1.77667500
 H                 -2.16860700    5.79753300    2.48693500
 C                  1.64569600   -3.79615800   -1.09375400
 C                  2.39122900   -5.11456900   -0.83738600
 H                  3.15243500   -5.20473800   -1.62239100
 H                  2.91522400   -5.12146400    0.11984600
 H                  1.76043500   -6.00201200   -0.90015800
 C                  1.03166600   -3.87960500   -2.50800300
 H                  1.81875700   -3.73144900   -3.25615700
 H                  0.59555900   -4.86638400   -2.67784200
 H                  0.23741900   -3.15129000   -2.69781800
 C                  2.69891300   -2.68052000   -0.93395000
 H                  2.30933200   -1.66828500   -0.81155300
 H                  3.32943300   -2.87886700   -0.06583700
 H                  3.34700300   -2.67848800   -1.81697100
 C                  0.63375500   -3.80275100    1.84809800
 C                  1.98469800   -3.20763600    2.25595700
 H                  2.08216900   -2.15649700    1.98501800
 H                  2.07978400   -3.28338000    3.34521000
 H                  2.82266900   -3.75470700    1.81782200
 C                 -0.46605700   -3.30231200    2.78606800
 H                 -0.27572000   -3.73425700    3.77594700
 H                 -0.46320800   -2.22265700    2.88773400
 H                 -1.46200400   -3.62268700    2.47055700
 C                  0.66673700   -5.33421800    1.98165600
 H                  1.35533700   -5.82849000    1.29777100
 H                  0.99966600   -5.56030900    3.00210500
 H                 -0.32715800   -5.76963700    1.85176800
 C                  5.56193300    0.42020900   -1.45984500
 C                  5.15109200    0.16535800   -2.92152900
 H                  4.35096300   -0.57870400   -2.98242000
 H                  4.79111600    1.07453000   -3.41372000
 H                  6.01503800   -0.20633100   -3.48944400
 C                  6.77097200    1.36033700   -1.46243200
 H                  7.59135000    0.87801300   -2.01234800
 H                  6.55797900    2.30684500   -1.96608300
 H                  7.14555500    1.58634600   -0.46097500
 C                  5.97490300   -0.92544200   -0.84853400
 H                  5.12940200   -1.61603400   -0.78115900
 H                  6.73770600   -1.39307700   -1.48563000
 H                  6.39584900   -0.81634700    0.15439300
 C                  3.82201700    2.86865500   -0.61065700
 C                  3.80567900    3.34969300   -2.06510400
 H                  3.08160700    2.79115600   -2.66446700
 H                  3.52995900    4.41252600   -2.09678300
 H                  4.78609200    3.25357100   -2.54125500
 C                  2.46108900    3.17059500    0.03377500
 H                  2.25841600    4.24860900   -0.02465300
 H                  1.64565900    2.64107500   -0.46150400
 H                  2.44631600    2.89005800    1.09247600
 C                  4.89126700    3.63205800    0.17237700
 H                  5.89830500    3.47627400   -0.21972200
 H                  4.67514800    4.70808400    0.10972600
 H                  4.88802800    3.35741500    1.23123900
153
Si3P-CH4
 Si                 0.00000000    0.00000000    2.06181200
 C                  1.76157000   -0.26431400    2.54320100
 C                  2.82187700    0.42316700    1.93513900
 O                  2.46745300    1.39774700    1.04179100
 C                  3.38604700    1.84771400    0.11390000
 C                  2.88922900    2.65363000   -0.92587200
 C                  3.80072800    3.04019500   -1.91654700
 C                  5.13640100    2.64728300   -1.87285400
 C                  5.60203000    1.90824300   -0.78839100
 C                  4.73812000    1.51945600    0.23541700
 C                  5.25069600    0.83947500    1.47821300
 C                  4.15375900    0.13475600    2.22564100
 C                  4.41533100   -0.80845400    3.22216900
 C                  3.38445400   -1.45575400    3.89939100
 C                  2.06233200   -1.20431700    3.53862600
 H                  3.46399500    3.66598300   -2.73450700
 H                  5.81750400    2.94530100   -2.66502400
 H                  6.65377400    1.63920900   -0.71985700
 H                  5.71756000    1.59261100    2.13082200
 H                  6.04591900    0.12929500    1.22273700
 H                  5.45079600   -1.03804700    3.46371000
 H                  3.61104900   -2.18294300    4.67317500
 H                  1.25715300   -1.75436900    4.01914100
 C                 -0.65188200    1.65772100    2.54320100
 C                 -1.77741200    2.23223400    1.93513900
 O                 -2.44421100    1.43800400    1.04179100
 C                 -3.29319100    2.00854600    0.11390000
 C                 -3.74272600    1.17533100   -0.92587200
 C                 -4.53325000    1.77142900   -1.91654700
 C                 -4.86081500    3.12461200   -1.87285400
 C                 -4.45360200    3.89737900   -0.78839100
 C                 -3.68494800    3.34360400    0.23541700
 C                 -3.35235500    4.12749900    1.47821300
 C                 -2.19358100    3.52988300    2.22564100
 C                 -1.50752400    4.22801500    3.22216900
 C                 -0.43150700    3.65890000    3.89939100
 C                  0.01180300    2.38819000    3.53862600
 H                 -4.90683200    1.16691600   -2.73450700
 H                 -5.45945800    3.56545600   -2.66502400
 H                 -4.74648400    4.94273300   -0.71985700
 H                 -3.13493200    5.17127200    1.22273700
 H                 -4.23802200    4.15524700    2.13082200
 H                 -1.82642300    5.23955200    3.46371000
 H                  0.08495900    4.21873200    4.67317500
 H                  0.89075200    1.96591100    4.01914100
 C                 -1.10968800   -1.39340700    2.54320100
 C                 -1.04446500   -2.65540000    1.93513900
 O                 -0.02324200   -2.83575000    1.04179100
 C                 -0.09285600   -3.85625900    0.11390000
 C                  0.85349600   -3.82896100   -0.92587200
 C                  0.73252200   -4.81162500   -1.91654700
 C                 -0.27558600   -5.77189500   -1.87285400
 C                 -1.14842800   -5.80562200   -0.78839100
 C                 -1.05317300   -4.86306000    0.23541700
 C                 -1.89834100   -4.96697400    1.47821300
 C                 -1.96017700   -3.66463800    2.22564100
 C                 -2.90780700   -3.41956200    3.22216900
 C                 -2.95294700   -2.20314700    3.89939100
 C                 -2.07413500   -1.18387300    3.53862600
 H                  1.44283700   -4.83289900   -2.73450700
 H                 -0.35804700   -6.51075700   -2.66502400
 H                 -1.90729000   -6.58194200   -0.71985700
 H                 -1.47953800   -5.74785800    2.13082200
 H                 -2.91098600   -5.30056700    1.22273700
 H                 -3.62437300   -4.20150400    3.46371000
 H                 -3.69600900   -2.03578900    4.67317500
 H                 -2.14790500   -0.21154200    4.01914100
 P                  1.13170500    3.20941800   -0.83335400
 C                  0.49349000    3.30154000   -2.62011000
 C                  1.37390900    4.94869500   -0.11693900
 P                 -3.34529000   -0.62462400   -0.83335400
 C                 -3.10596300   -1.22339500   -2.62011000
 C                 -4.97265000   -1.28450700   -0.11693900
 P                  2.21358500   -2.58479500   -0.83335400
 C                  2.61247300   -2.07814500   -2.62011000
 C                  3.59874100   -3.66418800   -0.11693900
 C                  0.86408400    4.50815100   -3.48508300
 H                  1.94206700    4.62291900   -3.62466500
 H                  0.41775900    4.37906100   -4.48082000
 H                  0.47114200    5.44198100   -3.07394300
 C                  0.94056900    2.01738300   -3.32862400
 H                  2.00690800    2.02021400   -3.56731600
 H                  0.74874300    1.12832200   -2.72083200
 H                  0.37921100    1.90040100   -4.26435100
 C                 -1.03784700    3.26003100   -2.47551900
 H                 -1.36925700    2.37917100   -1.91946500
 H                 -1.43040900    4.13881100   -1.95645400
 H                 -1.50210600    3.22394100   -3.46955800
 C                  2.39105800    5.84897900   -0.81888900
 H                  3.38361800    5.38857600   -0.84200000
 H                  2.10379200    6.09969000   -1.84147400
 H                  2.47697500    6.79063800   -0.25892300
 C                  1.85786000    4.70666200    1.31905900
 H                  2.86138200    4.26752300    1.33508300
 H                  1.90410300    5.66486600    1.85372200
 H                  1.18439200    4.04409400    1.86628500
 C                  0.00000000    5.62625300   -0.07096600
 H                 -0.74636600    4.97745400    0.39851800
 H                  0.06571600    6.54822600    0.52176100
 H                 -0.35863100    5.90076300   -1.06774200
 C                 -4.33621500   -1.50575700   -3.48508300
 H                 -4.97459900   -0.62958000   -3.62466500
 H                 -4.00125800   -1.82774100   -4.48082000
 H                 -4.94846500   -2.31297000   -3.07394300
 C                 -2.21738900   -0.19413400   -3.32862400
 H                 -2.75301100    0.72792600   -3.56731600
 H                 -1.35152700    0.08426900   -2.72083200
 H                 -1.83540100   -0.62179400   -4.26435100
 C                 -2.30434600   -2.52881700   -2.47551900
 H                 -1.37579400   -2.37539700   -1.91946500
 H                 -2.86911100   -3.30817600   -1.95645400
 H                 -2.04096200   -2.91283200   -3.46955800
 C                 -6.26089400   -0.85377300   -0.81888900
 H                 -6.35845300    0.23601100   -0.84200000
 H                 -6.33438300   -1.22790800   -1.84147400
 H                 -7.11935200   -1.25019600   -0.25892300
 C                 -5.00501800   -0.74437700    1.31905900
 H                 -5.12647400    0.34426800    1.33508300
 H                 -5.85797000   -1.18343100    1.85372200
 H                 -4.09448400   -0.99633300    1.86628500
 C                 -4.87247800   -2.81312700   -0.07096600
 H                 -3.93741900   -3.13509900    0.39851800
 H                 -5.70378800   -3.21720100    0.52176100
 H                 -4.93089500   -3.26096500   -1.06774200
 C                  3.47213100   -3.00239400   -3.48508300
 H                  3.03253200   -3.99333900   -3.62466500
 H                  3.58349900   -2.55132000   -4.48082000
 H                  4.47732300   -3.12901100   -3.07394300
 C                  1.27682000   -1.82324800   -3.32862400
 H                  0.60278500   -1.21259100   -2.72083200
 H                  1.45619000   -1.27860600   -4.26435100
 H                  0.74610300   -2.74814000   -3.56731600
 C                  3.34219300   -0.73121300   -2.47551900
 H                  2.74505100   -0.00377400   -1.91946500
 H                  4.29952000   -0.83063500   -1.95645400
 H                  3.54306700   -0.31110900   -3.46955800
 C                  3.86983600   -4.99520700   -0.81888900
 H                  4.64237700   -5.54044200   -0.25892300
 H                  2.97483500   -5.62458700   -0.84200000
 H                  4.23059000   -4.87178200   -1.84147400
 C                  3.14715900   -3.96228400    1.31905900
 H                  2.26509300   -4.61179100    1.33508300
 H                  3.95386700   -4.48143500    1.85372200
 H                  2.91009200   -3.04776100    1.86628500
 C                  4.87247800   -2.81312700   -0.07096600
 H                  4.68378500   -1.84235500    0.39851800
 H                  5.63807200   -3.33102500    0.52176100
 H                  5.28952600   -2.63979800   -1.06774200
 C                  0.00000000    0.00000000   -0.01946800
 H                 -1.07009000   -0.27964600    0.13113700
 H                  0.29286400    1.06654800    0.13113700
 H                  0.77722500   -0.78690200    0.13113700
 H                  0.00000000    0.00000000   -1.11552200
153
Si3P-CH4-2.5A
 Si                -0.04781400    0.10098800    2.21810500
 C                  0.64014600    1.79159300    2.40283000
 C                  0.14632900    2.95787600    1.77045400
 O                 -0.96639400    2.81728000    0.99282200
 C                 -1.22811900    3.72835100    0.00307800
 C                 -2.16419100    3.34411400   -0.96386100
 C                 -2.37176000    4.23519700   -2.02188500
 C                 -1.67968500    5.44426000   -2.10637600
 C                 -0.80552700    5.80934500   -1.08177400
 C                 -0.59036600    4.96139700    0.00202900
 C                  0.24545100    5.38084800    1.18433400
 C                  0.77210100    4.19411500    1.93276200
 C                  1.86339900    4.28252200    2.80238100
 C                  2.33664600    3.16384400    3.49487200
 C                  1.74785300    1.91855200    3.27289800
 H                 -3.08857300    3.98553600   -2.79461000
 H                 -1.84448700    6.10998600   -2.94923300
 H                 -0.29406800    6.76867000   -1.11056300
 H                 -0.36910100    5.99911200    1.85709700
 H                  1.07261000    6.01489600    0.86392400
 H                  2.35258800    5.25146500    2.93458300
 H                  3.18292500    3.25525300    4.16839300
 H                  2.15418500    1.03607500    3.76672000
 C                 -1.82893700   -0.12929000    2.56006200
 C                 -2.60146000   -1.11450400    1.94393600
 O                 -1.94857500   -1.95133700    1.08869800
 C                 -2.68958800   -2.69337800    0.16596000
 C                 -1.99436800   -3.34169300   -0.85552700
 C                 -2.75629100   -4.01854800   -1.82059400
 C                 -4.14552300   -4.05358200   -1.78108700
 C                 -4.80454200   -3.44789800   -0.71652100
 C                 -4.08209100   -2.78405100    0.27797700
 C                 -4.79237800   -2.23830100    1.47875300
 C                 -3.97181300   -1.21677000    2.19061800
 C                 -4.54703400   -0.35519000    3.11476900
 C                 -3.79658400    0.60717500    3.77630800
 C                 -2.44444000    0.73538500    3.47618100
 H                 -2.25418300   -4.54240200   -2.62203400
 H                 -4.70343500   -4.57236200   -2.55558900
 H                 -5.88939200   -3.49605700   -0.63816100
 H                 -5.75436200   -1.80269500    1.18269600
 H                 -5.03176700   -3.06415600    2.16610000
 H                 -5.61371700   -0.44042500    3.30555200
 H                 -4.26755800    1.27462600    4.49134800
 H                 -1.86631200    1.51964500    3.94904000
 C                  1.09499700   -1.27589200    2.67258400
 C                  2.34322200   -1.53358100    2.06444000
 O                  2.78268900   -0.63146000    1.13699400
 C                  3.77798800   -0.97436400    0.22856700
 C                  4.05158500   -0.08238200   -0.83352200
 C                  4.96472600   -0.49649800   -1.80319900
 C                  5.60714200   -1.72895300   -1.72596500
 C                  5.39485800   -2.53864700   -0.61127500
 C                  4.49989400   -2.15766800    0.39397700
 C                  4.38544400   -2.93739000    1.67721100
 C                  3.10158800   -2.65458600    2.40426100
 C                  2.64055300   -3.48126600    3.43063000
 C                  1.45073600   -3.21606900    4.10515700
 C                  0.66605400   -2.13462300    3.70740300
 H                  5.18384200    0.17382200   -2.62796800
 H                  6.30042300   -2.03520900   -2.50436400
 H                  5.93855900   -3.47288000   -0.50065400
 H                  5.23653000   -2.66912400    2.31957700
 H                  4.48191900   -4.01134400    1.48461900
 H                  3.23286000   -4.35311700    3.70189000
 H                  1.11649200   -3.87147000    4.90276400
 H                 -0.29370700   -1.96537700    4.18936200
 P                 -3.10234100    1.76864200   -0.71979100
 C                 -3.29185700    0.98638400   -2.44779400
 C                 -4.73621000    2.48989400   -0.09154900
 P                 -0.15409800   -3.37782400   -0.86080600
 C                  0.34914100   -3.39950600   -2.69811300
 C                  0.11996200   -5.09343400   -0.12447900
 P                  3.35323000    1.62269800   -0.80041100
 C                  2.97568300    2.09612700   -2.61402800
 C                  4.91240100    2.48641500   -0.11430100
 C                 -4.39420800    1.48029300   -3.38549900
 H                 -4.29310200    2.53824000   -3.63945300
 H                 -4.33914000    0.91136300   -4.32440500
 H                 -5.39270000    1.31847600   -2.96910700
 C                 -1.93942700    1.11976100   -3.15080700
 H                 -1.75836000    2.14085500   -3.50658200
 H                 -1.10952700    0.85232600   -2.49378300
 H                 -1.90919600    0.44477200   -4.01554600
 C                 -3.55089700   -0.50692400   -2.16151400
 H                 -2.74685200   -0.95047900   -1.56721700
 H                 -4.49145700   -0.66590000   -1.61512300
 H                 -3.61475700   -1.06145000   -3.10504000
 C                 -5.38190200    3.60128900   -0.91923100
 H                 -4.70677000    4.45423900   -1.03578300
 H                 -5.69377400    3.27262400   -1.91011500
 H                 -6.27739200    3.95851400   -0.39223700
 C                 -4.38141400    3.05949200    1.28919800
 H                 -3.71452700    3.92718600    1.20472700
 H                 -5.29655100    3.38959700    1.79588900
 H                 -3.89322600    2.30565400    1.91781100
 C                 -5.71449400    1.32182800    0.09442100
 H                 -5.25610300    0.51487300    0.67142000
 H                 -6.60297900    1.66489100    0.64224500
 H                 -6.05316600    0.91654400   -0.86627000
 C                  0.27634500   -4.72241900   -3.46971800
 H                 -0.72839900   -5.14647600   -3.53263000
 H                  0.61735000   -4.54440600   -4.49911700
 H                  0.93797400   -5.47926100   -3.03199400
 C                 -0.47808500   -2.33620800   -3.43242600
 H                 -1.53067200   -2.62248400   -3.54455800
 H                 -0.45426300   -1.36550400   -2.92216500
 H                 -0.05453800   -2.18276000   -4.43372100
 C                  1.81079900   -2.94218800   -2.69188400
 H                  1.92948700   -1.97645900   -2.20083100
 H                  2.46654000   -3.65074800   -2.17925600
 H                  2.16815000   -2.84468000   -3.72515200
 C                 -0.65800500   -6.25440900   -0.73334500
 H                 -1.73849300   -6.08084100   -0.68838700
 H                 -0.37874900   -6.44641800   -1.77295700
 H                 -0.44565300   -7.16534600   -0.15591600
 C                 -0.30805100   -4.93822300    1.33811900
 H                 -1.39104800   -4.78902800    1.42676400
 H                 -0.04812100   -5.84920100    1.89322500
 H                  0.19401100   -4.09402200    1.81474700
 C                  1.61587700   -5.37408500   -0.17895700
 H                  2.18153700   -4.53240900    0.21276200
 H                  1.85188500   -6.25709500    0.43104700
 H                  1.95372400   -5.57446700   -1.20031000
 C                  4.10631300    2.56012200   -3.52491800
 H                  4.88095100    1.79814600   -3.64947300
 H                  3.69269400    2.77837800   -4.51981700
 H                  4.57633500    3.47152400   -3.17060200
 C                  2.28021700    0.90389400   -3.26915300
 H                  1.49710300    0.49046800   -2.63489700
 H                  1.80749900    1.22928200   -4.20622800
 H                  2.97735700    0.09521300   -3.50111200
 C                  1.95694200    3.24684800   -2.48837400
 H                  1.07425500    2.93796000   -1.92273600
 H                  2.37260100    4.12384000   -1.98869800
 H                  1.62822900    3.55881000   -3.48712700
 C                  6.23714300    2.24149800   -0.83870200
 H                  7.04429900    2.73101600   -0.27541400
 H                  6.46549500    1.16938800   -0.88135600
 H                  6.26286800    2.63679600   -1.84493300
 C                  5.05261800    1.93369200    1.30803500
 H                  5.33879800    0.87214500    1.29300000
 H                  5.83815000    2.48531100    1.84241500
 H                  4.12555400    2.03182800    1.87427600
 C                  4.61218900    3.99501400   -0.03776900
 H                  3.66179400    4.18928100    0.46893000
 H                  5.40566700    4.49858100    0.52944100
 H                  4.57173700    4.46169000   -1.02161100
 C                 -0.17868500    0.13269900   -0.27826000
 H                  0.26585900   -0.67696300    0.37291900
 H                 -1.07341500    0.62867300    0.05437100
 H                  0.61197600    0.84268400   -0.52313100
 H                 -0.48388700   -0.49347800   -1.10892900
153
Si3P-CH4-3.0A
 Si                -0.00613200   -0.00425500    2.35861400
 C                 -0.38314400    1.76524300    2.54884100
 C                 -1.43152300    2.46033200    1.90916900
 O                 -2.22846500    1.74519900    1.06696300
 C                 -3.01945600    2.40482500    0.13601900
 C                 -3.63619900    1.62349600   -0.85834000
 C                 -4.35811300    2.30848300   -1.84546600
 C                 -4.47044900    3.69564400   -1.84793800
 C                 -3.90619900    4.42628700   -0.80731300
 C                 -3.19638200    3.78893800    0.20935800
 C                 -2.69855900    4.56351200    1.39744900
 C                 -1.62219500    3.82455000    2.13510600
 C                 -0.79939100    4.47235900    3.05731100
 C                  0.21633500    3.80250400    3.73521800
 C                  0.44366700    2.46269800    3.45406600
 H                 -4.85159300    1.74114100   -2.62574300
 H                 -5.02176100    4.19846300   -2.63757500
 H                 -4.02494900    5.50677300   -0.76647400
 H                 -3.54093600    4.76233400    2.07714700
 H                 -2.32758700    5.54570100    1.08222700
 H                 -0.95732800    5.53388300    3.23450000
 H                  0.84675500    4.32986400    4.44385100
 H                  1.26778800    1.94447800    3.93793600
 C                 -1.34285800   -1.22255500    2.55197900
 C                 -1.41112400   -2.47524400    1.90558100
 O                 -0.39710300   -2.79024000    1.05122000
 C                 -0.56569900   -3.80739600    0.12101200
 C                  0.41545900   -3.93897200   -0.87939400
 C                  0.19417400   -4.91587400   -1.85966100
 C                 -0.93856900   -5.72444200   -1.85331700
 C                 -1.85139800   -5.60847900   -0.81033700
 C                 -1.66354600   -4.66788500    0.20171300
 C                 -2.58164000   -4.63378300    1.39152700
 C                 -2.48608000   -3.33536300    2.13561200
 C                 -3.45569700   -2.96142600    3.06692700
 C                 -3.39326800   -1.74856000    3.74867700
 C                 -2.35803200   -0.86882400    3.46453800
 H                  0.93272500   -5.05449600   -2.64033400
 H                 -1.08956200   -6.46080000   -2.63771000
 H                 -2.71809900   -6.26401900   -0.76240700
 H                 -3.61731900   -4.80676200    1.07619500
 H                 -2.32856600   -5.46494900    2.06684800
 H                 -4.28717800   -3.63917600    3.24701100
 H                 -4.16398500   -1.47799300    4.46318900
 H                 -2.32881600    0.10247700    3.95243300
 C                  1.71622800   -0.54709600    2.58276400
 C                  2.83831700    0.01377900    1.93699100
 O                  2.60768900    1.03987800    1.06988100
 C                  3.56803300    1.37453000    0.12467700
 C                  3.19425300    2.27513600   -0.89019000
 C                  4.14084100    2.52478400   -1.89337100
 C                  5.39592800    1.92330200   -1.89015500
 C                  5.75621400    1.10462800   -0.82469500
 C                  4.85761200    0.84269000    0.20856000
 C                  5.29123800    0.07947400    1.42935500
 C                  4.12025200   -0.48162900    2.17980500
 C                  4.27822200   -1.49345200    3.12784100
 C                  3.19387700   -2.03372000    3.81525900
 C                  1.91463000   -1.58482700    3.51650800
 H                  3.89391100    3.21728100   -2.68933100
 H                  6.09989500    2.12305200   -2.69316700
 H                  6.75259700    0.67106800   -0.77648100
 H                  5.86298700    0.75086200    2.08794600
 H                  5.97924400   -0.72710700    1.15103000
 H                  5.27996500   -1.87226000    3.31734200
 H                  3.34231400   -2.82379000    4.54433300
 H                  1.05686200   -2.03839900    4.00729700
 P                 -3.57978600   -0.21802800   -0.74903800
 C                 -3.42355200   -0.83620600   -2.55032400
 C                 -5.32931200   -0.54796500   -0.08049800
 P                  1.96639800   -2.94242900   -0.78850300
 C                  2.43102400   -2.53420900   -2.59820600
 C                  3.14228500   -4.26271300   -0.08632000
 P                  1.58868500    3.18034800   -0.77120000
 C                  0.96781300    3.39146900   -2.56590100
 C                  2.22734600    4.84119700   -0.09420000
 C                 -4.69669700   -1.02028100   -3.37938300
 H                 -5.24420700   -0.08590200   -3.53061000
 H                 -4.41748000   -1.39857800   -4.37277100
 H                 -5.37945800   -1.75037900   -2.93603100
 C                 -2.47533900    0.09436100   -3.31935200
 H                 -2.96819500    1.01774200   -3.63392300
 H                 -1.60205000    0.37903200   -2.73044200
 H                 -2.11858600   -0.42139400   -4.22074600
 C                 -2.74286000   -2.20861100   -2.39610000
 H                 -1.77755000   -2.12623000   -1.88920800
 H                 -3.35546800   -2.90766800   -1.81737800
 H                 -2.56986700   -2.65385200   -3.38491000
 C                 -6.52188200    0.04283300   -0.83325400
 H                 -6.43858600    1.12993700   -0.92690900
 H                 -6.65262600   -0.38219600   -1.82943400
 H                 -7.43808500   -0.16699200   -0.26327000
 C                 -5.31430900    0.06621000    1.32682500
 H                 -5.28744300    1.16068400    1.28215100
 H                 -6.22752700   -0.22521100    1.86319900
 H                 -4.45493800   -0.27380300    1.90854800
 C                 -5.47630200   -2.06951300    0.03863100
 H                 -4.63263900   -2.50509800    0.58301300
 H                 -6.39622600   -2.31158100    0.58769800
 H                 -5.53883000   -2.55580100   -0.94003000
 C                  3.24840800   -3.55331700   -3.39607700
 H                  2.72384900   -4.50248000   -3.53674700
 H                  3.44638400   -3.13968700   -4.39487200
 H                  4.21778100   -3.76189900   -2.93541700
 C                  1.15917600   -2.21102600   -3.39410600
 H                  0.60751600   -3.11043700   -3.67872700
 H                  0.47019200   -1.57151700   -2.84015500
 H                  1.43851100   -1.68104800   -4.31434100
 C                  3.26037400   -1.24406600   -2.46444600
 H                  2.68950300   -0.44585000   -1.98186900
 H                  4.16830400   -1.39840400   -1.87254300
 H                  3.56441500   -0.89019700   -3.45854500
 C                  3.24012400   -5.60747200   -0.80750700
 H                  2.26127000   -6.08952000   -0.89182500
 H                  3.67388300   -5.52755400   -1.80521500
 H                  3.88510800   -6.27685700   -0.22078100
 C                  2.60556000   -4.52780500    1.32742600
 H                  1.64992000   -5.06275600    1.29598800
 H                  3.32106000   -5.15205500    1.87964700
 H                  2.46086700   -3.60145500    1.88688200
 C                  4.52661300   -3.61256400    0.01932000
 H                  4.47103700   -2.65188800    0.54039200
 H                  5.20202900   -4.26743700    0.58618000
 H                  4.97927100   -3.44195400   -0.96240700
 C                  1.48871900    4.56888500   -3.39378700
 H                  2.57015600    4.53457300   -3.55146600
 H                  1.01366000    4.53875900   -4.38435900
 H                  1.23824800    5.53407100   -2.94529600
 C                  1.22977200    2.09601700   -3.34549500
 H                  0.95492600    1.20818800   -2.77455900
 H                  0.62599300    2.10255500   -4.26274800
 H                  2.27825200    1.98811100   -3.63410200
 C                 -0.55431900    3.55323400   -2.39901200
 H                 -1.00170600    2.68589800   -1.90507300
 H                 -0.81180600    4.43623900   -1.80538600
 H                 -1.02760200    3.66214800   -3.38397200
 C                  3.35258000    5.54804400   -0.85078600
 H                  3.66590100    6.43016900   -0.27459800
 H                  4.22905700    4.90208300   -0.96057100
 H                  3.05155400    5.89445100   -1.84033900
 C                  2.75074300    4.50210600    1.30901700
 H                  3.67105500    3.90998300    1.25781600
 H                  2.98050600    5.43145000    1.84763700
 H                  2.01618000    3.94367000    1.89267400
 C                  1.01142400    5.76624500    0.03659900
 H                  0.19875600    5.27566300    0.58173800
 H                  1.29310600    6.67179800    0.59069700
 H                  0.62634100    6.08323800   -0.93771100
 C                 -0.02059800   -0.00810300   -0.64134900
 H                  0.80457800   -0.61155400   -0.24495500
 H                 -0.99338600   -0.36054600   -0.28098200
 H                  0.12088900    1.05405000   -0.42336100
 H                 -0.00902500   -0.14637500   -1.72014700
153
Si3P-CH4-3.5A
 Si                -0.10011000    0.07808000    2.26883200
 C                  0.37147900    1.83025400    2.31037100
 C                 -0.26739700    2.87232400    1.60069000
 O                 -1.36967800    2.54769400    0.87313200
 C                 -1.78404500    3.37697600   -0.16133700
 C                 -2.78197600    2.88441400   -1.02201600
 C                 -3.11858600    3.68779700   -2.11982400
 C                 -2.50608600    4.91719600   -2.35081800
 C                 -1.58395200    5.40411400   -1.42966800
 C                 -1.23319000    4.65170300   -0.30905300
 C                 -0.35808700    5.23570300    0.76550300
 C                  0.23878900    4.17197700    1.63810600
 C                  1.30363900    4.44805000    2.49506500
 C                  1.90355000    3.45684900    3.26997100
 C                  1.47125100    2.14627700    3.13792000
 H                 -3.89127000    3.35404000   -2.80169900
 H                 -2.77762700    5.50699500   -3.22185300
 H                 -1.13860700    6.38763300   -1.56082700
 H                 -0.95650300    5.92727600    1.37770000
 H                  0.44197000    5.83855500    0.32017000
 H                  1.67611300    5.46870400    2.54392700
 H                  2.73154700    3.69988100    3.92779300
 H                  1.97890500    1.35287500    3.68148700
 C                 -1.83714600   -0.41807300    2.45107400
 C                 -2.41261000   -1.53952500    1.82123000
 O                 -1.63265500   -2.19050000    0.91462700
 C                 -2.19876500   -3.11450300    0.04733400
 C                 -1.38284200   -3.60231000   -0.99064200
 C                 -1.98612300   -4.46293700   -1.91701100
 C                 -3.32365700   -4.83446600   -1.81762300
 C                 -4.07837200   -4.38131000   -0.74156900
 C                 -3.52282000   -3.52974000    0.21259200
 C                 -4.33337400   -3.09961200    1.40371000
 C                 -3.71648500   -1.93379300    2.11632600
 C                 -4.42252500   -1.21817300    3.08520400
 C                 -3.87353200   -0.11636800    3.73702200
 C                 -2.59284800    0.30059000    3.39866700
 H                 -1.38999700   -4.86395800   -2.72719300
 H                 -3.76444900   -5.49394900   -2.55998400
 H                 -5.11570700   -4.68903300   -0.62907300
 H                 -5.35215700   -2.84309700    1.08918800
 H                 -4.43573100   -3.94540000    2.09971700
 H                 -5.43692900   -1.53173000    3.32165300
 H                 -4.45031600    0.42785300    4.47789300
 H                 -2.16751600    1.17964300    3.87722500
 C                  1.15859400   -1.18955800    2.61969800
 C                  2.44074600   -1.28610700    2.03666600
 O                  2.77979600   -0.34294200    1.11449000
 C                  3.83684000   -0.57617500    0.24435900
 C                  4.06623400    0.37196300   -0.77021500
 C                  5.03415600    0.04411300   -1.72915600
 C                  5.75751200   -1.14436000   -1.67308800
 C                  5.59482900   -1.98807700   -0.57885100
 C                  4.65906300   -1.69317700    0.41179900
 C                  4.62204100   -2.47318900    1.69614300
 C                  3.30613100   -2.32130100    2.39864000
 C                  2.91883700   -3.19936100    3.41169200
 C                  1.68270100   -3.09373600    4.04458700
 C                  0.79229800   -2.11846200    3.61899100
 H                  5.24971600    0.74814700   -2.52371900
 H                  6.48466100   -1.37819400   -2.44560900
 H                  6.21473000   -2.87510200   -0.46918300
 H                  5.43263400   -2.11500800    2.34921500
 H                  4.82857500   -3.53333500    1.51239500
 H                  3.60406000   -3.99491800    3.69545800
 H                  1.39951600   -3.79357600    4.82415100
 H                 -0.20031200   -2.06743100    4.05961300
 P                 -3.68392200    1.33548400   -0.57184500
 C                 -4.26102100    0.54058000   -2.21037600
 C                 -5.17987700    2.13700900    0.30264500
 P                  0.42421400   -3.20960900   -1.00244800
 C                  0.91817700   -3.08028600   -2.83989100
 C                  1.08383700   -4.83909000   -0.27266300
 P                  3.30152100    2.04743500   -0.61492700
 C                  3.10727600    2.72859600   -2.38993400
 C                  4.77250600    2.92434500    0.23766100
 C                 -5.50994500    1.08522900   -2.90738900
 H                 -5.40921800    2.12874400   -3.21725500
 H                 -5.69217800    0.49233000   -3.81443000
 H                 -6.40322800    1.00006900   -2.28329800
 C                 -3.09195600    0.53885300   -3.20117000
 H                 -2.82588400    1.53769400   -3.55613800
 H                 -2.20327000    0.08745500   -2.75768600
 H                 -3.36763800   -0.06820300   -4.07380300
 C                 -4.51224300   -0.92629900   -1.81804800
 H                 -3.59351800   -1.37783200   -1.43347500
 H                 -5.28478500   -1.03175100   -1.04976200
 H                 -4.83416000   -1.49906200   -2.69794300
 C                 -5.92028100    3.24912700   -0.44314600
 H                 -5.24290800    4.06097500   -0.72562800
 H                 -6.42981900    2.89833000   -1.34160000
 H                 -6.68400700    3.67419600    0.22336200
 C                 -4.60878200    2.74894400    1.59052900
 H                 -3.96290600    3.60648600    1.37394600
 H                 -5.43683800    3.10608800    2.21763000
 H                 -4.03505200    2.02187100    2.16788700
 C                 -6.15115300    1.01246000    0.67916000
 H                 -5.63762100    0.20584300    1.21175500
 H                 -6.93401000    1.40885300    1.33969900
 H                 -6.64767500    0.58383800   -0.19663800
 C                  1.16962100   -4.35801800   -3.64451600
 H                  0.29539000   -5.01135200   -3.70363000
 H                  1.43560200   -4.07861600   -4.67361000
 H                  2.00396200   -4.93973500   -3.24378700
 C                 -0.15277200   -2.24189900   -3.54953500
 H                 -1.06333900   -2.81442200   -3.74650000
 H                 -0.43326800   -1.36489400   -2.96175900
 H                  0.24024900   -1.88852900   -4.51213700
 C                  2.22846500   -2.27064800   -2.81617100
 H                  2.08980000   -1.28927700   -2.35746000
 H                  3.02365800   -2.78081200   -2.26410600
 H                  2.58288000   -2.11376000   -3.84368800
 C                  0.61391300   -6.15580400   -0.89259200
 H                 -0.47606100   -6.24697700   -0.86318200
 H                  0.94288100   -6.28388200   -1.92510400
 H                  1.02901500   -6.98918800   -0.30796600
 C                  0.60861200   -4.80804500    1.18481200
 H                 -0.47565400   -4.94889900    1.25409200
 H                  1.08912700   -5.61852200    1.74907300
 H                  0.85901100   -3.86337600    1.66887000
 C                  2.61290300   -4.75745400   -0.30226500
 H                  2.96530100   -3.79869100    0.08801200
 H                  3.04097000   -5.55666000    0.31771800
 H                  3.01129300   -4.87487400   -1.31471400
 C                  4.31366200    3.36950700   -3.08076500
 H                  5.15079900    2.67839700   -3.20651000
 H                  4.00820500    3.69820900   -4.08381700
 H                  4.67655100    4.25292000   -2.54880700
 C                  2.56967700    1.60934200   -3.29045600
 H                  1.75795100    1.05758000   -2.81602000
 H                  2.17750900    2.05072500   -4.21668900
 H                  3.34322400    0.88839600   -3.56589000
 C                  2.00826100    3.79974500   -2.24803400
 H                  1.07794700    3.37328900   -1.86148400
 H                  2.30798700    4.60877500   -1.57349400
 H                  1.79515000    4.24451000   -3.22941000
 C                  6.15228200    2.81504600   -0.41387000
 H                  6.89399000    3.27370600    0.25542000
 H                  6.44689900    1.77158900   -0.56137100
 H                  6.21602900    3.33055500   -1.37301000
 C                  4.86920800    2.27697900    1.62736600
 H                  5.25089400    1.25248200    1.56242100
 H                  5.56692800    2.85308400    2.24980700
 H                  3.90211900    2.25077800    2.13263400
 C                  4.38458900    4.39933400    0.39862400
 H                  3.39624900    4.50631400    0.85632500
 H                  5.11427300    4.90477900    1.04566300
 H                  4.37461100    4.92851100   -0.55916400
 C                 -0.06169800    0.55386400   -1.19846600
 H                  0.66314600   -0.24705200   -1.03672000
 H                 -1.02429900    0.27477100   -0.75677300
 H                  0.31710300    1.46734400   -0.74075900
 H                 -0.20523300    0.72881300   -2.26486700
153
Si3P-CH4-4.0A
 Si                 0.02981400   -0.02380800    2.12559100
 C                  1.73936400    0.39211700    2.64487400
 C                  2.41018600    1.45045300    2.01840600
 O                  1.72656200    2.03657200    0.99721500
 C                  2.40359000    2.81057100    0.07561200
 C                  1.69064000    3.17472400   -1.07793700
 C                  2.40109900    3.88328100   -2.05499300
 C                  3.74165500    4.22081600   -1.88189700
 C                  4.38520700    3.90882200   -0.68678600
 C                  3.71726200    3.21621800    0.32293600
 C                  4.34718000    2.98924000    1.67518000
 C                  3.67258000    1.87366100    2.42320400
 C                  4.23757300    1.24326700    3.53432600
 C                  3.57666400    0.21659700    4.20945800
 C                  2.33950900   -0.23042800    3.75174000
 H                  1.89657600    4.18570400   -2.96469900
 H                  4.27277200    4.75484100   -2.66481000
 H                  5.41625600    4.21435100   -0.52330000
 H                  4.27528600    3.91734700    2.26237200
 H                  5.41837600    2.78297900    1.57070700
 H                  5.22163700    1.56175500    3.87025100
 H                  4.04136700   -0.25733700    5.06835700
 H                  1.84107900   -1.05543000    4.25344100
 C                 -1.19497400    1.27758600    2.51096000
 C                 -2.46967000    1.49770500    1.93537800
 O                 -2.92621200    0.58144400    1.03522700
 C                 -4.00020700    0.89224000    0.20665800
 C                 -4.39308800   -0.06981600   -0.74361800
 C                 -5.34424000    0.33355500   -1.69013100
 C                 -5.91242300    1.60425900   -1.67431600
 C                 -5.61274500    2.46619600   -0.62530300
 C                 -4.68070000    2.10402000    0.34671400
 C                 -4.50171000    2.93762000    1.58215000
 C                 -3.21852200    2.62357300    2.29065100
 C                 -2.74735000    3.46294900    3.30022800
 C                 -1.53347600    3.23086100    3.93922200
 C                 -0.74801600    2.17034300    3.51445800
 H                 -5.67577200   -0.37407900   -2.43895800
 H                 -6.63213200    1.89099500   -2.43584700
 H                 -6.11698800    3.42580100   -0.53673100
 H                 -4.53275700    4.00483600    1.33411800
 H                 -5.35240600    2.75767100    2.25634100
 H                 -3.34775900    4.32753400    3.57391000
 H                 -1.18322300    3.89412700    4.72347700
 H                  0.23064900    2.02482900    3.96254800
 C                 -0.44949100   -1.75940100    1.94000700
 C                  0.38198800   -2.82396500    1.51167600
 O                  1.58327200   -2.51593200    0.94657200
 C                  2.18838700   -3.44303800    0.09920800
 C                  3.15850500   -2.97605500   -0.80595100
 C                  3.71279500   -3.92424000   -1.67752200
 C                  3.32459600   -5.26032600   -1.66736600
 C                  2.38923000   -5.69122500   -0.73250100
 C                  1.82929100   -4.79144800    0.17301700
 C                  0.89489300   -5.25424800    1.25321800
 C                 -0.02758500   -4.14906600    1.67014700
 C                 -1.26619900   -4.41083000    2.25647200
 C                 -2.10106900   -3.38625700    2.69317000
 C                 -1.70273600   -2.07113200    2.51474100
 H                  4.47391100   -3.60935900   -2.37963600
 H                  3.76716700   -5.96246100   -2.36836900
 H                  2.09606200   -6.73733800   -0.68529500
 H                  1.48022300   -5.58629800    2.12476200
 H                  0.32058500   -6.12433400    0.91870900
 H                 -1.57330900   -5.44713200    2.37701400
 H                 -3.05366200   -3.61504100    3.15864400
 H                 -2.35038900   -1.26302800    2.83873000
 P                 -0.12622100    2.83182000   -1.10633300
 C                 -0.58792900    2.46796300   -2.90938600
 C                 -0.74472000    4.56195800   -0.61473600
 P                 -3.86736700   -1.82498800   -0.50805300
 C                 -3.92940900   -2.65047400   -2.23184200
 C                 -5.38731200   -2.40599600    0.50482100
 P                  3.71544900   -1.21494800   -0.75722100
 C                  4.20459400   -0.75467300   -2.54414900
 C                  5.29130100   -1.44905200    0.28630800
 C                 -0.70276500    3.61649600   -3.91381500
 H                  0.22925600    4.17397200   -4.03794000
 H                 -0.96523100    3.19996700   -4.89635300
 H                 -1.49088400    4.32443800   -3.64231800
 C                  0.44278000    1.45017900   -3.40948900
 H                  1.40188500    1.91966200   -3.64455200
 H                  0.62626700    0.67271700   -2.66230500
 H                  0.07129800    0.95980500   -4.31890400
 C                 -1.95377700    1.76708500   -2.81338000
 H                 -1.91495500    0.90033900   -2.14874500
 H                 -2.73868400    2.43068100   -2.43846100
 H                 -2.25942300    1.41676600   -3.80810100
 C                 -0.15887000    5.75835700   -1.36479200
 H                  0.92537100    5.82250400   -1.23407000
 H                 -0.37504500    5.73720200   -2.43469900
 H                 -0.59563200    6.68085000   -0.95659200
 C                 -0.36924000    4.69268600    0.86647400
 H                  0.71607700    4.75879200    1.00097900
 H                 -0.81376100    5.60737400    1.28126700
 H                 -0.73158700    3.84399800    1.44851100
 C                 -2.27023900    4.55849300   -0.74342900
 H                 -2.70705900    3.66691000   -0.28636100
 H                 -2.68693400    5.43941500   -0.23694200
 H                 -2.59628800    4.59317800   -1.78724100
 C                 -5.27631300   -3.08062700   -2.82234400
 H                 -5.97288500   -2.25133500   -2.96756100
 H                 -5.09517000   -3.52779800   -3.80959900
 H                 -5.77252200   -3.84025700   -2.21260200
 C                 -3.22657700   -1.72133700   -3.23035300
 H                 -3.82955800   -0.84718400   -3.48684800
 H                 -2.27038100   -1.36387200   -2.84570800
 H                 -3.02794100   -2.27606200   -4.15728300
 C                 -3.06561800   -3.91620000   -2.07100700
 H                 -2.05025100   -3.66963400   -1.75027200
 H                 -3.48975200   -4.61521600   -1.34328100
 H                 -2.99858600   -4.43856400   -3.03507400
 C                 -6.77334500   -2.08454200   -0.05877700
 H                 -6.91229700   -1.00754500   -0.19235600
 H                 -6.97406100   -2.57668400   -1.01073300
 H                 -7.53361100   -2.42883500    0.65642300
 C                 -5.28191500   -1.70348100    1.86602100
 H                 -5.42915800   -0.62240900    1.77490100
 H                 -6.06545700   -2.08859500    2.53192000
 H                 -4.31810200   -1.87727600    2.34543500
 C                 -5.24514100   -3.91834400    0.71713400
 H                 -4.24716300   -4.18371200    1.08171900
 H                 -5.97890200   -4.25560800    1.46151500
 H                 -5.43160000   -4.48078800   -0.20239700
 C                  5.55461700   -1.21423300   -3.10292700
 H                  5.66440100   -2.30056800   -3.14940700
 H                  5.65313200   -0.83542500   -4.12980200
 H                  6.39442900   -0.81123700   -2.53059000
 C                  3.08440800   -1.21895800   -3.48310300
 H                  2.10543100   -0.87557400   -3.14258900
 H                  3.25470000   -0.79070000   -4.47998700
 H                  3.04289800   -2.30655400   -3.58648800
 C                  4.19765100    0.78360300   -2.53410300
 H                  3.23798400    1.17847000   -2.19240100
 H                  4.97355900    1.19772500   -1.88441700
 H                  4.37877300    1.15970100   -3.55010400
 C                  6.27158800   -2.54266500   -0.13949000
 H                  7.07921200   -2.60080600    0.60403500
 H                  5.78754600   -3.52343600   -0.17485900
 H                  6.73280500   -2.35171800   -1.10952900
 C                  4.76357500   -1.80639700    1.68035300
 H                  4.33184100   -2.81296900    1.69851800
 H                  5.58772200   -1.78242400    2.40569700
 H                  3.99833100   -1.10415500    2.01146300
 C                  6.00520400   -0.09546100    0.35384300
 H                  5.30640100    0.70752000    0.60360500
 H                  6.78114000   -0.12413300    1.13045500
 H                  6.49348100    0.16022400   -0.59141500
 C                 -0.06257000   -1.60485000   -1.54752400
 H                 -0.27703200   -2.59605900   -1.14482900
 H                 -0.84173200   -0.91434700   -1.21734500
 H                  0.90495200   -1.26504200   -1.17413800
 H                 -0.04290200   -1.65060100   -2.63805300
153
Si3P-CH4-4.5A
 Si                -0.00742600   -0.06583300    2.06471900
 C                  1.23597700   -1.35409900    2.45138800
 C                  2.51266900   -1.56863700    1.87571400
 O                  2.98124200   -0.63411600    0.99950500
 C                  4.07021100   -0.92386800    0.18219700
 C                  4.48772400    0.06504500   -0.73006200
 C                  5.44571800   -0.31738300   -1.67800500
 C                  6.00303700   -1.59260700   -1.69553400
 C                  5.68331300   -2.48353300   -0.67746600
 C                  4.73953800   -2.14505300    0.29191600
 C                  4.53144500   -3.02288700    1.49098600
 C                  3.25267800   -2.70766600    2.20681200
 C                  2.77532400   -3.56658800    3.19694000
 C                  1.56375700   -3.33912700    3.84064300
 C                  0.78657000   -2.26389100    3.43820700
 H                  5.79360600    0.41092000   -2.39886300
 H                  6.73007500   -1.86145700   -2.45663100
 H                  6.17848600   -3.44975400   -0.61253600
 H                  5.38307600   -2.89510200    2.17552700
 H                  4.53536400   -4.07928600    1.19795700
 H                  3.36956600   -4.44139200    3.45100100
 H                  1.20848400   -4.01526400    4.61158600
 H                 -0.19006100   -2.12172200    3.89113800
 C                  0.43905000    1.67531600    1.84233900
 C                 -0.42687000    2.73602400    1.47159400
 O                 -1.63177500    2.41943500    0.92039400
 C                 -2.31531900    3.38045200    0.17738200
 C                 -3.31651500    2.93773600   -0.70565500
 C                 -3.94534300    3.91602200   -1.48808700
 C                 -3.60063600    5.26192500   -1.41389400
 C                 -2.63131700    5.66622300   -0.50272000
 C                 -1.99432100    4.73314200    0.31422000
 C                 -1.00726500    5.16664800    1.35770700
 C                 -0.04701000    4.06274400    1.68284400
 C                  1.20062400    4.33115900    2.24745600
 C                  2.07360200    3.31245700    2.61374700
 C                  1.70201100    1.99622200    2.39171300
 H                 -4.73001700    3.61713500   -2.17103100
 H                 -4.10063000    5.98949100   -2.04703900
 H                 -2.36668500    6.71666300   -0.40630600
 H                 -0.46400900    6.05699100    1.02417900
 H                 -1.54558900    5.45898200    2.27263000
 H                  1.48280100    5.36906900    2.40844200
 H                  3.03301900    3.54575200    3.06221100
 H                  2.37875700    1.19319900    2.66266100
 C                 -1.69477800   -0.48784000    2.66785700
 C                 -2.37059800   -1.54218000    2.04443500
 O                 -1.69541500   -2.10761400    1.00608500
 C                 -2.38974200   -2.82359900    0.05418600
 C                 -1.69865900   -3.10349600   -1.13383000
 C                 -2.42010300   -3.76748400   -2.13399800
 C                 -3.75017800   -4.13843400   -1.94461100
 C                 -4.37271500   -3.90192000   -0.72016700
 C                 -3.69223300   -3.25592000    0.31208100
 C                 -4.28432100   -3.10186000    1.69369100
 C                 -3.61914400   -1.99099800    2.46083500
 C                 -4.16640200   -1.38701700    3.59532900
 C                 -3.49806900   -0.36581800    4.27362600
 C                 -2.27488600    0.10584200    3.79991000
 H                 -1.93620000   -4.00436400   -3.07426300
 H                 -4.29259100   -4.63642800   -2.74335800
 H                 -5.39576800   -4.23159300   -0.55373800
 H                 -4.16033800   -4.04806800    2.24211700
 H                 -5.36443800   -2.92883400    1.63238300
 H                 -5.13953500   -1.72000800    3.94838600
 H                 -3.94846200    0.08643500    5.15174600
 H                 -1.77618600    0.92679600    4.30773500
 P                  3.98638000    1.81904100   -0.44312600
 C                  4.09497200    2.70796900   -2.13107000
 C                  5.49491100    2.33687800    0.61992500
 P                 -3.80709300    1.15826100   -0.74233700
 C                 -4.33627300    0.78689700   -2.53651200
 C                 -5.35376900    1.27497400    0.36168800
 P                  0.10699100   -2.70707100   -1.15916900
 C                  0.52866200   -2.16249100   -2.92068300
 C                  0.78869700   -4.44935300   -0.82365200
 C                  5.45760100    3.11191900   -2.70352600
 H                  6.12079900    2.26384300   -2.89082400
 H                  5.29304900    3.61160000   -3.66827400
 H                  5.98510700    3.82145400   -2.06087600
 C                  3.36708400    1.83308000   -3.15922300
 H                  3.94731700    0.95113300   -3.44125000
 H                  2.40041000    1.48900900   -2.78863400
 H                  3.18511400    2.42187100   -4.06830800
 C                  3.27254200    3.99543300   -1.92945200
 H                  2.26058800    3.77692100   -1.57874200
 H                  3.73958700    4.67180700   -1.20686200
 H                  3.19526100    4.53188100   -2.88487300
 C                  6.87930500    1.96993500    0.08001900
 H                  6.99521800    0.88678200   -0.02068400
 H                  7.09821500    2.42734300   -0.88536300
 H                  7.64051500    2.31942700    0.79166400
 C                  5.33450200    1.62464200    1.97018000
 H                  5.40927700    0.53740200    1.86635900
 H                  6.13867400    1.94704400    2.64479100
 H                  4.38313500    1.85846800    2.44982600
 C                  5.40607100    3.85101100    0.84835100
 H                  4.40610500    4.15508900    1.17498800
 H                  6.12123300    4.14654600    1.62761300
 H                  5.65449700    4.41762400   -0.05341000
 C                 -5.71244900    1.23605700   -3.03566100
 H                 -5.85609400    2.31922800   -3.01566300
 H                 -5.82568600    0.91452000   -4.08047800
 H                 -6.52442800    0.77393900   -2.46781500
 C                 -3.25224500    1.34306200   -3.46832200
 H                 -3.26665200    2.43515900   -3.52224600
 H                 -2.25215600    1.03710800   -3.15267200
 H                 -3.41401200    0.95112200   -4.48136400
 C                 -4.28883900   -0.74858400   -2.61293500
 H                 -3.32156100   -1.13798600   -2.28880900
 H                 -5.05410300   -1.21709400   -1.98815800
 H                 -4.45986200   -1.07303900   -3.64842200
 C                 -6.38958700    2.34951400    0.02937700
 H                 -5.94707400    3.35029200    0.03640400
 H                 -6.87367800    2.19411700   -0.93603000
 H                 -7.17451500    2.33173500    0.79882000
 C                 -4.78957200    1.57828300    1.75390400
 H                 -4.39845100    2.59984900    1.81240400
 H                 -5.58294300    1.47904900    2.50644300
 H                 -3.98374500    0.89299600    2.01668100
 C                 -6.01361600   -0.10711600    0.37706600
 H                 -5.27454000   -0.89604200    0.54009700
 H                 -6.75081400   -0.15755300    1.18954800
 H                 -6.53839100   -0.32223800   -0.55881400
 C                  0.65136700   -3.20792000   -4.02999200
 H                 -0.27101300   -3.77330900   -4.18732400
 H                  0.88421700   -2.69627300   -4.97425800
 H                  1.46036600   -3.91842200   -3.83900800
 C                 -0.53787900   -1.13038800   -3.29772500
 H                 -0.71553400   -0.42997100   -2.47459500
 H                 -0.20271100   -0.54834100   -4.16612200
 H                 -1.49104100   -1.60086900   -3.55250700
 C                  1.87291000   -1.42997000   -2.77540000
 H                  1.80345600   -0.61999200   -2.04357300
 H                  2.68317600   -2.09226100   -2.45621100
 H                  2.15969500   -0.99274700   -3.74046400
 C                  0.22019300   -5.59535100   -1.66091200
 H                  0.69449000   -6.53482600   -1.34355800
 H                 -0.85809200   -5.70540400   -1.51326800
 H                  0.41030100   -5.47506900   -2.72944500
 C                  0.45074100   -4.71260100    0.64933500
 H                 -0.62957100   -4.81306900    0.80184800
 H                  0.92282600   -5.64951800    0.97435700
 H                  0.81060000   -3.90872100    1.29372100
 C                  2.30978400   -4.39098100   -0.98275600
 H                  2.73461400   -3.53363300   -0.45506700
 H                  2.76005300   -5.30240300   -0.56739600
 H                  2.61371200   -4.32198300   -2.03142800
 C                  0.00053100    2.21526400   -1.81426700
 H                 -0.87438000    1.66205500   -1.47120100
 H                 -0.17903200    3.28540400   -1.68417300
 H                  0.86427900    1.91573900   -1.21568100
 H                  0.18401700    2.00031000   -2.86899400
153
Si3P-CH4-5.0A
 Si                 0.16561400   -0.91662700    1.10872300
 C                  0.29351100    0.92453800    1.38405400
 C                 -0.77625100    1.81047500    1.65785700
 O                 -2.03034400    1.54756800    1.13901100
 C                 -2.94289800    2.59903100    1.03666000
 C                 -4.00153600    2.51411600    0.11093200
 C                 -4.84765000    3.63107700    0.01397700
 C                 -4.67865500    4.77979700    0.77502900
 C                 -3.65736300    4.81128500    1.71624900
 C                 -2.80765500    3.71926600    1.86826000
 C                 -1.76094800    3.71024300    2.93554100
 C                 -0.57536300    2.92564000    2.47648700
 C                  0.71024800    3.25996900    2.89578800
 C                  1.79486700    2.47228400    2.54526400
 C                  1.57389500    1.30514700    1.82418300
 H                 -5.67755300    3.59090500   -0.67647000
 H                 -5.35182700    5.62363000    0.65268700
 H                 -3.51658600    5.67860200    2.35718200
 H                 -2.16973900    3.25165300    3.85030800
 H                 -1.47025800    4.73072100    3.20311200
 H                  0.84554000    4.14449400    3.51386600
 H                  2.79427400    2.73946200    2.86746500
 H                  2.41468100    0.66117000    1.60028600
 C                 -1.28214600   -1.43244900    2.20906600
 C                 -1.92312500   -2.60331300    1.85629300
 O                 -1.35400200   -3.30335200    0.80265900
 C                 -2.24218500   -3.21338400   -0.24801700
 C                 -1.81736500   -2.50078900   -1.35797700
 C                 -2.71566500   -2.43030800   -2.43297800
 C                 -3.97250700   -3.02020800   -2.31321100
 C                 -4.40107600   -3.61051200   -1.11466100
 C                 -3.53387100   -3.68393000   -0.02924700
 C                 -3.84625800   -4.06493700    1.41256400
 C                 -3.16741400   -3.03173300    2.30192800
 C                 -3.69789100   -2.32564500    3.38037500
 C                 -3.01011400   -1.21588800    3.89447700
 C                 -1.84458200   -0.73682200    3.29253900
 H                 -2.45798500   -1.92249200   -3.35332300
 H                 -4.65816500   -2.96708900   -3.15342700
 H                 -5.42019800   -3.97735900   -1.02660900
 H                 -4.92487700   -4.09006500    1.58639200
 H                 -3.45244200   -5.06850700    1.62677300
 H                 -4.66534200   -2.60119400    3.79208400
 H                 -3.43490900   -0.67371900    4.73474100
 H                 -1.39137600    0.18203600    3.65308300
 C                  1.67731900   -1.87265400    1.71761500
 C                  2.97097700   -1.95620600    1.15652400
 O                  3.39074100   -0.92328600    0.34659100
 C                  4.64224600   -0.96730100   -0.26147800
 C                  5.13846400    0.22295900   -0.83126700
 C                  6.30662500    0.12144000   -1.59828200
 C                  6.99006200   -1.08041600   -1.75525600
 C                  6.54456300   -2.20222200   -1.06800700
 C                  5.37722000   -2.15507600   -0.30528000
 C                  4.95772600   -3.35259100    0.49295500
 C                  3.78813300   -3.06728200    1.38641100
 C                  3.42361300   -3.98421800    2.37280100
 C                  2.24336700   -3.82886200    3.08691800
 C                  1.36692600   -2.81256100    2.71954100
 H                  6.71766300    1.01463300   -2.05014500
 H                  7.89126900   -1.12352500   -2.36035900
 H                  7.10468100   -3.13382800   -1.10901000
 H                  5.80960400   -3.71394600    1.08199100
 H                  4.68565900   -4.17951900   -0.18000100
 H                  4.07540900   -4.83435800    2.56153600
 H                  1.97371100   -4.52520700    3.87526500
 H                  0.40085800   -2.76470200    3.20909100
 P                 -4.36649600    0.99417800   -0.87817100
 C                 -4.96929100    1.65125500   -2.57438300
 C                 -5.84990400    0.33250200    0.11249900
 P                 -0.12799400   -1.81155700   -1.17344800
 C                  0.09804600   -0.35429500   -2.32134900
 C                  0.94816500   -3.30101100   -1.69439400
 P                  4.41935500    1.84759700   -0.32959400
 C                  4.73849700    3.05403000   -1.77744200
 C                  5.64329100    2.23483700    1.09114600
 C                 -6.40799500    2.16051800   -2.73056000
 H                 -6.62284800    3.05897300   -2.14765500
 H                 -6.57203200    2.42236300   -3.78510600
 H                 -7.14853700    1.40161200   -2.46777300
 C                 -3.99518200    2.74762900   -3.02486700
 H                 -4.12993900    3.67730900   -2.46585100
 H                 -2.95206900    2.43754400   -2.90515000
 H                 -4.16027600    2.96454600   -4.08875100
 C                 -4.80537900    0.45071400   -3.52481200
 H                 -3.76879300    0.10475500   -3.56107300
 H                 -5.43232400   -0.39635600   -3.23100200
 H                 -5.09586000    0.74543100   -4.54223100
 C                 -6.90970500    1.33345400    0.57235000
 H                 -6.48817200    2.09629900    1.23296300
 H                 -7.40534100    1.83729900   -0.26134500
 H                 -7.68227700    0.79479300    1.13902400
 C                 -5.18581100   -0.28537400    1.34779600
 H                 -4.68251200    0.46851400    1.96227200
 H                 -5.94231400   -0.77594700    1.97509200
 H                 -4.44131800   -1.03402600    1.06431400
 C                 -6.51409700   -0.78902500   -0.69108400
 H                 -5.77467700   -1.49950400   -1.06712600
 H                 -7.20776900   -1.33997100   -0.04138100
 H                 -7.09114100   -0.41138200   -1.54000800
 C                  0.10936800   -0.69210800   -3.81618900
 H                 -0.78752500   -1.21717600   -4.14960400
 H                  0.15397500    0.25549600   -4.36624400
 H                  0.98291400   -1.27755000   -4.10928400
 C                 -1.06590300    0.58828500   -2.01803300
 H                 -2.03563700    0.15029300   -2.25173100
 H                 -1.09715600    0.89306200   -0.97053100
 H                 -0.93685600    1.49470300   -2.61894000
 C                  1.40902100    0.35437000   -1.96166100
 H                  1.47830700    0.62952300   -0.90707400
 H                  2.29621500   -0.22417100   -2.21967800
 H                  1.43395400    1.28603600   -2.53550900
 C                  0.28434900   -3.96186900   -2.91301000
 H                 -0.67697700   -4.41514600   -2.66149500
 H                  0.13866600   -3.27856400   -3.75126400
 H                  0.95421300   -4.76133300   -3.25248600
 C                  1.01767000   -4.34686200   -0.57658500
 H                  0.04084200   -4.78428400   -0.36454700
 H                  1.67634500   -5.15190500   -0.92401200
 H                  1.42647300   -3.95279200    0.35195600
 C                  2.35819400   -2.85137100   -2.07741100
 H                  2.82849500   -2.25174900   -1.30502700
 H                  2.97251800   -3.74567200   -2.23109400
 H                  2.37485700   -2.28283800   -3.00906400
 C                  6.12851600    3.66879200   -1.96831400
 H                  6.91137800    2.93086700   -2.15924300
 H                  6.09641200    4.33777800   -2.83951200
 H                  6.43386100    4.27386600   -1.11089200
 C                  4.31650300    2.35568700   -3.07662100
 H                  3.32343000    1.90883400   -2.98742100
 H                  4.27610900    3.09782700   -3.88500900
 H                  5.01199900    1.56831200   -3.37864700
 C                  3.74516600    4.20266400   -1.52074400
 H                  2.71758700    3.83353200   -1.46517600
 H                  3.96034400    4.73527600   -0.58902700
 H                  3.80470300    4.93011800   -2.34171400
 C                  7.13670700    2.09007100    0.78989400
 H                  7.70425700    2.31763000    1.70311700
 H                  7.38991300    1.06852800    0.49197000
 H                  7.48333900    2.77042700    0.01085500
 C                  5.30994400    1.23496100    2.21008300
 H                  5.55117200    0.20833900    1.91536100
 H                  5.91274900    1.47257800    3.09656100
 H                  4.25919600    1.26283600    2.50539400
 C                  5.35184400    3.65889700    1.58103200
 H                  4.28190500    3.82879100    1.73852900
 H                  5.86686900    3.83246100    2.53521200
 H                  5.70953400    4.41415300    0.87520200
 C                  0.01765300    3.68874900   -0.83257000
 H                  0.64362300    2.81063700   -0.67147500
 H                 -1.03517300    3.40326500   -0.79745700
 H                  0.22368500    4.42321100   -0.05102100
 H                  0.24140000    4.12210500   -1.81210900
153
Si3P-CH4-exo
 Si                -0.18102900   -0.96494200   -1.11570400
 C                 -0.30966700    0.87771100   -1.41213100
 C                  0.74993400    1.78292400   -1.66887800
 O                  2.00859100    1.53056000   -1.15386300
 C                  2.91074600    2.59074000   -1.04108300
 C                  3.97439400    2.50876800   -0.11967900
 C                  4.80259200    3.63750900   -0.00748200
 C                  4.61388700    4.79495900   -0.75004500
 C                  3.59255700    4.82287200   -1.69103400
 C                  2.76008300    3.72016300   -1.85762400
 C                  1.71307300    3.71079600   -2.92311800
 C                  0.53702400    2.90616900   -2.47515400
 C                 -0.74776400    3.22176100   -2.90944200
 C                 -1.82139200    2.40831700   -2.58676200
 C                 -1.59003500    1.24178300   -1.86902900
 H                  5.63469500    3.59946900    0.68040700
 H                  5.27286800    5.64805900   -0.61533700
 H                  3.43812400    5.69655900   -2.32008200
 H                  2.12585800    3.26786400   -3.84372600
 H                  1.41003200    4.73089100   -3.17841600
 H                 -0.89020000    4.10936500   -3.52150800
 H                 -2.81961200    2.65735500   -2.92604300
 H                 -2.42389500    0.58419200   -1.65985200
 C                  1.26199100   -1.49139300   -2.21334400
 C                  1.90853100   -2.65301100   -1.84132300
 O                  1.34400500   -3.33269800   -0.77240600
 C                  2.23315600   -3.22015700    0.27432900
 C                  1.80880200   -2.49200600    1.37515200
 C                  2.70592500   -2.41092700    2.45004500
 C                  3.96446000   -2.99922700    2.33779200
 C                  4.39421600   -3.60064900    1.14572200
 C                  3.52634000   -3.68980200    0.06162300
 C                  3.84015800   -4.09490600   -1.37366000
 C                  3.15362700   -3.08317100   -2.28139300
 C                  3.67656800   -2.39458500   -3.37515100
 C                  2.98372800   -1.29581400   -3.90594600
 C                  1.81840100   -0.80963100   -3.30841300
 H                  2.44310300   -1.89800600    3.36608200
 H                  4.64914800   -2.93823400    3.17811400
 H                  5.41356100   -3.96801400    1.06165100
 H                  4.91900000   -4.11397900   -1.54742900
 H                  3.45541200   -5.10569700   -1.56938500
 H                  4.64431000   -2.67279300   -3.78438200
 H                  3.40468400   -0.76709100   -4.75660400
 H                  1.36112300    0.10239200   -3.68121300
 C                 -1.69561700   -1.93510900   -1.69072900
 C                 -2.98955100   -1.99870500   -1.12580800
 O                 -3.40620600   -0.94166500   -0.34603500
 C                 -4.65650500   -0.96482800    0.26641200
 C                 -5.14213800    0.23982600    0.81533400
 C                 -6.31486000    0.16614900    1.57782200
 C                 -7.01069900   -1.02576100    1.75567000
 C                 -6.57034700   -2.16620100    1.09628700
 C                 -5.40001800   -2.14576000    0.33654900
 C                 -4.98670000   -3.36615400   -0.42967500
 C                 -3.80836500   -3.11479000   -1.32222500
 C                 -3.44268800   -4.06575600   -2.27568100
 C                 -2.26032500   -3.93783100   -2.99140500
 C                 -1.38441200   -2.90904700   -2.65895400
 H                 -6.71690600    1.07331400    2.01056900
 H                 -7.91511900   -1.04827200    2.35707500
 H                 -7.13703400   -3.09276500    1.15707400
 H                 -5.83799700   -3.73282600   -1.01638000
 H                 -4.72834700   -4.17933300    0.26492700
 H                 -4.09646200   -4.92001800   -2.43722000
 H                 -1.98944000   -4.66190300   -3.75390800
 H                 -0.41703400   -2.87877400   -3.14747900
 P                  4.37079000    0.97917300    0.84029900
 C                  5.00299900    1.61252500    2.53605100
 C                  5.83828100    0.34338900   -0.18897000
 P                  0.12291500   -1.79281400    1.18890300
 C                 -0.08528600   -0.29442700    2.28823300
 C                 -0.95745100   -3.25818200    1.76167600
 P                 -4.39463000    1.84636300    0.29942400
 C                 -4.67463700    3.06816100    1.74336000
 C                 -5.62179900    2.25338000   -1.11284900
 C                  6.43892800    2.13352500    2.67530700
 H                  6.63794800    3.04129500    2.10135200
 H                  6.61781100    2.38215400    3.73068700
 H                  7.18190700    1.38437600    2.39084900
 C                  4.02599300    2.68760700    3.03170400
 H                  4.13091200    3.62886700    2.48582700
 H                  2.98488500    2.36406900    2.93928800
 H                  4.21966900    2.88883700    4.09391400
 C                  4.86901500    0.39240900    3.46495500
 H                  3.83815600    0.02948100    3.50180300
 H                  5.50501300   -0.43936300    3.14832100
 H                  5.16502200    0.67217700    4.48499100
 C                  6.88218100    1.35985900   -0.65063200
 H                  6.44153900    2.13058700   -1.28945300
 H                  7.38968000    1.85316800    0.18200000
 H                  7.64810500    0.83796800   -1.24158800
 C                  5.15811600   -0.25922100   -1.42246900
 H                  4.64372600    0.50113400   -2.01975000
 H                  5.90694500   -0.73889400   -2.06708700
 H                  4.41995800   -1.01389700   -1.13867700
 C                  6.52040700   -0.78823900    0.58517100
 H                  5.78903600   -1.51025300    0.95630600
 H                  7.21100900   -1.32150600   -0.08226800
 H                  7.10334800   -0.42210800    1.43493600
 C                 -0.10157100   -0.57662600    3.79446800
 H                  0.79904200   -1.08012200    4.15043600
 H                 -0.15506600    0.39108600    4.30747900
 H                 -0.97221700   -1.15624500    4.10672900
 C                  1.08740500    0.62755500    1.95738000
 H                  2.04512000    0.20249500    2.25597800
 H                  1.16086600    0.86059000    0.89301400
 H                  0.94074600    1.57250300    2.49103500
 C                 -1.38988300    0.41170300    1.90246400
 H                 -1.44582100    0.66510600    0.84283500
 H                 -2.28203700   -0.15896700    2.16440000
 H                 -1.41555400    1.35758000    2.45273100
 C                 -0.29684000   -3.88281500    3.00085000
 H                  0.66073800   -4.35108800    2.76293900
 H                 -0.14485800   -3.17354900    3.81620100
 H                 -0.97184100   -4.66585800    3.36718500
 C                 -1.02596200   -4.33941800    0.67737900
 H                 -0.04596800   -4.77265600    0.47014600
 H                 -1.67205000   -5.14075800    1.05539600
 H                 -1.44758800   -3.97931000   -0.25927600
 C                 -2.36793500   -2.79590000    2.12835500
 H                 -2.83616200   -2.21945600    1.33744500
 H                 -2.98389200   -3.68406900    2.30838300
 H                 -2.38574200   -2.19870700    3.04206900
 C                 -6.04162600    3.73458600    1.92591100
 H                 -6.84801200    3.02435900    2.12567600
 H                 -5.98606800    4.41084200    2.79028700
 H                 -6.32717200    4.34077000    1.06262500
 C                 -4.29004400    2.36699300    3.05221800
 H                 -3.32071400    1.86984100    2.97584100
 H                 -4.21621900    3.11656200    3.85144500
 H                 -5.02578600    1.61984300    3.36153500
 C                 -3.63524400    4.17466100    1.48470400
 H                 -2.62485600    3.75954600    1.42771600
 H                 -3.82923100    4.71449600    0.55231300
 H                 -3.66124400    4.90501600    2.30488000
 C                 -7.11670400    2.15302400   -0.79978600
 H                 -7.68426800    2.38482000   -1.71200100
 H                 -7.39517200    1.14210000   -0.48837500
 H                 -7.43985700    2.85156000   -0.02692000
 C                 -5.32831000    1.23067300   -2.22207700
 H                 -5.59666000    0.21551400   -1.91125700
 H                 -5.93116300    1.47456600   -3.10682600
 H                 -4.27990100    1.22249700   -2.52641400
 C                 -5.29503200    3.66330200   -1.62181400
 H                 -4.22215400    3.80384800   -1.78651100
 H                 -5.81024300    3.83916700   -2.57552000
 H                 -5.62914500    4.43628700   -0.92367500
 C                  0.20580600    3.99070800    0.97128900
 H                 -0.39089400    3.17522800    0.55662500
 H                  1.26658200    3.75705900    0.85569000
 H                 -0.02466400    4.91407900    0.43302400
 H                 -0.02777700    4.11560000    2.03251800
153
Si3P-TS
 Si                -0.06549100    0.32095000    1.94410800
 C                  1.61670400    0.77997100    2.59525100
 C                  2.35294200    1.79078300    1.97668000
 O                  1.65109600    2.54804900    1.07488800
 C                  2.32759900    3.14210400    0.03898900
 C                  1.54621100    3.51879300   -1.06240000
 C                  2.21251400    4.11702400   -2.13970100
 C                  3.59360000    4.29860300   -2.11262700
 C                  4.32917700    3.93247200   -0.98485100
 C                  3.70150700    3.36878000    0.12539400
 C                  4.42388700    3.07391200    1.41790000
 C                  3.70075200    2.02881100    2.22745300
 C                  4.30291100    1.27064800    3.23383800
 C                  3.57913300    0.31107800    3.94317000
 C                  2.25212600    0.04512800    3.60538100
 H                  1.65387400    4.44509900   -3.00851600
 H                  4.09550400    4.74601600   -2.96561600
 H                  5.40271000    4.10383400   -0.95606600
 H                  4.50285100    4.00409500    2.00084700
 H                  5.45225600    2.75408200    1.21668500
 H                  5.35457000    1.43296400    3.45889900
 H                  4.06553800   -0.26307900    4.72624100
 H                  1.71505500   -0.75521600    4.10774700
 C                 -1.44217700    1.47713900    2.39213400
 C                 -2.68904800    1.39776000    1.75230500
 O                 -2.82829200    0.37813800    0.84632700
 C                 -3.89230200    0.36708500   -0.03331300
 C                 -3.89024000   -0.63969100   -1.01898000
 C                 -4.89586600   -0.57507500   -1.99072000
 C                 -5.86715800    0.42345200   -1.97658500
 C                 -5.88544500    1.34564900   -0.93477800
 C                 -4.91078400    1.31857700    0.06366500
 C                 -4.99899500    2.24604900    1.24744500
 C                 -3.71868700    2.29371200    2.03184500
 C                 -3.51042200    3.23425100    3.04535500
 C                 -2.31224500    3.29083100    3.75111300
 C                 -1.27413200    2.42503200    3.40721100
 H                 -4.92946900   -1.32798800   -2.76857000
 H                 -6.62659400    0.45686200   -2.75282000
 H                 -6.67132700    2.09599600   -0.88033000
 H                 -5.26584600    3.25701200    0.91445500
 H                 -5.82246600    1.91872800    1.89928200
 H                 -4.31005700    3.93481600    3.27632000
 H                 -2.17514700    4.02512000    4.53935200
 H                 -0.31680200    2.49694900    3.91802800
 C                 -0.47505300   -1.39219000    2.54708100
 C                  0.13813100   -2.55304600    2.05638900
 O                  1.14862300   -2.35850400    1.14135700
 C                  1.54018600   -3.39354600    0.30995300
 C                  2.40695100   -3.06920400   -0.74938900
 C                  2.71654300   -4.09973000   -1.64631800
 C                  2.20398800   -5.38536100   -1.49049000
 C                  1.42389800   -5.68373700   -0.37673000
 C                  1.10325700   -4.69715600    0.55570400
 C                  0.39548100   -5.03727700    1.84079700
 C                 -0.22846700   -3.82851500    2.47839200
 C                 -1.16931800   -3.93103300    3.50588800
 C                 -1.73582600   -2.79712700    4.08137300
 C                 -1.40970500   -1.53749100    3.58101500
 H                  3.37997500   -3.89680500   -2.47827400
 H                  2.44566100   -6.15932500   -2.21359900
 H                  1.06963700   -6.69866300   -0.21067400
 H                  1.12032200   -5.48864100    2.53514900
 H                 -0.36757400   -5.80435200    1.66378400
 H                 -1.45737100   -4.92066400    3.85365300
 H                 -2.46015600   -2.89545900    4.88452700
 H                 -1.89989700   -0.65558900    3.98560700
 P                 -0.26134300    3.23758200   -0.91110600
 C                 -0.94134300    2.90397400   -2.64077200
 C                 -0.85827200    4.90090000   -0.23544200
 P                 -2.66590800   -2.01804500   -0.87272600
 C                 -2.24026300   -2.57827900   -2.63816000
 C                 -3.77789400   -3.31005100   -0.03212800
 P                  3.16084900   -1.38187100   -0.78749700
 C                  3.34494600   -0.91449400   -2.61954000
 C                  4.84950700   -1.76601100   -0.01454200
 C                 -1.16591600    4.10696300   -3.55945600
 H                 -0.25822100    4.68978800   -3.73442400
 H                 -1.51265700    3.73728000   -4.53341100
 H                 -1.93766300    4.77862800   -3.17529400
 C                  0.00624900    1.91253300   -3.32746800
 H                  0.95859300    2.36494400   -3.61155400
 H                  0.22578300    1.05153300   -2.69248000
 H                 -0.47367100    1.53111500   -4.23692200
 C                 -2.28532200    2.19828000   -2.40682400
 H                 -2.16211400    1.28273700   -1.82601500
 H                 -3.00772800    2.82765200   -1.88125600
 H                 -2.72517800    1.92002800   -3.37200800
 C                 -0.36431000    6.11309800   -1.02942500
 H                  0.72802100    6.13460200   -1.09172700
 H                 -0.77027900    6.15735900   -2.04074200
 H                 -0.68428600    7.02304600   -0.50460000
 C                 -0.29322000    5.00178100    1.18657000
 H                  0.79785100    5.08752200    1.18110700
 H                 -0.69658100    5.90436500    1.66321600
 H                 -0.57084600    4.14226600    1.79736500
 C                 -2.38803600    4.88252500   -0.17290800
 H                 -2.75617500    3.99832700    0.35486600
 H                 -2.73510800    5.76706400    0.37589500
 H                 -2.84384800    4.91324500   -1.16658000
 C                 -3.23001700   -3.43988100   -3.42556200
 H                 -2.80566500   -3.64799400   -4.41767200
 H                 -3.40518000   -4.40453000   -2.94138700
 H                 -4.19782100   -2.95694200   -3.58238300
 C                 -1.91608300   -1.31003800   -3.43482500
 H                 -2.80742700   -0.71847000   -3.66051300
 H                 -1.21924000   -0.66503600   -2.89151300
 H                 -1.43606600   -1.58364800   -4.38351600
 C                 -0.93535200   -3.37775400   -2.47128400
 H                 -0.16866000   -2.79667700   -1.95268000
 H                 -1.08252200   -4.30158600   -1.90551100
 H                 -0.54211400   -3.65092400   -3.45946600
 C                 -5.14222900   -3.57762600   -0.66833400
 H                 -5.74454700   -2.66568400   -0.72300900
 H                 -5.06973100   -4.00221600   -1.67126300
 H                 -5.68939800   -4.29734000   -0.04316800
 C                 -4.00783800   -2.75325100    1.37797200
 H                 -4.63459900   -1.85497300    1.35646300
 H                 -4.52334000   -3.50570300    1.98988200
 H                 -3.06720000   -2.50122000    1.86952100
 C                 -2.97721700   -4.61228800    0.07212000
 H                 -1.97517700   -4.43051000    0.47214200
 H                 -3.49095300   -5.30639700    0.75052000
 H                 -2.87613900   -5.11202300   -0.89615300
 C                  4.49892400   -1.49987100   -3.43670300
 H                  4.48568700   -2.59171900   -3.48176400
 H                  4.42571400   -1.12973800   -4.46880000
 H                  5.47244200   -1.18613900   -3.04940400
 C                  2.01196800   -1.26130000   -3.29355800
 H                  1.15681400   -0.93897600   -2.69087600
 H                  1.94446700   -0.75140800   -4.26318100
 H                  1.90122400   -2.33501200   -3.46385700
 C                  3.49670800    0.61716300   -2.61033500
 H                  2.66721100    1.10934700   -2.09458600
 H                  4.41914400    0.94007900   -2.11992400
 H                  3.51673000    0.99265200   -3.64189900
 C                  5.64368000   -2.92626300   -0.61434800
 H                  6.56207300   -3.07089700   -0.02824400
 H                  5.07698100   -3.86165400   -0.57336300
 H                  5.93888100   -2.74814100   -1.65006700
 C                  4.52965400   -2.10379800    1.44809400
 H                  3.98140500   -3.04871000    1.53064300
 H                  5.46653100   -2.21138100    2.01118600
 H                  3.93579000   -1.32009600    1.92389200
 C                  5.67478500   -0.47467000   -0.05490000
 H                  5.10549100    0.37319400    0.34124100
 H                  6.57500000   -0.59470200    0.56239700
 H                  6.00242300   -0.22674800   -1.06933800
 C                  0.14163300    0.24802500   -0.05419000
 H                 -0.69854600   -0.16995600   -0.61057400
 H                  1.00159500    0.51947300   -0.67599400
 H                  0.65687200   -0.66847700    0.34597300
 H                 -0.16599700    1.46105600    0.02321400
153
Si3P-PH-SiCH3
 Si                -0.01014500   -0.03521100    1.83327800
 C                 -1.65336000    0.59333400    2.49887800
 C                 -2.86868900    0.19412400    1.93748000
 O                 -2.80584200   -0.88218000    1.05864100
 C                 -3.78071400   -1.03065100    0.12042200
 C                 -3.52075500   -1.91111000   -0.94593500
 C                 -4.47261100   -2.04031800   -1.96762300
 C                 -5.65082100   -1.30548400   -1.92543800
 C                 -5.91377700   -0.48762200   -0.82678500
 C                 -5.00242900   -0.35857800    0.21958900
 C                 -5.32697600    0.40392500    1.47587000
 C                 -4.08238700    0.81591400    2.21333900
 C                 -4.08810700    1.82613700    3.17863800
 C                 -2.91551500    2.19482400    3.83216300
 C                 -1.70677200    1.59748200    3.47259900
 H                 -4.29561700   -2.71493900   -2.79838800
 H                 -6.37338100   -1.39218800   -2.73054300
 H                 -6.85633400    0.05140500   -0.76827300
 H                 -5.95303600   -0.23179600    2.12020500
 H                 -5.93392900    1.28466700    1.23792900
 H                 -5.02569100    2.32627600    3.41131000
 H                 -2.93625100    2.97636900    4.58656300
 H                 -0.78159700    1.93825100    3.93090300
 C                  0.22848300   -1.80208500    2.43463100
 C                  1.24965900   -2.60354000    1.90394100
 O                  2.16165900   -1.96220200    1.09759800
 C                  2.84226600   -2.68689900    0.14417200
 C                  3.44820500   -1.96509100   -0.90095600
 C                  4.04979900   -2.72016200   -1.91719400
 C                  4.05498100   -4.11309200   -1.89439900
 C                  3.50907600   -4.78649500   -0.80357000
 C                  2.91790200   -4.08074600    0.24331100
 C                  2.43543500   -4.76668400    1.49505800
 C                  1.35885800   -3.96748400    2.17438500
 C                  0.45843600   -4.52863900    3.08344600
 C                 -0.51874100   -3.74849200    3.69732600
 C                 -0.64062600   -2.40058100    3.35532500
 H                  4.53001900   -2.20882800   -2.74277200
 H                  4.51434800   -4.66912800   -2.70717200
 H                  3.55470000   -5.87206400   -0.74934500
 H                  2.07307900   -5.77534500    1.26482400
 H                  3.28683700   -4.89883200    2.18082600
 H                  0.53283400   -5.59025900    3.30942400
 H                 -1.20406400   -4.19636300    4.41162700
 H                 -1.43844300   -1.80517700    3.79343500
 C                  1.36107700    1.03412300    2.53181300
 C                  1.59438300    2.30885000    2.00211800
 O                  0.62059000    2.79487000    1.15928100
 C                  0.95484600    3.73684100    0.21529400
 C                  0.04532400    3.93941700   -0.83942500
 C                  0.43551800    4.83659100   -1.84295700
 C                  1.65974900    5.49947200   -1.79978800
 C                  2.49774800    5.32707300   -0.70009400
 C                  2.14402800    4.46456600    0.33600100
 C                  2.95869400    4.36563700    1.60014100
 C                  2.73318100    3.05425700    2.30002300
 C                  3.62046700    2.53853600    3.24773000
 C                  3.37507900    1.31557300    3.86855600
 C                  2.26374500    0.56064800    3.49004800
 H                 -0.23257900    5.02538900   -2.67482200
 H                  1.94297500    6.17295800   -2.60417600
 H                  3.43256100    5.87935600   -0.63067800
 H                  2.68182200    5.19670200    2.26760600
 H                  4.02419700    4.49906900    1.37885600
 H                  4.51407000    3.10760700    3.49600100
 H                  4.07075100    0.93225900    4.61004900
 H                  2.11164300   -0.42586900    3.92195300
 P                 -2.08643100   -2.99332700   -0.90658700
 C                 -1.17737800   -3.06229500   -2.52960600
 C                 -2.60114200   -4.59568700   -0.12763200
 P                  3.48487500   -0.11710000   -0.78931000
 C                  3.32731400    0.51448100   -2.57871800
 C                  5.26490200    0.11966100   -0.16612100
 P                 -1.60082200    3.09968400   -0.75322000
 C                 -2.06367700    2.67813400   -2.55299400
 C                 -2.66117000    4.54639000   -0.12456400
 C                 -1.74296900   -4.12403700   -3.47807400
 H                 -2.80294700   -3.97895300   -3.70304400
 H                 -1.19524300   -4.05058700   -4.42423800
 H                 -1.59965600   -5.13765500   -3.09548200
 C                 -1.27407600   -1.67112900   -3.16795900
 H                 -2.28834100   -1.43234000   -3.49582500
 H                 -0.94270300   -0.88472100   -2.48693600
 H                 -0.61637300   -1.65015500   -4.04371300
 C                  0.29069500   -3.38130500   -2.20945300
 H                  0.75729600   -2.60847000   -1.59608700
 H                  0.42015900   -4.34057700   -1.70502100
 H                  0.84491800   -3.42487300   -3.15264900
 C                 -3.72328200   -5.26998200   -0.92217700
 H                 -4.59893700   -4.62092300   -1.01824500
 H                 -3.40897800   -5.58865600   -1.91788200
 H                 -4.03471100   -6.16438300   -0.37082700
 C                 -3.12211200   -4.21335900    1.26582400
 H                 -4.02419300   -3.59693900    1.20643000
 H                 -3.38205500   -5.13655000    1.79635900
 H                 -2.37001500   -3.68717900    1.85788500
 C                 -1.37374600   -5.50516800   -0.00406900
 H                 -0.54922600   -5.00930100    0.51751800
 H                 -1.65538400   -6.38497700    0.58545300
 H                 -1.02150200   -5.86036900   -0.97628200
 C                  4.54243800    0.48585700   -3.50824500
 H                  4.94348400   -0.51856700   -3.66668300
 H                  4.24616800    0.87726800   -4.49185300
 H                  5.35232300    1.12145300   -3.13904000
 C                  2.17364100   -0.26577500   -3.22013100
 H                  2.45336400   -1.29375700   -3.46625200
 H                  1.30502400   -0.30445700   -2.55667400
 H                  1.86035700    0.23497000   -4.14575700
 C                  2.87742600    1.97805400   -2.42523600
 H                  1.96269900    2.06209100   -1.83293600
 H                  3.63709400    2.59839700   -1.94174300
 H                  2.67603200    2.40821100   -3.41536500
 C                  6.38251500   -0.59539900   -0.92585800
 H                  6.22114300   -1.67776000   -0.94790900
 H                  6.49209800   -0.24345900   -1.95333200
 H                  7.33706500   -0.41520900   -0.41108200
 C                  5.24102800   -0.42252000    1.27009200
 H                  5.08962100   -1.50773300    1.28589400
 H                  6.20483700   -0.21340400    1.75458300
 H                  4.45185400    0.04243800    1.86535900
 C                  5.53379300    1.62836500   -0.11786900
 H                  4.72860200    2.15929700    0.40190300
 H                  6.46943000    1.81810400    0.42545200
 H                  5.64173600    2.05912700   -1.11837000
 C                 -2.61851400    3.76845400   -3.47195800
 H                 -1.92857000    4.60421500   -3.61319800
 H                 -2.81139700    3.33413800   -4.46326400
 H                 -3.56769000    4.16871600   -3.10431300
 C                 -0.81946600    2.05348000   -3.19568700
 H                 -0.35439200    1.31594400   -2.53553900
 H                 -1.10306000    1.53976200   -4.12406700
 H                 -0.05843200    2.79911300   -3.43889600
 C                 -3.13060000    1.57677200   -2.42142800
 H                 -2.76169400    0.73052600   -1.83541900
 H                 -4.04280900    1.93669100   -1.93682100
 H                 -3.40516800    1.20365400   -3.41730600
 C                 -2.55537200    5.87717000   -0.86972800
 H                 -3.16936600    6.62785400   -0.35190000
 H                 -1.52512000    6.24636400   -0.88119300
 H                 -2.90997900    5.81704100   -1.90034200
 C                 -2.18600100    4.76852300    1.31883700
 H                 -1.15690200    5.14349200    1.34827500
 H                 -2.82819200    5.51755200    1.80243700
 H                 -2.23212500    3.84873600    1.90692500
 C                 -4.11683500    4.06634800   -0.09305400
 H                 -4.20412900    3.10263100    0.42118000
 H                 -4.73426400    4.79547400    0.44898700
 H                 -4.53856700    3.96170500   -1.09792300
 C                 -0.01354600   -0.00848100   -0.04481500
 H                 -1.03147700    0.07763500   -0.42849800
 H                  0.55597500    0.84831500   -0.40389200
 H                  0.46874500   -0.90505000   -0.43795200
 H                 -1.19006500   -2.42396900    0.00537300