97
PB{Si(CCSiMe3)2} (3) m062x/cc-pVTZ
P          0.06358        0.48712        2.02048
Si        -0.16155        0.33798       -0.28055
C          0.26924       -1.28335        2.34288
C         -1.38773        1.03630        3.03214
C          1.60538        1.38803        2.50716
C          1.12019        1.53708       -0.83825
C         -1.79445        1.12415       -0.61379
B          0.24793       -1.70347       -0.34199
C          0.27833       -2.14461        1.23232
C          0.31101       -1.75503        3.66136
H         -1.06474        0.97367        4.07574
C         -2.54952        0.06397        2.80565
C         -1.82654        2.46642        2.71158
H          2.31516        1.02946        1.75780
C          2.12336        1.01423        3.89257
C          1.47924        2.90430        2.35038
C          2.09436        2.18770       -1.15744
C         -2.92278        1.52954       -0.80579
C         -0.93747       -2.46907       -1.16324
C          1.74235       -1.83231       -1.03672
C          0.33656       -3.51696        1.53798
C          0.38387       -3.10960        3.91167
H          0.26992       -1.06149        4.49316
H         -2.86077        0.07931        1.75946
H         -3.39754        0.38035        3.41470
H         -2.29475       -0.95933        3.07303
H         -1.08171        3.20942        2.97921
H         -2.73666        2.68843        3.27126
H         -2.05456        2.56752        1.65027
H          1.39670        1.26098        4.66978
H          3.02857        1.58736        4.09955
H          2.36781       -0.04312        3.96491
H          0.94645        3.18939        1.44387
H          2.47946        3.33707        2.29952
H          0.97991        3.34236        3.21402
Si         3.66221        3.08501       -1.54851
Si        -4.68739        2.06212       -0.95368
H         -0.65761       -3.53348       -1.20127
C         -1.05311       -2.00092       -2.61920
C         -2.31869       -2.41895       -0.49493
H          1.75934       -1.19470       -1.93286
C          2.89171       -1.35157       -0.14030
C          2.07327       -3.25362       -1.51870
H          0.31938       -4.22964        0.72297
C          0.39587       -3.99275        2.83430
H          0.41675       -3.47784        4.92775
C          4.17784        2.65230       -3.29304
C          4.93004        2.49097       -0.30344
C          3.36047        4.92409       -1.36870
C         -4.82668        3.37333       -2.27965
C         -5.70502        0.55131       -1.38051
C         -5.18311        2.74418        0.72123
H         -0.08439       -2.07166       -3.11900
H         -1.33052       -0.93788       -2.63156
C         -2.10647       -2.77896       -3.40649
C         -3.37661       -3.19709       -1.27699
H         -2.25441       -2.80161        0.52709
H         -2.64699       -1.37544       -0.41909
H          2.70314       -0.33214        0.20541
H          2.93572       -1.98422        0.75442
C          4.24563       -1.39486       -0.84660
C          3.41936       -3.31693       -2.24190
H          2.10847       -3.92859       -0.65540
H          1.28950       -3.62927       -2.17868
H          0.43946       -5.05917        3.01488
H          4.32486        1.57688       -3.39364
H          5.11218        3.15183       -3.55317
H          3.41558        2.95800       -4.00950
H          4.62010        2.73854        0.71280
H          5.90238        2.95202       -0.48300
H          5.04585        1.40838       -0.36876
H          2.59287        5.26075       -2.06540
H          4.27378        5.48613       -1.56917
H          3.02799        5.16369       -0.35818
H         -4.21329        4.24040       -2.03537
H         -5.86113        3.70416       -2.38299
H         -4.49552        2.98462       -3.24247
H         -5.46216        0.19053       -2.37990
H         -6.77111        0.78157       -1.35098
H         -5.50835       -0.25758       -0.67544
H         -5.04417        1.99103        1.49824
H         -6.23210        3.04407        0.72143
H         -4.57947        3.61446        0.98061
H         -2.17654       -2.40216       -4.42909
H         -1.79903       -3.82797       -3.47448
C         -3.46652       -2.70109       -2.71806
H         -3.11022       -4.25937       -1.28155
H         -4.35060       -3.11772       -0.78796
H          4.22406       -0.69808       -1.69299
H          5.04096       -1.05906       -0.17609
C          4.55104       -2.80030       -1.35823
H          3.63100       -4.33803       -2.56655
H          3.36259       -2.70201       -3.14630
H         -3.79771       -1.65682       -2.71138
H         -4.21387       -3.26971       -3.27491
H          4.66560       -3.47027       -0.49965
H          5.49889       -2.81468       -1.89966
97
PB{Ge(CCSiMe3)2} (4) m062x/cc-pVTZ
Ge         0.09564        0.31123       -0.28348
P         -0.11035        0.18541        2.10852
C          1.78141        1.22673       -0.52019
C         -1.24770        1.64765       -0.67560
B         -0.26574       -1.81021       -0.50510
C         -0.22982       -1.62091        2.22137
C          1.32322        0.68936        3.16861
C         -1.69666        0.92660        2.71041
C          2.90341        1.67089       -0.65021
C         -2.17771        2.38633       -0.92700
C         -0.24984       -2.36929        1.03111
C         -1.75367       -1.91258       -1.19638
C          0.94801       -2.44095       -1.39024
C         -0.21224       -2.22666        3.48496
H          1.01772        0.51697        4.20496
C          2.52271       -0.20313        2.83577
C          1.69924        2.16009        2.97560
H         -2.39209        0.62957        1.92088
C         -2.18372        0.35109        4.03679
C         -1.65164        2.45419        2.75353
Si         4.65406        2.25786       -0.71850
Si        -3.60178        3.50563       -1.29561
C         -0.25831       -3.76672        1.20152
H         -1.76987       -1.24704       -2.07178
C         -2.90052       -1.45823       -0.28394
C         -2.08079       -3.31824       -1.72520
H          0.72354       -3.51303       -1.50414
C          2.33001       -2.36417       -0.72530
C          1.02392       -1.86576       -2.80990
H         -0.16448       -1.61829        4.38059
C         -0.23508       -3.60061        3.60261
H          2.32227       -1.25719        3.01474
H          3.36959        0.09863        3.45376
H          2.80932       -0.07928        1.78910
H          1.93673        2.35735        1.92967
H          2.59060        2.37567        3.56710
H          0.91736        2.84510        3.28854
H         -2.36806       -0.71900        3.97527
H         -3.11732        0.84230        4.31550
H         -1.46556        0.53766        4.83827
H         -1.13499        2.79995        3.64859
H         -2.67238        2.83549        2.79790
H         -1.17402        2.88253        1.87261
C          5.70967        0.83563       -1.32237
C          5.12751        2.74017        1.03069
C          4.76931        3.72593       -1.87194
C         -2.99249        4.90167       -2.38226
C         -4.24052        4.16641        0.33863
C         -4.92783        2.50809       -2.15971
H         -0.24623       -4.39544        0.32039
C         -0.25914       -4.37213        2.44383
H         -2.93758       -2.11197        0.59630
H         -2.71497       -0.44508        0.08283
C         -4.25579       -1.48809       -0.98835
H         -1.29544       -3.66625       -2.39939
H         -2.11148       -4.02166       -0.88526
C         -3.43012       -3.36370       -2.44332
H          2.60127       -1.31251       -0.57079
H          2.29484       -2.82628        0.26468
C          3.42480       -3.01828       -1.56740
H          1.23389       -0.78861       -2.74954
H          0.05800       -1.96408       -3.31055
C          2.11833       -2.51719       -3.65431
H         -0.22107       -4.06741        4.57779
H          5.55377       -0.04818       -0.70232
H          6.76869        1.09589       -1.28943
H          5.45473        0.57337       -2.34920
H          4.50194        3.55824        1.38929
H          6.16916        3.06105        1.07789
H          5.00020        1.89449        1.70809
H          4.45336        3.45135       -2.87823
H          5.79548        4.09254       -1.92472
H          4.13245        4.54067       -1.52780
H         -2.20361        5.46473       -1.88375
H         -3.80719        5.58798       -2.61793
H         -2.59076        4.51424       -3.31838
H         -4.58938        3.34984        0.97198
H         -5.07543        4.85008        0.17762
H         -3.45780        4.70439        0.87419
H         -4.54621        2.07730       -3.08547
H         -5.78595        3.13669       -2.40258
H         -5.27056        1.69069       -1.52484
H         -0.26465       -5.45210        2.51617
H         -5.05000       -1.16711       -0.30976
H         -4.23607       -0.77305       -1.81770
C         -4.55763       -2.88101       -1.53485
H         -3.38266       -2.71912       -3.32724
H         -3.63856       -4.37480       -2.79959
H          4.39543       -2.92077       -1.07545
H          3.21933       -4.09056       -1.65331
C          3.47599       -2.40804       -2.96564
H          1.87516       -3.57502       -3.79994
H          2.15725       -2.06155       -4.64591
H         -4.66108       -3.57712       -0.69583
H         -5.50941       -2.88541       -2.06939
H          3.74443       -1.34929       -2.87935
H          4.25180       -2.88669       -3.56627
97
PB{Li(CCSiMe3)} (5) m062x/cc-pVTZ
P         -0.99108       -2.03921       -0.84294
C          0.79200       -2.46806       -0.99095
C         -1.72739       -3.60204       -0.14558
C         -1.55386       -2.04617       -2.63171
Li        -1.23433        0.07000        0.47291
C          1.80817       -1.57279       -0.59767
C          1.09407       -3.70978       -1.56177
H         -1.39396       -4.44663       -0.75029
C         -1.22490       -3.78946        1.28422
C         -3.25247       -3.55610       -0.17978
H         -1.73251       -3.08962       -2.90993
C         -0.48842       -1.45009       -3.55316
C         -2.84752       -1.24663       -2.78750
H         -0.52140        1.01297        2.05156
C          0.48009        0.80187       -0.56628
C         -0.32950        1.61594       -0.98641
O         -2.93723        0.63024        1.15579
C          3.11943       -2.04127       -0.79056
B          1.57582       -0.11713        0.15944
C          2.39988       -4.12518       -1.73740
H          0.29637       -4.36202       -1.89612
H         -0.13578       -3.81868        1.32902
H         -1.61245       -4.71938        1.70393
H         -1.56673       -2.96844        1.92097
H         -3.64037       -3.55411       -1.19772
H         -3.62520       -2.66404        0.33135
H         -3.66551       -4.42736        0.33185
H         -0.19084       -0.45999       -3.19998
H         -0.89559       -1.34464       -4.56087
H          0.40521       -2.06701       -3.60430
H         -3.62719       -1.54784       -2.08819
H         -3.24052       -1.35414       -3.80026
H         -2.63481       -0.18661       -2.62824
C          0.32996        0.54540        2.56615
Si        -1.16821        3.14965       -1.54691
C         -3.32070        0.65428        2.53486
C         -4.01435        0.56738        0.22246
H          3.94800       -1.40952       -0.50301
C          3.42141       -3.27747       -1.33585
C          1.05964       -0.50595        1.70838
C          2.94511        0.81898        0.10490
H          2.61497       -5.08812       -2.18086
H          0.99292        1.38789        2.76926
C         -0.13560       -0.03754        3.90280
C          0.08071        4.16821       -2.49940
C         -1.72538        4.06588       -0.00582
C         -2.63171        2.76946       -2.66221
H         -4.35527        0.31305        2.61852
H         -2.69119       -0.06988        3.05049
C         -3.14087        2.03016        3.14113
H         -3.53830        0.45871       -0.75105
H         -4.59419       -0.34153        0.41258
C         -4.91050        1.78880        0.24505
H          0.35366       -1.34876        1.60712
H          4.45542       -3.57538       -1.45415
C          2.23095       -1.06758        2.52836
H          3.76755        0.23117        0.53447
C          2.89478        2.11165        0.92974
C          3.33420        1.17657       -1.33906
H         -0.68056        0.71081        4.48524
H         -0.82582       -0.86880        3.71539
C          1.04852       -0.58003        4.69831
H          0.95146        4.37350       -1.87569
H         -0.34725        5.11914       -2.82061
H          0.42231        3.62874       -3.38321
H         -2.28113        3.39992        0.65543
H         -2.35287        4.92599       -0.24494
H         -0.85203        4.42027        0.54399
H         -3.07254        3.69906       -3.02710
H         -3.41601        2.20891       -2.15275
H         -2.30941        2.18889       -3.52797
H         -3.39033        2.00090        4.20201
H         -3.77820        2.76726        2.65450
H         -2.10465        2.35320        3.04319
H         -5.65771        1.69906       -0.54371
H         -4.33434        2.69663        0.06980
H         -5.43831        1.88485        1.19354
C          1.79964       -1.62820        3.88259
H          2.74449       -1.83990        1.95225
H          2.96037       -0.26735        2.69425
H          2.04982        2.72551        0.59170
H          2.71628        1.88351        1.98046
C          4.18497        2.92976        0.83371
C          4.64051        1.96227       -1.43232
H          3.39064        0.27857       -1.95670
H          2.53260        1.78875       -1.76873
H          1.72618        0.24629        4.93564
H          0.71038       -0.99773        5.64825
H          1.14345       -2.49047        3.72070
H          2.66627       -1.99062        4.43895
H          4.09216        3.85174        1.41255
H          4.99968        2.35436        1.28664
C          4.55414        3.24522       -0.61172
H          5.46292        1.34724       -1.05053
H          4.87480        2.19246       -2.47411
H          5.49406        3.79924       -0.65499
H          3.78377        3.89181       -1.04608
97
Rearrangement product (6) m062x/cc-pVTZ
Ge        -1.32382       -1.01395       -1.21544
P         -1.52871       -1.59266        1.18713
C         -0.88572        1.01642       -0.13447
C          0.68144       -1.03190       -1.18813
C         -1.91125        1.15717       -0.81027
C         -0.35474       -0.85762        2.37835
C         -1.35099       -3.42339        1.40642
C         -3.22172       -1.18931        1.86050
B          0.55779        0.91863        0.54546
Si         1.47184       -2.32494       -2.31201
C          1.37519       -0.14796       -0.42649
Si        -3.33817        1.99629       -1.67157
C          0.44731        0.24959        2.04511
C         -0.35390       -1.40353        3.66731
C          0.03339       -3.85911        0.93443
H         -1.44031       -3.61788        2.47642
C         -2.44886       -4.19836        0.68053
C         -4.27858       -1.25234        0.75685
C         -3.25643        0.17904        2.54279
H         -3.42679       -1.96504        2.60548
C          1.08406        2.47798        0.55668
C          2.46383       -1.51935       -3.69646
C          2.60185       -3.54126       -1.38790
C          0.11827       -3.34405       -3.14772
C          2.89877       -0.24291       -0.40517
C         -4.52734        2.56879       -0.34171
C         -4.15232        0.80323       -2.85536
C         -2.62309        3.46988       -2.57470
C          1.23234        0.75853        3.09050
C          0.44615       -0.87595        4.66247
H         -0.99991       -2.23759        3.91109
H          0.11638       -3.75920       -0.14840
H          0.19994       -4.90779        1.18429
H          0.82615       -3.26293        1.38681
H         -3.43351       -4.01440        1.10794
H         -2.24729       -5.26767        0.75803
H         -2.48027       -3.94043       -0.38034
H         -5.27133       -1.12559        1.19197
H         -4.26402       -2.18550        0.19714
H         -4.11779       -0.44301        0.04424
H         -2.95037        0.96405        1.84983
H         -2.60274        0.22307        3.41105
H         -4.27703        0.39173        2.86626
C          0.24970        3.40432        1.45601
H          2.11439        2.49278        0.94084
C          1.11308        3.11154       -0.84275
H          1.86271       -0.77847       -4.22528
H          2.78745       -2.27235       -4.41800
H          3.35289       -1.01756       -3.31250
H          3.61992       -3.49022       -1.77865
H          2.25190       -4.56833       -1.50565
H          2.64611       -3.32207       -0.32093
H         -0.52577       -3.86313       -2.43404
H          0.58331       -4.10255       -3.78113
H         -0.52378       -2.72775       -3.77872
C          3.48293       -0.40147        1.00408
C          3.63456        0.89211       -1.13420
H          3.18894       -1.15221       -0.93929
H         -4.00775        3.19389        0.38582
H         -4.97870        1.73234        0.19197
H         -5.33013        3.16010       -0.78541
H         -4.98981        1.28952       -3.35823
H         -4.52606       -0.08132       -2.33923
H         -3.44443        0.46709       -3.61330
H         -1.86050        3.15705       -3.28808
H         -2.16100        4.16275       -1.87035
H         -3.40475        4.00389       -3.11742
C          1.24627        0.21874        4.36407
H          1.86264        1.61610        2.89477
H          0.43764       -1.30433        5.65538
H          0.15757        3.00646        2.46713
H         -0.77119        3.44642        1.05286
C          0.82006        4.82234        1.50732
H          0.08337        3.18527       -1.20934
H          1.63527        2.47400       -1.55508
C          1.71994        4.51290       -0.82732
H          2.95042       -1.18681        1.54640
H          3.33231        0.52339        1.56474
C          4.97718       -0.70894        0.93689
H          3.48846        1.83519       -0.60378
H          3.21970        1.01874       -2.13605
C          5.13036        0.59003       -1.21457
H          1.87658        0.65501        5.12810
C          0.93721        5.42925        0.11097
H          0.20405        5.46070        2.14445
H          1.81442        4.78543        1.96523
H          2.76028        4.45160       -0.48902
H          1.73980        4.93512       -1.83441
H          5.38490       -0.81799        1.94325
H          5.12277       -1.66879        0.42974
C          5.72773        0.38079        0.17502
H          5.28248       -0.31713       -1.81007
H          5.64894        1.39815       -1.73298
H         -0.06938        5.57182       -0.29739
H          1.39931        6.41700        0.16058
H          6.78802        0.13393        0.10088
H          5.65805        1.31854        0.73574
71
4^M m062x/cc-pVTZ
Ge         0.13281        0.10655       -0.29456
P         -0.16656       -0.67617        1.93217
C          1.97293        0.68719       -0.19584
C         -0.94177        1.70842       -0.16407
B         -0.71396       -1.71987       -1.12573
C         -1.09933       -2.17120        1.54984
C          1.34934       -1.14852        2.81805
C         -1.13206        0.35330        3.07773
C          3.16335        0.92094       -0.15377
C         -1.72851        2.63107       -0.10579
C         -1.28540       -2.50989        0.19520
C         -1.87183       -1.12266       -2.13067
C          0.55390       -2.50973       -1.80891
C         -1.57750       -2.95534        2.60460
H          1.10126       -1.67033        3.74174
H         -2.03853        0.67348        2.56723
Si         4.98144        1.25144       -0.09806
Si        -2.93845        4.02708       -0.03782
C         -1.98763       -3.71231       -0.01374
H         -2.38467       -0.31123       -1.59848
C         -2.99342       -2.08337       -2.55128
C         -1.25390       -0.50007       -3.38582
H          1.02690       -1.81374       -2.51137
C          1.62470       -2.92215       -0.79335
H         -1.40856       -2.65081        3.63179
C         -2.26302       -4.12401        2.34589
C          5.83620       -0.02488       -1.16681
C          5.53495        1.09658        1.68606
C          5.29025        2.98143       -0.74037
C         -2.00459        5.63338       -0.26141
C         -3.77333        3.97464        1.63966
C         -4.18865        3.78246       -1.40803
H         -2.16522       -4.04105       -1.02725
C         -2.46193       -4.49892        1.02111
H         -2.61306       -2.97046       -3.06145
H         -3.58288       -2.41590       -1.69736
H         -0.48495        0.24036       -3.14402
H         -0.77964       -1.26168       -4.00912
H          1.20951       -3.61116       -0.05175
H          2.04255       -2.06306       -0.26048
H         -2.63471       -4.73528        3.15651
H          5.62084       -1.03268       -0.81123
H          6.91745        0.12008       -1.15183
H          5.49567        0.04725       -2.19964
H          5.01407        1.81711        2.31695
H          6.60688        1.27938        1.77437
H          5.32913        0.09644        2.06857
H          4.94034        3.07924       -1.76791
H          6.35591        3.21423       -0.71864
H          4.76618        3.71960       -0.13350
H         -1.25880        5.76146        0.52298
H         -2.68845        6.48274       -0.22591
H         -1.49025        5.64923       -1.22218
H         -4.29783        3.02921        1.78077
H         -4.50024        4.78270        1.73403
H         -3.04098        4.08163        2.44031
H         -3.69716        3.77932       -2.38090
H         -4.93053        4.58241       -1.40164
H         -4.70867        2.83166       -1.29080
H         -2.99306       -5.41470        0.79573
H         -0.54766        1.23389        3.34010
H         -1.38810       -0.20412        3.97790
H          1.93160       -0.25399        3.03476
H          1.93240       -1.80431        2.17363
H         -3.67662       -1.58405       -3.24368
H         -2.00877        0.00143       -3.99607
H          2.46207       -3.43077       -1.27847
C          0.16421       -3.74854       -2.62473
H          1.04116       -4.17802       -3.11699
H         -0.25211       -4.52957       -1.98486
H         -0.56760       -3.51972       -3.39893
71
TS1 m062x/cc-pVTZ
Ge        -0.11504       -0.54588       -1.18493
P         -0.19578        1.59084       -1.82084
C          1.51753       -1.38570       -0.87167
C         -1.79404       -1.25266       -0.76605
B          0.33668        1.16171        1.37860
C         -0.04383        2.93264       -0.59604
C          1.03983        1.95078       -3.10857
C         -1.84596        1.82453       -2.55125
C          2.60509       -1.88588       -0.66185
C         -2.90164       -1.68165       -0.50558
C          0.10599        2.60493        0.75068
C         -0.78855        0.60121        2.35053
C          1.85863        0.72767        1.59163
C         -0.14450        4.25736       -1.02931
H          1.04294        3.01325       -3.34646
H         -2.58515        1.48279       -1.82660
Si         4.25727       -2.51371       -0.14400
Si        -4.54776       -2.20853        0.13138
C          0.12757        3.68021        1.65555
H         -0.55137        1.14466        3.28282
C         -0.67824       -0.89104        2.66860
C         -2.22369        0.97993        1.97829
H          1.92736       -0.36014        1.51568
C          2.84382        1.34064        0.59724
H         -0.26666        4.48417       -2.08237
C         -0.10206        5.29301       -0.11574
C          4.36076       -4.34675       -0.51014
C          4.44157       -2.19838        1.69475
C          5.55859       -1.56736       -1.10447
C         -5.22767       -3.59805       -0.92381
C         -5.66906       -0.70792        0.05571
C         -4.31897       -2.77006        1.90295
H          0.22114        3.47591        2.71564
C          0.02950        4.99527        1.23633
H         -0.93048       -1.48638        1.78913
H          0.32877       -1.16912        2.98224
H         -2.33890        2.05890        1.86358
H         -2.51173        0.50587        1.03896
H          2.87726        2.42826        0.70125
H          2.57514        1.10863       -0.43483
H         -0.18139        6.31858       -0.44841
H          3.58017       -4.89120        0.02121
H          5.32720       -4.74611       -0.19878
H          4.23909       -4.53642       -1.57646
H          4.36762       -1.13132        1.90962
H          5.40581       -2.55603        2.05970
H          3.65378       -2.70672        2.25183
H          5.45187       -1.74049       -2.17532
H          6.56051       -1.87904       -0.80545
H          5.46656       -0.49616       -0.92266
H         -5.34562       -3.27718       -1.95880
H         -6.20131       -3.92216       -0.55293
H         -4.55593       -4.45641       -0.91144
H         -5.25547        0.10609        0.65229
H         -6.66062       -0.94591        0.44371
H         -5.78071       -0.35701       -0.97052
H         -3.62158       -3.60633        1.95643
H         -5.26763       -3.08523        2.34029
H         -3.91330       -1.95626        2.50513
H          0.05189        5.79517        1.96459
H         -1.92893        1.22743       -3.45618
H         -2.00938        2.87926       -2.76570
H          0.81033        1.36019       -3.99213
H          2.02134        1.66588       -2.73241
H         -1.36790       -1.17418        3.46748
H         -2.92942        0.64890        2.74510
H          3.85708        0.96105        0.75715
C          2.28603        1.11120        3.02126
H          3.32591        0.82545        3.19823
H          2.22056        2.19137        3.17718
H          1.67213        0.62255        3.77800
71
INT1 m062x/cc-pVTZ
Ge        -0.24294       -0.86014       -2.06853
P         -1.02624        1.49487       -1.61234
C          1.35244       -1.11949       -0.95247
C         -1.61415       -1.54989       -0.82916
B          1.00755        1.55209        1.15779
C         -1.00089        2.71077       -0.23366
C         -0.54521        2.48043       -3.07835
C         -2.81274        1.21857       -1.90466
C          2.43988       -1.50378       -0.56284
C         -2.55615       -2.00209       -0.20704
C         -0.15289        2.59280        0.87457
C          0.80848        0.58698        2.39198
C          2.41216        1.79069        0.48593
C         -1.89824        3.77850       -0.32799
H         -1.11365        3.40860       -3.11624
H         -3.26258        0.84025       -0.98911
Si         4.09939       -2.15249       -0.07880
Si        -3.95771       -2.61384        0.81759
C         -0.26166        3.57937        1.86893
H          0.55077        1.26988        3.21622
C          2.03039       -0.22676        2.81201
C         -0.40190       -0.34172        2.20387
H          3.00486        0.88073        0.57171
C          2.41485        2.24433       -0.96984
H         -2.55378        3.86403       -1.18478
C         -1.97038        4.74459        0.65874
C          4.88659       -2.89182       -1.60982
C          3.88360       -3.46724        1.23769
C          5.16429       -0.74933        0.56713
C         -4.70949       -4.12260        0.00092
C         -5.22184       -1.23172        0.92979
C         -3.31242       -3.03971        2.52329
H          0.37268        3.51645        2.74548
C         -1.14389        4.64074        1.76752
H          2.28747       -0.93847        2.02663
H          2.90415        0.39949        2.99956
H         -1.29832        0.20162        1.89781
H         -0.19545       -1.09025        1.43900
H          1.80943        3.14579       -1.09821
H          2.02997        1.46259       -1.62709
H         -2.66882        5.56472        0.56557
H          4.26813       -3.69431       -2.01174
H          5.87101       -3.30128       -1.37760
H          5.00433       -2.13592       -2.38629
H          3.43222       -3.05462        2.13989
H          4.85003       -3.89722        1.50606
H          3.24169       -4.27017        0.87515
H          5.22682        0.06181       -0.15968
H          6.17558       -1.11318        0.75769
H          4.76965       -0.34364        1.49914
H         -5.07369       -3.88126       -0.99771
H         -5.54677       -4.50270        0.58828
H         -3.97006       -4.91789       -0.09334
H         -4.77963       -0.34547        1.38702
H         -6.07742       -1.53451        1.53534
H         -5.58666       -0.95819       -0.06083
H         -2.52869       -3.79488        2.46183
H         -4.11302       -3.42575        3.15624
H         -2.89100       -2.15602        3.00279
H         -1.19061        5.38150        2.55445
H         -2.92158        0.45910       -2.67862
H         -3.31079        2.13176       -2.22325
H         -0.74806        1.88564       -3.96788
H          0.51721        2.70855       -3.04022
H          1.82601       -0.79566        3.72148
H         -0.62289       -0.86798        3.13469
H          3.42875        2.48025       -1.30240
C          3.08364        2.87330        1.36236
H          4.12222        3.00656        1.05357
H          2.57699        3.83399        1.24892
H          3.08305        2.61626        2.42353
71
TS2 m062x/cc-pVTZ
Ge        -0.12634        0.83176       -1.79774
P          0.56367        1.92761        0.25696
C          0.42791       -0.84684       -0.76233
C         -1.97265        0.88424       -1.02563
B          2.71806       -0.82996       -0.14563
C          2.34953        1.83508        0.58253
C          0.08061        3.68391        0.22259
C         -0.24633        1.29006        1.75768
C         -0.25423       -1.77170       -0.33698
C         -3.11628        0.96197       -0.61296
C          3.07236        0.63797        0.41939
C          2.72765       -1.98593        0.96259
C          3.28200       -1.19855       -1.60307
C          2.96723        2.99556        1.06064
H          0.21561        4.16564        1.18928
H         -0.05112        0.22224        1.82891
Si        -1.59709       -2.84095        0.37156
Si        -4.82055        1.03337        0.08318
C          4.42539        0.69244        0.80339
H          3.78275       -1.94379        1.27757
C          2.48424       -3.40337        0.44865
C          1.91031       -1.72916        2.22783
H          2.68540       -2.03858       -1.97054
C          3.24677       -0.08438       -2.64835
H          2.39672        3.90692        1.17214
C          4.30650        3.01037        1.40102
C         -2.30980       -1.89483        1.82508
C         -0.92741       -4.49793        0.92454
C         -2.87058       -3.01758       -0.98654
C         -5.56878       -0.68376        0.02345
C         -5.84934        2.23289       -0.92122
C         -4.69245        1.61676        1.86227
H          5.02817       -0.20241        0.72518
C          5.03672        1.83983        1.27805
H          1.48293       -3.49117        0.02627
H          3.18936       -3.68879       -0.33105
H          2.06812       -0.72172        2.61842
H          0.84429       -1.84857        2.02203
H          3.76032        0.80806       -2.28062
H          2.23402        0.20383       -2.92001
H          4.76716        3.91870        1.76364
H         -1.57960       -1.78880        2.62874
H         -3.18716       -2.40323        2.22955
H         -2.60416       -0.89769        1.49169
H         -0.47466       -5.04212        0.09570
H         -1.74071       -5.10421        1.32710
H         -0.17347       -4.37829        1.70321
H         -3.16958       -2.02772       -1.33530
H         -3.75814       -3.54016       -0.62574
H         -2.46247       -3.57165       -1.83180
H         -5.63331       -1.04652       -1.00274
H         -6.57439       -0.67629        0.44715
H         -4.96328       -1.38997        0.59302
H         -5.41285        3.23151       -0.89927
H         -6.86424        2.29514       -0.52556
H         -5.90724        1.91361       -1.96175
H         -4.09942        0.92176        2.45855
H         -5.68168        1.69162        2.31664
H         -4.22096        2.59889        1.91508
H          6.08349        1.81648        1.55060
H         -1.31970        1.45095        1.66388
H          0.14802        1.80203        2.63503
H         -0.97708        3.70713       -0.04160
H          0.64826        4.21277       -0.54063
H          2.56859       -4.13360        1.25747
H          2.17129       -2.43943        3.01549
H          3.75142       -0.39757       -3.56568
C          4.74217       -1.69120       -1.50251
H          5.03966       -2.16259       -2.44111
H          5.41901       -0.84974       -1.34323
H          4.90565       -2.41227       -0.70132
71
INT2 m062x/cc-pVTZ
Ge        -0.44836       -0.21823        1.68222
P          0.56464       -1.89464        0.20361
C         -2.12716       -0.64777        0.70503
B          2.58605        0.75493       -0.32502
C          2.36228       -1.96323        0.00045
C         -0.00678       -3.49916        0.85141
C         -0.09673       -1.84543       -1.49241
C         -3.23141       -0.87050        0.24333
C          3.07514       -0.80322       -0.35537
C          2.84155        1.47404       -1.79554
C          3.33394        1.56987        0.91916
C          2.97114       -3.22139        0.07213
H          0.21071       -4.30613        0.15407
H          0.14243       -0.88008       -1.93284
Si        -4.91272       -1.05769       -0.50127
C          4.41794       -1.02003       -0.70575
H          3.91183        1.35651       -1.99462
C          2.54042        2.97144       -1.81191
C          2.09198        0.79708       -2.94153
H          2.82608        2.53855        0.98646
C          3.15998        0.87419        2.26893
H          2.40253       -4.09321        0.36498
C          4.30943       -3.37331       -0.23539
C         -5.76298       -2.52952        0.28210
C         -4.70255       -1.31380       -2.34497
C         -5.85210        0.52485       -0.15428
H          5.01022       -0.17621       -1.03042
C          5.02852       -2.26078       -0.64851
H          1.47615        3.14665       -1.63014
H          3.09810        3.51446       -1.04819
H          2.28442       -0.27763       -2.97328
H          1.01267        0.94640       -2.83143
H          3.62927       -0.11364        2.25851
H          2.10740        0.73696        2.52811
H          4.77735       -4.34582       -0.17004
H         -5.20037       -3.44555        0.10140
H         -6.76397       -2.65877       -0.13202
H         -5.85484       -2.39515        1.35979
H         -4.17571       -0.47190       -2.79549
H         -5.67297       -1.40798       -2.83457
H         -4.13104       -2.21955       -2.54986
H         -5.95251        0.68632        0.91927
H         -6.85184        0.48657       -0.58934
H         -5.32867        1.38286       -0.57795
H          6.07096       -2.35982       -0.92208
H         -1.17636       -1.97392       -1.45940
H          0.37481       -2.63684       -2.07445
H         -1.08598       -3.42658        0.98629
H          0.46281       -3.70481        1.81155
H          2.77943        3.41624       -2.78161
H          2.37288        1.21585       -3.91149
H          3.61885        1.44555        3.08062
C          4.82085        1.86483        0.70645
H          5.18436        2.56364        1.46466
H          5.42088        0.95805        0.80305
H          5.02655        2.30398       -0.27161
C          1.03146        1.01892       -0.02972
C         -0.07391        1.49456        0.26337
Si        -1.44827        2.76773        0.18252
C         -2.53288        2.63496        1.70063
C         -2.39761        2.43089       -1.39252
C         -0.62851        4.44899        0.15216
H         -3.08032        1.69351        1.73141
H         -3.25861        3.45051        1.69234
H         -1.94196        2.72626        2.61335
H         -1.74522        2.54745       -2.25883
H         -3.23579        3.12186       -1.49763
H         -2.78105        1.41013       -1.38364
H          0.03520        4.56668        1.00905
H         -1.38777        5.23191        0.19791
H         -0.04123        4.59537       -0.75307
71
TS3 m062x/cc-pVTZ
Ge        -0.41533       -0.01858        1.69274
P          0.33048       -1.78360        0.07341
C          1.41928        1.05661        0.19781
C         -2.21377       -0.43309        0.92466
B          2.75562        0.45101        0.31885
C          2.08878       -2.01797       -0.40388
C         -0.28152       -3.40563        0.64590
C         -0.46372       -1.56834       -1.55824
C          0.18918        1.42531        0.25582
C         -3.35323       -0.66989        0.56471
C          3.02206       -0.96493       -0.38417
C          2.79366        1.82366       -0.98790
C          3.66737        0.86588        1.58639
C          2.43766       -3.26989       -0.91826
H         -0.28210       -4.15218       -0.14550
H         -0.16525       -0.60011       -1.95936
Si        -1.07327        2.62155       -0.44621
Si        -5.05903       -0.85193       -0.10598
C          4.27955       -1.23022       -0.94089
H          3.80925        1.43149       -1.09689
C          2.90543        3.26072       -0.51433
C          2.10512        1.63895       -2.32781
H          3.27442        1.80958        1.97546
C          3.49282       -0.18669        2.68858
H          1.71859       -4.07818       -0.92490
C          3.69925       -3.50176       -1.43726
C         -0.39819        4.26395       -1.07109
C         -2.27374        3.03431        0.93421
C         -1.96750        1.78715       -1.87250
C         -5.80310        0.86505       -0.19863
C         -6.06777       -1.96003        1.01657
C         -4.92899       -1.59980       -1.82148
H          5.01798       -0.43856       -0.96825
C          4.62161       -2.46651       -1.46266
H          3.29116        3.89220       -1.31921
H          1.94180        3.66133       -0.21059
H          2.64625        2.17701       -3.10975
H          2.07271        0.58380       -2.60524
H          2.44706       -0.29220        2.98118
H          4.06755        0.07797        3.57950
H          3.95365       -4.47754       -1.82792
H          0.04467        4.85146       -0.26652
H         -1.24334        4.83274       -1.46670
H          0.33819        4.16275       -1.86713
H         -2.99981        3.77097        0.58475
H         -1.74533        3.46643        1.78585
H         -2.81986        2.15514        1.27482
H         -2.40506        0.84227       -1.55216
H         -1.29813        1.59751       -2.71310
H         -2.76947        2.43931       -2.22565
H         -5.85799        1.31500        0.79292
H         -6.80968        0.83508       -0.61834
H         -5.18830        1.51056       -0.82736
H         -5.62223       -2.95259        1.08502
H         -7.08503       -2.06908        0.63761
H         -6.12076       -1.54398        2.02257
H         -4.32776       -0.96426       -2.47332
H         -5.91586       -1.71113       -2.27331
H         -4.46194       -2.58461       -1.78235
H          5.60604       -2.62445       -1.88281
H         -1.54478       -1.58710       -1.43223
H         -0.13808       -2.35915       -2.23341
H         -1.30537       -3.25380        0.98814
H          0.32689       -3.75236        1.47917
H          3.58528        3.34531        0.33209
H          1.08318        2.01678       -2.31222
H          3.84539       -1.16311        2.34623
C          5.16037        1.05881        1.30916
H          5.66439        1.46183        2.19043
H          5.64118        0.10698        1.07664
H          5.35442        1.74562        0.48107
71
INT3 m062x/cc-pVTZ
Ge        -0.24274       -0.22938        0.63265
P          0.40691       -1.48699       -1.31584
C          1.70507        1.22098        0.39513
C         -2.15154       -0.57370        0.56919
B          1.91957       -0.19697        1.17450
C          2.14455       -1.83829       -0.91683
C         -0.43671       -3.09346       -1.47988
C          0.41120       -0.77377       -2.99244
C          0.42381        1.53795        0.07855
C         -3.35507       -0.74098        0.54028
C          2.70229       -1.26548        0.24372
C          2.94818        2.00047       -0.00546
C          2.18572       -0.13655        2.76619
C          2.87866       -2.66847       -1.76129
H          0.03583       -3.71027       -2.24296
H          0.90913        0.19375       -2.94760
Si        -0.67263        2.82903       -0.70162
Si        -5.19347       -0.90062        0.45635
C          4.04337       -1.58625        0.49203
H          3.80978        1.49848        0.44594
C          2.92620        3.44002        0.50202
C          3.13802        1.94783       -1.52316
H          1.34059        0.41438        3.19167
C          2.20169       -1.52029        3.41630
H          2.41661       -3.09916       -2.64291
C          4.20383       -2.95583       -1.48188
C          0.04330        4.46369       -1.31231
C         -1.98969        3.22915        0.57882
C         -1.52867        2.02854       -2.17979
C         -5.88976        0.80533        0.12410
C         -5.81939       -1.57348        2.08661
C         -5.61068       -2.07226       -0.94551
H          4.52593       -1.18017        1.36969
C          4.78311       -2.40712       -0.34667
H          3.86776        3.94106        0.27154
H          2.12228        3.99952        0.02994
H          4.04442        2.47691       -1.82228
H          3.21650        0.91438       -1.86725
H          1.29011       -2.07343        3.18195
H          2.28633       -1.45018        4.50354
H          4.77395       -3.60030       -2.13659
H          0.34176        5.11324       -0.48972
H         -0.74144        4.98048       -1.86991
H          0.89715        4.34064       -1.97857
H         -2.71283        3.94347        0.18068
H         -1.54306        3.66120        1.47536
H         -2.52772        2.32450        0.86813
H         -1.95382        1.05932       -1.90948
H         -0.84450        1.89232       -3.01845
H         -2.34565        2.66813       -2.52017
H         -5.62389        1.49235        0.92773
H         -6.97745        0.77380        0.04658
H         -5.49090        1.20776       -0.80758
H         -5.39160       -2.55475        2.29159
H         -6.90602       -1.67122        2.06972
H         -5.54934       -0.90915        2.90737
H         -5.22904       -1.69184       -1.89325
H         -6.69096       -2.19313       -1.03815
H         -5.17296       -3.05553       -0.77168
H          5.81724       -2.62286       -0.11132
H         -0.61331       -0.63360       -3.33240
H          0.94593       -1.42740       -3.68114
H         -1.48022       -2.91554       -1.73780
H         -0.39413       -3.60671       -0.52080
H          2.77156        3.47797        1.58030
H          2.28651        2.41303       -2.02478
H          3.04486       -2.11596        3.05969
C          3.43567        0.65851        3.17540
H          3.50509        0.72268        4.26427
H          4.36180        0.19797        2.82801
H          3.41027        1.67664        2.78646
71
TS4 m062x/cc-pVTZ
Ge        -0.21656        0.57644       -0.82650
P          0.26575       -1.41193       -1.80557
C          1.76497        0.58249        0.96361
C         -2.06625        0.51680       -0.41760
B          0.85581       -0.71712        1.03528
C          1.37634       -2.46514       -0.83793
C         -1.29786       -2.30695       -2.05625
C          1.01143       -1.29355       -3.46694
C          1.23142        1.50503        0.13291
C         -3.25283        0.47005       -0.15513
C          1.55021       -2.05642        0.48774
C          3.09077        0.68946        1.69332
C         -0.25097       -0.83157        2.19625
C          1.98563       -3.60306       -1.36387
H         -1.09184       -3.24171       -2.57670
H          1.94766       -0.74330       -3.38707
Si         1.62244        3.19460       -0.59541
Si        -5.00523        0.27266        0.37337
C          2.39100       -2.85554        1.27643
H          3.25557       -0.27171        2.19004
C          3.05392        1.76374        2.78183
C          4.25325        0.90409        0.72432
H         -0.76753        0.13105        2.26458
C         -1.29255       -1.92303        1.94923
H          1.82513       -3.89275       -2.39520
C          2.80188       -4.37329       -0.55446
C          2.67768        4.37636        0.42547
C         -0.02110        4.06689       -0.86159
C          2.46598        2.93520       -2.25783
C         -5.44496       -1.53878        0.16761
C         -6.11563        1.34104       -0.69192
C         -5.13149        0.77962        2.17164
H          2.57568       -2.58298        2.30730
C          3.00415       -3.98991        0.76669
H          3.98753        1.76636        3.34668
H          2.91795        2.75027        2.34580
H          5.20597        0.91461        1.25630
H          4.28370        0.10947       -0.02272
H         -1.88697       -1.70534        1.06186
H         -1.98013       -2.01601        2.79464
H          3.27929       -5.26034       -0.94706
H          2.20238        4.62067        1.37579
H          2.76449        5.30377       -0.14564
H          3.68551        4.01667        0.62614
H          0.14461        5.06084       -1.28091
H         -0.55223        4.18445        0.08438
H         -0.67072        3.51880       -1.54492
H          1.83710        2.32628       -2.90919
H          3.42567        2.42978       -2.14028
H          2.64290        3.89112       -2.75405
H         -5.34040       -1.84708       -0.87314
H         -6.47455       -1.72675        0.47584
H         -4.78751       -2.16185        0.77504
H         -5.84150        2.39221       -0.60201
H         -7.15882        1.23361       -0.39048
H         -6.03316        1.06001       -1.74190
H         -4.46821        0.16964        2.78548
H         -6.15133        0.65766        2.53971
H         -4.84436        1.82334        2.29959
H          3.64848       -4.58247        1.40306
H          0.32989       -0.74395       -4.11307
H          1.20456       -2.28120       -3.88500
H         -1.97867       -1.68935       -2.63942
H         -1.74394       -2.51109       -1.08539
H          2.23249        1.59300        3.47724
H          4.14921        1.85353        0.19853
H         -0.80783       -2.89444        1.81400
C          0.42768       -1.09012        3.55299
H         -0.29770       -1.01973        4.36733
H          0.84850       -2.09733        3.59013
H          1.23097       -0.38141        3.75944
71
INT4 m062x/cc-pVTZ
Ge         0.30983        1.42102       -1.27149
P          0.37508       -0.88113       -2.11748
C          1.25007        0.02508        1.17166
C         -1.50818        1.07550       -0.56599
B         -0.02168       -0.89717        1.14568
C          0.39414       -2.36081       -1.04684
C         -1.06323       -1.12777       -3.21147
C          1.82113       -1.08033       -3.21392
C          1.55051        1.02555        0.32536
C         -2.70232        1.10813       -0.32446
C          0.14428       -2.24464        0.32775
C          2.17649       -0.54189        2.26308
C         -1.25337       -0.71525        2.13631
C          0.62902       -3.60802       -1.62610
H         -1.01666       -2.09537       -3.70916
H          2.72602       -1.05668       -2.60861
Si         3.05917        2.13752        0.07414
Si        -4.47806        1.28424        0.12989
C          0.15554       -3.42649        1.08238
H          1.63837       -1.36156        2.75769
C          2.51533        0.46802        3.35675
C          3.41450       -1.17966        1.62989
H         -1.52806        0.33955        2.05991
C         -2.47185       -1.56078        1.75754
H          0.79505       -3.69046       -2.69314
C          0.65498       -4.75559       -0.85238
C          4.48157        2.32304        1.30855
C          2.43196        3.90102       -0.14189
C          3.86564        1.56268       -1.53469
C         -5.20360        2.69845       -0.86370
C         -4.57221        1.67429        1.96149
C         -5.40545       -0.29736       -0.26614
H         -0.04081       -3.37628        2.14618
C          0.42533       -4.65978        0.51276
H          3.10072       -0.00708        4.14601
H          3.09151        1.29596        2.96014
H          4.06850       -1.60241        2.39477
H          3.12161       -1.97949        0.94701
H         -2.72381       -1.44384        0.70340
H         -3.34481       -1.27601        2.35010
H          0.84735       -5.71584       -1.31089
H          4.18780        2.90396        2.18303
H          5.24835        2.89942        0.78414
H          4.93995        1.39682        1.64862
H          3.27835        4.57961       -0.26493
H          1.87690        4.21751        0.74315
H          1.78017        4.01312       -1.00743
H          3.14981        1.53744       -2.35767
H          4.29347        0.56454       -1.41802
H          4.67322        2.24118       -1.81585
H         -4.66051        3.62332       -0.66964
H         -6.25189        2.85486       -0.60399
H         -5.14370        2.49111       -1.93223
H         -4.09436        0.89481        2.55518
H         -5.61003        1.76447        2.28625
H         -4.06505        2.61607        2.17295
H         -5.27502       -0.56777       -1.31463
H         -6.47281       -0.16040       -0.08418
H         -5.06098       -1.12969        0.34650
H          0.44365       -5.54764        1.13045
H          1.84109       -0.24011       -3.90692
H          1.78261       -2.01188       -3.77515
H         -1.07980       -0.32749       -3.95066
H         -1.96490       -1.06274       -2.60400
H          1.61258        0.88373        3.80228
H          3.98356       -0.44827        1.05852
H         -2.29147       -2.62165        1.94008
C         -0.89287       -0.96576        3.61207
H         -1.77070       -0.78725        4.23664
H         -0.57949       -1.99701        3.78922
H         -0.09806       -0.31074        3.96194
71
TS5 m062x/cc-pVTZ
Ge         0.68177       -1.83489       -0.45173
P         -0.05681       -0.97720        1.76675
C          1.41602        0.91140       -0.66258
C         -1.02126       -0.81973       -0.93032
B         -0.16740        1.14567       -0.75265
C         -0.71698        0.73325        1.82567
C         -1.39660       -2.02034        2.43687
C          1.21931       -0.99360        3.07378
C          2.00112       -0.29707       -0.58046
C         -2.23843       -0.94255       -0.99653
C         -0.75031        1.55415        0.68378
C          2.15195        2.24664       -0.48989
C         -0.80590        1.74196       -2.11603
C         -1.15402        1.20577        3.06134
H         -1.77657       -1.63344        3.38107
H          2.01242       -0.30715        2.77963
Si         3.73802       -1.01200       -0.48672
Si        -4.07830       -1.11310       -0.88031
C         -1.19958        2.86597        0.86732
H          1.41868        3.04676       -0.61968
C          3.26744        2.48559       -1.50601
C          2.67446        2.37282        0.94435
H         -0.68210        0.93396       -2.84211
C         -2.29837        2.08364       -2.06071
H         -1.13822        0.55938        3.93112
C         -1.60971        2.50726        3.20547
C          5.33258       -0.00254       -0.37143
C          3.93022       -2.08386       -2.02351
C          3.80783       -2.14307        1.02921
C         -4.44111       -2.91352       -0.50423
C         -4.88413       -0.62014       -2.49432
C         -4.63467       -0.01409        0.53293
H         -1.21180        3.53788        0.01928
C         -1.61781        3.34408        2.10129
H          3.60504        3.52247       -1.46014
H          4.12226        1.85162       -1.29710
H          3.18625        3.32639        1.08807
H          1.85481        2.31265        1.66292
H         -2.85948        1.38925       -1.43792
H         -2.73556        2.07164       -3.06164
H         -1.94676        2.86173        4.16987
H          5.62322        0.42692       -1.32950
H          6.11485       -0.70943       -0.08297
H          5.31703        0.79275        0.37233
H          4.89678       -2.59114       -2.01718
H          3.87590       -1.46931       -2.92358
H          3.15011       -2.84352       -2.08819
H          2.94539       -2.80679        1.11258
H          3.88630       -1.56253        1.94998
H          4.69842       -2.77144        0.96179
H         -4.06485       -3.55641       -1.29990
H         -5.51769       -3.07023       -0.41925
H         -3.97918       -3.23000        0.43106
H         -4.69679        0.42718       -2.72768
H         -5.96339       -0.77022       -2.43566
H         -4.50049       -1.22609       -3.31522
H         -4.14246       -0.30520        1.46239
H         -5.71345       -0.08681        0.67990
H         -4.38377        1.02988        0.34145
H         -1.95456        4.36780        2.19807
H          1.63329       -1.99688        3.16286
H          0.80774       -0.68022        4.03179
H         -1.01608       -3.03106        2.57904
H         -2.20086       -2.04466        1.70286
H          2.94229        2.27620       -2.52382
H          3.37869        1.56961        1.16484
H         -2.46368        3.08344       -1.65640
C         -0.06781        2.94953       -2.71694
H         -0.53816        3.23519       -3.66063
H         -0.11075        3.82335       -2.06226
H          0.97803        2.73476       -2.92062
71
6^M m062x/cc-pVTZ
Ge        -1.02305       -1.08755        0.66067
P         -0.02571        0.62033        2.10772
C          1.23297       -0.33726       -1.00932
C         -1.02269        0.83778       -0.64489
B          0.49305        1.13041       -1.08104
C          1.15549        1.83070        1.43226
C         -1.37002        1.60843        2.84727
C          0.79524       -0.15822        3.54030
C          0.68860       -1.40013       -0.37062
C         -2.19411        0.47797       -0.48173
C          1.27804        2.02815        0.04219
C          2.65226       -0.33757       -1.57140
C          0.26936        1.82239       -2.57851
C          1.92249        2.54992        2.35076
H         -0.96632        2.32661        3.55991
H          1.70661       -0.64744        3.20123
Si         1.18113       -3.18650       -0.01792
Si        -4.03742        0.21095       -0.53904
C          2.22560        2.98275       -0.34671
H          2.84957        0.67327       -1.93142
C          2.81806       -1.27639       -2.76594
C          3.68542       -0.59473       -0.47144
H         -0.45610        1.15993       -3.06515
C         -0.41482        3.18968       -2.44737
H          1.80139        2.38748        3.41466
C          2.84881        3.48346        1.92038
C          2.63815       -4.08212       -0.81959
C         -0.30768       -4.25725       -0.46789
C          1.45617       -3.32858        1.84841
C         -4.70140        0.36790        1.20290
C         -4.34538       -1.49883       -1.22636
C         -4.72411        1.54387       -1.65659
H          2.36263        3.17829       -1.39929
C          2.99917        3.69359        0.55813
H          2.73316       -2.31585       -2.46694
H          2.05236       -1.09029       -3.51874
H          3.61433        0.17680        0.29803
H          3.53153       -1.55926        0.01013
H          0.25668        3.93048       -2.00823
H         -1.30072        3.13968       -1.81083
H          3.44089        4.03602        2.63682
H          2.43927       -4.31579       -1.86549
H          2.73047       -5.03300       -0.28819
H          3.59631       -3.57119       -0.75761
H         -1.18740       -4.03397        0.13639
H         -0.06448       -5.31221       -0.32710
H         -0.57509       -4.11207       -1.51629
H          2.35119       -2.78241        2.15306
H          1.58945       -4.37401        2.13313
H          0.60963       -2.93955        2.41890
H         -4.23065       -0.36918        1.85481
H         -5.77916        0.19907        1.21883
H         -4.50901        1.36183        1.60834
H         -3.91481       -1.59844       -2.22286
H         -5.41638       -1.69482       -1.29538
H         -3.90055       -2.25914       -0.58340
H         -4.50497        2.53443       -1.25764
H         -5.80633        1.44625       -1.75347
H         -4.28310        1.47558       -2.65112
H          3.71939        4.41685        0.19813
H          0.12467       -0.90893        3.95723
H          1.03839        0.56967        4.31156
H         -2.07557        0.94331        3.34492
H         -1.88220        2.14073        2.04738
H          3.79639       -1.13650       -3.22987
H          4.69757       -0.57704       -0.88090
H         -0.72740        3.57196       -3.42272
C          1.42204        1.94151       -3.58529
H          1.04903        2.38522       -4.51281
H          2.23658        2.58150       -3.24375
H          1.85284        0.97664       -3.84253
71
3^M m062x/cc-pVTZ
Si        -0.07888        0.08968       -0.25889
P          0.20465       -0.81481        1.83743
C          1.17642        1.43514       -0.14486
C         -1.71754        0.91519       -0.10266
B          0.19390       -1.74285       -1.21498
C          0.82017       -2.43140        1.33844
C          1.46127       -0.00814        2.87340
C         -1.26345       -0.99061        2.89512
C          2.07349        2.25203       -0.09269
C         -2.84531        1.35878       -0.02909
C          0.83047       -2.69605       -0.04299
C         -1.32688       -2.25130       -1.61998
C          1.19296       -1.57512       -2.49436
C          1.29644       -3.33423        2.29330
H          1.66893       -0.60869        3.75812
H         -2.02372       -1.55001        2.35550
Si         3.48211        3.45089       -0.07362
Si        -4.58420        1.98363        0.05860
C          1.38946       -3.93453       -0.40331
H         -1.80464       -1.45149       -2.19779
C         -2.23785       -2.53641       -0.42319
C         -1.29830       -3.49458       -2.51441
H          1.26057       -2.56416       -2.96575
C          0.63596       -0.62189       -3.55250
H          1.26780       -3.08456        3.34840
C          1.81316       -4.54923        1.89138
C          4.62007        3.01392       -1.49237
C          4.36303        3.26486        1.57008
C          2.79294        5.17969       -0.26594
C         -4.65855        3.64548       -0.79711
C         -5.04438        2.14430        1.86808
C         -5.68235        0.73264       -0.79568
H          1.45569       -4.18824       -1.45385
C          1.86303       -4.83956        0.53024
H         -1.81158       -3.31424        0.21755
H         -2.40258       -1.64280        0.18342
H         -0.73661       -3.32731       -3.43388
H         -0.84336       -4.34047       -1.99228
H          0.55186        0.39440       -3.15010
H         -0.35599       -0.92248       -3.89307
H          2.18323       -5.25683        2.62023
H          4.98572        1.99182       -1.39207
H          5.47965        3.68518       -1.52083
H          4.09418        3.08979       -2.44413
H          3.68721        3.47535        2.39935
H          5.20549        3.95501        1.63510
H          4.74639        2.25127        1.69048
H          2.24671        5.27476       -1.20422
H          3.59850        5.91545       -0.26353
H          2.10947        5.41822        0.54881
H         -3.99217        4.36031       -0.31466
H         -5.67239        4.04729       -0.76612
H         -4.35885        3.55521       -1.84105
H         -4.97134        1.18019        2.37216
H         -6.06842        2.50537        1.97407
H         -4.38190        2.84564        2.37556
H         -5.39125        0.61494       -1.83944
H         -6.72632        1.04790       -0.76395
H         -5.60384       -0.24182       -0.31316
H          2.28003       -5.78214        0.19945
H         -1.64817       -0.00078        3.13711
H         -0.99784       -1.52195        3.80848
H          1.10233        0.97738        3.16674
H          2.36695        0.11045        2.28191
H         -3.22348       -2.88334       -0.74572
H         -2.31052       -3.79861       -2.79498
H          1.28698       -0.56343       -4.42887
C          2.62256       -1.16290       -2.13484
H          3.26905       -1.15304       -3.01695
H          2.64392       -0.15733       -1.70806
H          3.06754       -1.84116       -1.40418
71
TS1-Si m062x/cc-pVTZ
Si         0.13530        0.60498        1.25860
P          0.15922       -1.46870        1.88002
C          1.75302        1.25780        0.86575
C         -1.43163        1.39963        0.95117
B         -0.31784       -1.11758       -1.35324
C          0.00693       -2.83569        0.67559
C          1.77745       -1.75132        2.66620
C         -1.13043       -1.78334        3.12807
C          2.87104        1.67252        0.61598
C         -2.52381        1.89777        0.74565
C         -0.12662       -2.54283       -0.68125
C         -1.81808       -0.63803       -1.59385
C          0.84932       -0.57777       -2.28247
C          0.08037       -4.15193        1.13883
H          1.89777       -2.80611        2.90613
H         -2.08385       -1.44171        2.72711
Si         4.53280        2.16770       -0.00511
Si        -4.18169        2.52828        0.25062
C         -0.16294       -3.63870       -1.56016
H         -1.85515        0.45024       -1.49613
C         -2.84459       -1.24283       -0.63702
C         -2.21772       -0.98139       -3.04196
H          0.63189       -1.11474       -3.22353
C          0.77932        0.91790       -2.59828
H          0.18825       -4.35570        2.19816
C          0.02624       -5.20965        0.25123
C          5.21127        3.57381        1.02894
C          4.34258        2.69109       -1.79305
C          5.63407        0.65584        0.12573
C         -5.46920        1.50280        1.14693
C         -4.35523        2.32776       -1.60534
C         -4.31933        4.33387        0.72706
H         -0.24722       -3.45884       -2.62573
C         -0.09130       -4.94472       -1.10858
H         -2.90161       -2.32721       -0.76147
H         -2.59678       -1.03592        0.40507
H         -1.57021       -0.49804       -3.77343
H         -2.17892       -2.06010       -3.21631
H          1.00855        1.50496       -1.70724
H         -0.20898        1.21670       -2.94946
H          0.08437       -6.22766        0.61056
H          4.54925        4.43874        0.98655
H          6.19395        3.87910        0.66595
H          5.30963        3.27539        2.07264
H          3.94501        1.86597       -2.38515
H          5.30154        2.99240       -2.21760
H          3.65042        3.52903       -1.87928
H          5.72037        0.32562        1.16121
H          6.63611        0.87503       -0.24612
H          5.22408       -0.16589       -0.46265
H         -5.35588        0.44562        0.90518
H         -6.47529        1.81234        0.85991
H         -5.37126        1.61734        2.22650
H         -3.57324        2.88229       -2.12523
H         -5.32315        2.69594       -1.94961
H         -4.26643        1.27827       -1.88944
H         -4.20794        4.46006        1.80383
H         -5.29030        4.73535        0.43289
H         -3.54465        4.92271        0.23588
H         -0.12385       -5.76194       -1.81692
H         -0.89796       -1.21419        4.02499
H         -1.19636       -2.84639        3.35283
H          1.85409       -1.13921        3.56163
H          2.54967       -1.44948        1.95886
H         -3.84352       -0.83599       -0.81857
H         -3.24400       -0.66262       -3.23998
H          1.50455        1.18995       -3.36897
C          2.26250       -0.98718       -1.86129
H          3.00216       -0.66192       -2.59798
H          2.52335       -0.52787       -0.90677
H          2.35332       -2.06900       -1.75318
71
INT1-Si m062x/cc-pVTZ
Si        -0.00920        0.54290        2.33008
P          1.03539       -1.54067        1.83577
C          1.13493        1.52443        1.22509
C         -1.58503        0.63464        1.34572
B         -0.30885       -1.31666       -1.28317
C          1.37816       -2.59429        0.36494
C          2.71478       -1.11253        2.42158
C          0.42630       -2.73108        3.08263
C          1.90635        2.28211        0.66617
C         -2.69818        0.89946        0.93106
C          0.80048       -2.36474       -0.88634
C         -1.81594       -1.72221       -1.03251
C          0.07629       -0.13658       -2.26094
C          2.28233       -3.64676        0.54251
H          3.30300       -2.00574        2.61868
H         -0.56129       -3.08338        2.79109
Si         2.99338        3.41794       -0.29557
Si        -4.34774        1.37064        0.25574
C          1.18042       -3.21307       -1.93940
H         -2.41209       -0.81880       -0.93333
C         -2.07594       -2.60308        0.18696
C         -2.29154       -2.44789       -2.30919
H         -0.17614       -0.59786       -3.23335
C         -0.78154        1.12704       -2.13181
H          2.72954       -3.82390        1.51232
C          2.62320       -4.48125       -0.50540
C          3.59529        4.79041        0.82852
C          1.98091        4.11870       -1.70681
C          4.44901        2.43265       -0.94873
C         -5.57445        1.45341        1.66889
C         -4.91060        0.08608       -0.99310
C         -4.17110        3.04171       -0.57084
H          0.76665       -3.04481       -2.92770
C          2.06871       -4.25758       -1.75843
H         -1.48874       -3.52415        0.14581
H         -1.83351       -2.07356        1.10939
H         -2.20750       -1.81806       -3.19599
H         -1.72064       -3.36334       -2.48387
H         -0.56583        1.63800       -1.19166
H         -1.84907        0.90147       -2.14776
H          3.32043       -5.29255       -0.34839
H          2.75465        5.35084        1.23749
H          4.23438        5.48434        0.28019
H          4.16819        4.38521        1.66267
H          1.60124        3.31503       -2.33819
H          2.58142        4.78905       -2.32367
H          1.12600        4.67681       -1.32423
H          5.01330        1.98693       -0.12895
H          5.12413        3.07827       -1.51279
H          4.11413        1.63135       -1.60776
H         -5.66898        0.48276        2.15595
H         -6.55972        1.75198        1.30740
H         -5.25111        2.17607        2.41799
H         -4.29028        0.09604       -1.89029
H         -5.93953        0.29257       -1.29329
H         -4.87538       -0.91837       -0.56860
H         -3.85116        3.79486        0.14923
H         -5.11958        3.36232       -1.00450
H         -3.42620        2.99848       -1.36600
H          2.33324       -4.89347       -2.59260
H          0.35561       -2.22029        4.04122
H          1.09949       -3.58253        3.16344
H          2.62787       -0.52076        3.33158
H          3.19835       -0.50961        1.65476
H         -3.13055       -2.88391        0.24546
H         -3.34003       -2.73374       -2.20142
H         -0.57138        1.81895       -2.95036
C          1.56406        0.21993       -2.30523
H          1.76353        0.97046       -3.07404
H          1.87790        0.63153       -1.34507
H          2.18752       -0.64900       -2.51729
71
TS2-Si m062x/cc-pVTZ
Si         0.27217       -0.87415        2.03067
P         -0.70815        1.22598        2.00912
C         -1.29676       -1.41450        1.15995
C          1.38550       -0.41738        0.44795
B          0.82826        0.67408       -1.08081
C         -1.22370        1.84359        0.38261
C         -2.21606        1.08951        3.02833
C          0.23024        2.52728        2.87874
C         -2.37058       -1.75431        0.70023
C          2.55355       -0.80551        0.38894
C         -0.58204        1.45069       -0.80844
C          2.06924        1.72774       -1.22390
C          0.74983       -0.41933       -2.28184
C         -2.35009        2.67347        0.38222
H         -2.59722        2.06904        3.30984
H          1.21306        2.64993        2.43502
Si        -3.94168       -2.03046       -0.22178
Si         4.34286       -1.33053        0.44793
C         -1.18585        1.94354       -1.98207
H          2.97374        1.12601       -1.34769
C          2.29994        2.64055       -0.02290
C          1.93285        2.59343       -2.48237
H          0.40730        0.16840       -3.14149
C          2.08122       -1.02161       -2.72360
H         -2.81835        2.95344        1.31694
C         -2.89380        3.14362       -0.79685
C         -5.27691       -2.57970        0.97377
C         -3.64654       -3.34038       -1.52636
C         -4.38719       -0.38416       -0.99901
C          4.82253       -1.18591        2.25097
C          5.32332       -0.15564       -0.62527
C          4.48419       -3.09537       -0.14930
H         -0.75516        1.68742       -2.93875
C         -2.30289        2.76130       -1.99026
H          1.41007        3.24277        0.18416
H          2.54244        2.06225        0.87082
H          1.78066        1.99332       -3.38162
H          1.09266        3.28536       -2.39617
H          2.51479       -1.63623       -1.93073
H          2.81041       -0.25905       -3.00173
H         -3.76532        3.78331       -0.78325
H         -5.00559       -3.52008        1.45353
H         -6.22452       -2.72361        0.45242
H         -5.42981       -1.83406        1.75462
H         -2.84403       -3.03730       -2.19891
H         -4.54869       -3.50481       -2.11766
H         -3.36235       -4.28618       -1.06487
H         -4.58521        0.36135       -0.22697
H         -5.27237       -0.46563       -1.63187
H         -3.55853       -0.01217       -1.60483
H          4.73944       -0.15279        2.58866
H          5.85178       -1.51517        2.40048
H          4.17282       -1.79957        2.87534
H          5.01453       -0.22951       -1.66808
H          6.38473       -0.40211       -0.56377
H          5.19012        0.87645       -0.30019
H          3.84043       -3.75358        0.43406
H          5.51276       -3.44383       -0.04272
H          4.20267       -3.18394       -1.19813
H         -2.71093        3.09909       -2.93395
H          0.33976        2.22585        3.92017
H         -0.31188        3.47089        2.82421
H         -1.96001        0.53587        3.93167
H         -2.96695        0.53263        2.47280
H          3.12513        3.33528       -0.20235
H          2.83272        3.19483       -2.63394
H          1.94246       -1.67516       -3.58845
C         -0.28107       -1.52788       -2.07978
H         -0.38428       -2.14043       -2.97977
H          0.00724       -2.18721       -1.25839
H         -1.26005       -1.11740       -1.82750
71
INT2-Si m062x/cc-pVTZ
Si         0.75688       -1.43576        1.39713
P         -0.24881        0.48241        2.16205
C         -0.81251       -1.85792        0.50335
C          1.37821        0.04431       -0.24351
B          0.69847        1.27093       -1.00639
C         -1.08489        1.63569        1.02929
C         -1.54045       -0.16151        3.28210
C          0.83445        1.41574        3.29193
C         -1.93998       -2.06096        0.09565
C          2.17842       -0.85016        0.10728
C         -0.64675        1.84944       -0.28928
C          1.91806        2.41390       -0.98892
C          0.40349        0.75506       -2.54970
C         -2.22028        2.27419        1.54617
H         -1.90680        0.61433        3.95072
H          1.72257        1.75590        2.76896
Si        -3.65257       -2.04436       -0.59776
Si         3.84552       -1.69987        0.08211
C         -1.44677        2.72215       -1.04727
H          2.79482        1.93083       -1.43334
C          2.32945        2.87477        0.40631
C          1.59357        3.63916       -1.84450
H          0.03635        1.62870       -3.09737
C          1.65098        0.27320       -3.29117
H         -2.53784        2.09704        2.56474
C         -2.96384        3.13750        0.76657
C         -4.72500       -3.21873        0.39416
C         -3.58367       -2.57641       -2.38932
C         -4.26362       -0.28219       -0.41187
C          4.52192       -1.65896        1.82448
C          4.91350       -0.70844       -1.08802
C          3.57400       -3.45199       -0.50516
H         -1.17123        2.91215       -2.07548
C         -2.57232        3.35228       -0.54773
H          1.47446        3.28493        0.95332
H          2.74672        2.04801        0.98590
H          1.32399        3.37073       -2.86683
H          0.76460        4.20689       -1.41583
H          2.09356       -0.58828       -2.78130
H          2.41573        1.04756       -3.36557
H         -3.83954        3.62354        1.17389
H         -4.35230       -4.24051        0.32207
H         -5.75173       -3.20405        0.02519
H         -4.73959       -2.93789        1.44765
H         -2.94129       -1.91260       -2.96700
H         -4.58241       -2.56053       -2.82858
H         -3.19017       -3.58954       -2.47378
H         -4.35040       -0.01783        0.64357
H         -5.24289       -0.15174       -0.87535
H         -3.56606        0.42286       -0.86853
H          4.62603       -0.63023        2.17215
H          5.50405       -2.13220        1.86516
H          3.85885       -2.18670        2.51031
H          4.47864       -0.68382       -2.08721
H          5.91394       -1.13813       -1.15729
H          5.00526        0.31960       -0.73530
H          2.88594       -3.97745        0.15850
H          4.51416       -4.00474       -0.52535
H          3.14987       -3.45915       -1.50950
H         -3.14802        4.01119       -1.18471
H          1.12246        0.75710        4.11052
H          0.29324        2.27777        3.68045
H         -1.10358       -0.96402        3.87495
H         -2.35698       -0.56207        2.68489
H          3.09186        3.65743        0.36305
H          2.45281        4.31333       -1.89635
H          1.40634       -0.04734       -4.30724
C         -0.67737       -0.31924       -2.64281
H         -0.93252       -0.53820       -3.68426
H         -0.34171       -1.25137       -2.18213
H         -1.59083       -0.01793       -2.12513
