65
[SnA2], C2; B3PW91-D3BJ/def2TZVPD; ?Gø = -2083.340663 au
C	-1.199787	1.555046	-0.074671
C	0.000000	2.376255	-0.039165
C	0.574755	2.916829	1.074132
H	0.569490	2.424313	-0.965448
C	-0.574755	-2.916829	1.074132
C	0.000000	-2.376255	-0.039165
C	1.199787	-1.555046	-0.074671
H	-0.569490	-2.424313	-0.965448
H	-0.013556	2.890171	1.994446
H	-1.892340	1.801788	0.737230
H	1.892340	-1.801788	0.737230
H	0.013556	-2.890171	1.994446
Si	2.230692	3.761259	1.123671
Si	-2.103264	1.289715	-1.682777
Si	2.103264	-1.289715	-1.682777
Si	-2.230692	-3.761259	1.123671
C	-2.779743	-0.452775	-1.811605
C	2.779743	0.452775	-1.811605
C	-3.555509	2.479398	-1.755306
C	3.555509	-2.479398	-1.755306
C	-0.958553	1.655930	-3.123531
C	0.958553	-1.655930	-3.123531
C	2.081770	5.330995	2.140358
C	-2.081770	-5.330995	2.140358
C	3.485836	2.625439	1.937589
C	-3.485836	-2.625439	1.937589
C	2.789482	4.179649	-0.615492
C	-2.789482	-4.179649	-0.615492
H	-4.258887	2.289164	-0.940213
H	-3.216722	3.514662	-1.668066
H	-4.102988	2.381011	-2.696645
H	-3.430239	-0.562232	-2.682975
H	-1.975018	-1.183014	-1.899443
H	-3.363065	-0.707357	-0.923466
H	-0.708983	2.719363	-3.156509
H	-0.024723	1.095155	-3.070687
H	-1.443049	1.400259	-4.069321
H	1.732121	5.110473	3.152337
H	3.046159	5.838667	2.224866
H	1.372272	6.026613	1.685920
H	2.061878	4.820417	-1.119233
H	3.742464	4.714439	-0.586082
H	2.933786	3.284654	-1.223396
H	3.162928	2.351540	2.945154
H	3.596764	1.702534	1.363335
H	4.468294	3.098960	2.014480
H	-4.468294	-3.098960	2.014480
H	-3.162928	-2.351540	2.945154
H	-3.596764	-1.702534	1.363335
H	-2.933786	-3.284654	-1.223396
H	-2.061878	-4.820417	-1.119233
H	-3.742464	-4.714439	-0.586082
H	4.102988	-2.381011	-2.696645
H	4.258887	-2.289164	-0.940213
H	3.216722	-3.514662	-1.668066
H	1.975018	1.183014	-1.899443
H	3.363065	0.707357	-0.923466
H	3.430239	0.562232	-2.682975
H	0.024723	-1.095155	-3.070687
H	1.443049	-1.400259	-4.069321
H	0.708983	-2.719363	-3.156509
H	-3.046159	-5.838667	2.224866
H	-1.372272	-6.026613	1.685920
H	-1.732121	-5.110473	3.152337
Sn	0.000000	0.000000	1.212694

33
[?SnA?3], C1; B3PW91-D3BJ/def2TZVPD; ?Gø= -1148.882341 au
C	-1.249861	0.349432	-0.801921
C	0.000001	0.753877	-0.285755
Sn	-0.000001	-1.624790	0.005392
H	-1.251092	0.042797	-1.849132
C	1.249862	0.349425	-0.801920
H	1.251093	0.042795	-1.849132
H	0.000002	1.212137	0.702223
Si	2.881894	0.772198	-0.013343
Si	-2.881894	0.772199	-0.013343
C	2.590202	1.188545	1.790995
H	2.071282	0.374557	2.303976
H	3.541725	1.354850	2.302390
H	1.992842	2.096368	1.906086
C	4.030775	-0.701884	-0.156789
H	5.030266	-0.464251	0.216717
H	3.648048	-1.550208	0.416069
H	4.129777	-1.020033	-1.197905
C	3.658424	2.241199	-0.886932
C	-4.030773	-0.701881	-0.156820
H	-4.129712	-1.020054	-1.197935
H	-3.648081	-1.550193	0.416080
H	-5.030286	-0.464239	0.216621
C	-2.590206	1.188517	1.791003
H	-3.541731	1.354839	2.302392
H	-2.071310	0.374511	2.303978
H	-1.992827	2.096325	1.906110
C	-3.658419	2.241217	-0.886907
H	-3.011060	3.119385	-0.825056
H	-3.825948	2.024180	-1.945015
H	-4.623185	2.499992	-0.442004
H	4.623203	2.499963	-0.442051
H	3.011080	3.119378	-0.825073
H	3.825927	2.024152	-1.945042

32
[?A?], C1; B3PW91-D3BJ/def2TZVPD; ?Gø = -934.423068 au
C	1.233671	-0.868631	-0.000926
C	-0.000001	-0.236409	-0.000398
C	-1.233673	-0.868632	-0.000986
C	3.846794	-0.525452	-1.527994
C	2.631330	1.844460	0.001950
C	3.846661	-0.528820	1.526934
C	-3.847351	-0.526556	-1.527292
C	-2.631334	1.844460	0.000586
C	-3.846097	-0.527718	1.527645
H	1.209894	-1.959616	-0.001899
H	-0.000002	0.852970	0.000561
H	-1.209896	-1.959616	-0.001980
H	4.838380	-0.064739	-1.537057
H	3.324993	-0.225347	-2.439681
H	3.981500	-1.609592	-1.560800
H	2.079739	2.172066	0.886481
H	2.079872	2.173891	-0.881989
H	3.595714	2.358992	0.002545
H	3.324858	-0.230592	2.439236
H	4.838327	-0.068302	1.537043
H	3.981177	-1.613053	1.557416
H	-3.326085	-0.226768	-2.439390
H	-4.839094	-0.066176	-1.536129
H	-3.981719	-1.610758	-1.559456
H	-2.079638	2.172676	0.884827
H	-3.595717	2.358992	0.000958
H	-2.079981	2.173280	-0.883644
H	-3.980667	-1.611920	1.558950
H	-4.837727	-0.067124	1.537835
H	-3.323897	-0.228879	2.439521
Si	2.883740	-0.012878	-0.000004
Si	-2.883742	-0.012879	-0.000029

17
[SnMe4], T symm; B3PW91-D3BJ/def2TZVPD(Sn);def2SVPD(C,H); ?Gø = -373.827236 au
Sn	0.000000	0.000000	0.000000
C	-1.239585	1.239585	1.239585
H	-1.881424	0.619068	1.879791
H	-0.619068	1.879791	1.881424
H	-1.879791	1.881424	0.619068
C	1.239585	-1.239585	1.239585
H	0.619068	-1.879791	1.881424
H	1.879791	-1.881424	0.619068
H	1.881424	-0.619068	1.879791
C	-1.239585	-1.239585	-1.239585
H	-1.881424	-0.619068	-1.879791
H	-0.619068	-1.879791	-1.881424
H	-1.879791	-1.881424	-0.619068
C	1.239585	1.239585	-1.239585
H	1.879791	1.881424	-0.619068
H	1.881424	0.619068	-1.879791
H	0.619068	1.879791	-1.881424

13
[?SnMe3], C1; B3PW91-D3BJ/def2TZVPD(Sn);def2SVPD(C,H); ?Gø = -333.948505 au
Sn	0.000000	0.000000	0.295936
C	-0.663955	1.903487	-0.498402
H	-1.688833	2.124096	-0.173177
H	0.000000	2.714052	-0.171370
H	-0.642442	1.845316	-1.597314
C	-1.316490	-1.526746	-0.498402
H	-1.276869	-1.479029	-1.597314
H	-0.995105	-2.524620	-0.173177
H	-2.350438	-1.357026	-0.171370
C	1.980446	-0.376741	-0.498402
H	2.683937	0.400524	-0.173177
H	2.350438	-1.357026	-0.171370
H	1.919311	-0.366287	-1.597314

4
[?CH3], D3H; B3PW91-D3BJ/def2SVPD(C,H); ?Gø = -39.787990 au
C	0.000000	0.000000	0.000000
H	0.000000	1.088990	0.000000
H	0.943093	-0.544495	0.000000
H	-0.943093	-0.544495	0.000000

33
[Sn(C3H5)4], D2; B3PW91-D3BJ/def2TZVPD(Sn);def2SVPD(C,H); ?Gø = -682.992897 au
C	1.307825	1.255625	1.190657
C	1.951950	2.235886	0.282936
C	3.169524	2.122723	-0.265604
C	1.307825	-1.255625	-1.190657
C	1.951950	-2.235886	-0.282936
C	3.169524	-2.122723	0.265604
C	-1.307825	-1.255625	1.190657
C	-1.951950	-2.235886	0.282936
C	-3.169524	-2.122723	-0.265604
C	-1.307825	1.255625	-1.190657
C	-1.951950	2.235886	-0.282936
C	-3.169524	2.122723	0.265604
H	2.034099	0.584301	1.668117
H	1.345740	3.108097	0.012185
H	3.823077	1.278900	-0.032962
H	2.034099	-0.584301	-1.668117
H	1.345740	-3.108097	-0.012185
H	3.823077	-1.278900	0.032962
H	-2.034099	-0.584301	1.668117
H	-1.345740	-3.108097	0.012185
H	-3.823077	-1.278900	-0.032962
H	-2.034099	0.584301	-1.668117
H	-1.345740	3.108097	-0.012185
H	-3.823077	1.278900	0.032962
Sn	0.000000	0.000000	0.000000
H	-3.552125	2.875218	0.955862
H	3.552125	2.875218	-0.955862
H	3.552125	-2.875218	0.955862
H	-3.552125	-2.875218	-0.955862
H	0.695265	1.737577	1.963933
H	0.695265	-1.737577	-1.963933
H	-0.695265	-1.737577	1.963933
H	-0.695265	1.737577	-1.963933

25
[?Sn(C3H5)3], C1; B3PW91-D3BJ/def2TZVPD(Sn);def2SVPD(C,H); ?Gø = -565.824339 au
C	1.843111	-0.306770	1.054461
C	2.983910	0.330403	0.361565
C	4.092930	-0.287597	-0.068805
C	-0.313458	1.339564	-1.224986
C	-0.088575	2.324563	-0.150142
C	-1.011717	2.781573	0.714518
C	-1.632538	-0.940389	1.003542
C	-2.866835	-1.090231	0.204441
C	-3.777088	-0.134959	-0.034988
H	2.102291	-1.283991	1.482851
H	2.885968	1.403617	0.163493
H	4.252447	-1.356020	0.096966
H	-1.361660	1.274091	-1.544764
H	0.941153	2.677335	-0.030091
H	-2.055980	2.470567	0.649856
H	-1.646428	-0.046244	1.644287
H	-3.020614	-2.071969	-0.258558
H	-3.689062	0.862873	0.400260
Sn	0.127541	-0.628738	-0.307391
H	-4.646077	-0.326999	-0.665376
H	4.876334	0.257763	-0.596448
H	-0.748060	3.490446	1.499871
H	1.422437	0.334020	1.844293
H	0.343288	1.479408	-2.090948
H	-1.411523	-1.824916	1.616223

8
[?C3H5], C2; B3PW91-D3BJ/def2SVPD(C,H); ?Gø = -117.103765 au
C	0.000000	1.229904	-0.196654
C	0.000000	0.000000	0.443313
C	0.000000	-1.229904	-0.196654
H	-0.000387	1.296675	-1.286752
H	0.000000	0.000000	1.538932
H	0.000387	-1.296675	-1.286752
H	0.000076	-2.162974	0.367271
H	-0.000076	2.162974	0.367271

57
[Sn((SiH3)2C3H3)4], D2; B3PW91-D3BJ/def2TZVPD(Sn,Si);def2SVPD(C,H); ?Gø = -3008.367353 au
C	1.315695	1.244738	1.200852
C	1.915582	2.197328	0.232793
C	3.076558	2.039972	-0.436025
C	1.315695	-1.244738	-1.200852
C	1.915582	-2.197328	-0.232793
C	3.076558	-2.039972	0.436025
C	-1.315695	-1.244738	1.200852
C	-1.915582	-2.197328	0.232793
C	-3.076558	-2.039972	-0.436025
C	-1.315695	1.244738	-1.200852
C	-1.915582	2.197328	-0.232793
C	-3.076558	2.039972	0.436025
H	2.056581	0.513743	1.558475
H	1.315881	3.090605	0.018247
H	3.673804	1.146727	-0.219515
H	2.056581	-0.513743	-1.558475
H	1.315881	-3.090605	-0.018247
H	3.673804	-1.146727	0.219515
H	-2.056581	-0.513743	1.558475
H	-1.315881	-3.090605	0.018247
H	-3.673804	-1.146727	-0.219515
H	-2.056581	0.513743	-1.558475
H	-1.315881	3.090605	-0.018247
H	-3.673804	1.146727	0.219515
Si	0.412297	2.022702	2.648780
Si	3.667435	3.238144	-1.716586
Si	0.412297	-2.022702	-2.648780
Si	3.667435	-3.238144	1.716586
Si	-0.412297	-2.022702	2.648780
Si	-3.667435	-3.238144	-1.716586
Si	-0.412297	2.022702	-2.648780
Si	-3.667435	3.238144	1.716586
Sn	0.000000	0.000000	0.000000
H	2.741296	4.401045	-1.751903
H	2.741296	-4.401045	1.751903
H	-2.741296	-4.401045	-1.751903
H	-2.741296	4.401045	1.751903
H	5.046474	3.714888	-1.419112
H	5.046474	-3.714888	1.419112
H	-5.046474	-3.714888	-1.419112
H	-5.046474	3.714888	1.419112
H	3.698151	2.602305	-3.064424
H	3.698151	-2.602305	3.064424
H	-3.698151	-2.602305	-3.064424
H	-3.698151	2.602305	3.064424
H	0.138156	3.333250	-2.216669
H	-0.138156	3.333250	2.216669
H	-0.138156	-3.333250	-2.216669
H	0.138156	-3.333250	2.216669
H	0.717429	1.172393	-3.109254
H	-0.717429	1.172393	3.109254
H	-0.717429	-1.172393	-3.109254
H	0.717429	-1.172393	3.109254
H	-1.331912	2.239920	-3.797383
H	1.331912	2.239920	3.797383
H	1.331912	-2.239920	-3.797383
H	-1.331912	-2.239920	3.797383

43
[?Sn((SiH3)2C3H3)3], C1; B3PW91-D3BJ/def2TZVPD(Sn,Si);def2SVPD(C,H); ?Gø = -2309.856621 au
C	1.701213	-1.183438	0.818471
C	2.882441	-0.459953	0.291054
C	3.873413	-0.972727	-0.466618
C	-0.054743	1.354173	-1.012364
C	0.171883	1.918507	0.328992
C	-0.783111	2.199364	1.248888
C	-1.887588	-1.189584	0.432346
C	-2.972786	-0.774166	-0.477665
C	-3.777061	0.300453	-0.330932
H	-3.645100	0.917313	0.565360
H	0.868276	3.295059	-2.770955
H	1.841524	-2.272565	0.745869
H	2.920174	0.610493	0.527467
H	3.834650	-2.041751	-0.708757
H	-1.107661	1.446238	-1.321503
H	1.218599	2.100057	0.602115
H	-1.822851	2.012111	0.960437
H	-1.817074	-0.533798	1.313593
H	-3.114680	-1.405839	-1.365180
H	1.645894	0.684799	2.825950
H	2.514348	1.759436	-1.897071
H	-0.632300	-3.360944	1.584774
H	-0.172594	-0.900898	2.892249
H	0.921704	1.008479	-3.561383
H	-3.025333	-3.263300	1.914493
H	2.038897	-1.592058	3.532314
H	5.097000	1.454063	-0.607829
H	1.013070	3.250723	3.019625
H	-5.066092	-0.230035	-2.668480
H	6.581994	-0.461337	-0.724750
H	-1.242068	4.139433	3.141265
H	-6.435629	0.783634	-0.938924
H	5.226947	0.109723	-2.620781
H	-0.782078	1.946734	4.001813
H	-4.831783	2.120112	-2.120154
H	-2.117070	-3.832599	-0.257062
Si	1.271401	-0.732001	2.589644
Si	5.250472	0.069461	-1.130984
Si	1.112120	1.880956	-2.372313
Si	-0.430522	2.910259	2.920524
Si	-1.926605	-2.984263	0.951230
Si	-5.081444	0.761933	-1.558851
Sn	0.048627	-0.831758	-0.612940

14
[?(SiH3)2C3H3)], CS; B3PW91-D3BJ/def2TZVPD(Si);def2SVPD(C,H); ?Gø = -698.445588 au
C	0.000003	-0.634087	1.237522
H	0.000042	-1.730932	1.225631
C	-0.000025	0.006529	0.000000
H	-0.000078	1.103964	0.000000
C	0.000003	-0.634087	-1.237522
H	0.000042	-1.730932	-1.225631
Si	0.000003	0.248888	2.864989
H	-1.200592	-0.118962	3.667191
H	1.201008	-0.118333	3.666870
H	-0.000395	1.716742	2.624878
Si	0.000003	0.248888	-2.864989
H	-0.000395	1.716742	-2.624878
H	1.201008	-0.118333	-3.666870
H	-1.200592	-0.118962	-3.667191

129
[SnA?4], D2; B3PW91-D3BJ/def2TZVPD(Sn,Si);def2SVPD(C,H); ?Gø = -3950.784831 au
C	1.336347	1.197612	1.220244
C	2.245783	1.938410	0.309630
C	3.567009	1.725621	0.152471
C	1.898090	2.406698	3.913301
C	0.321029	4.039679	1.897381
C	-0.997591	1.670656	3.271142
C	6.205634	3.194413	-0.198939
C	3.733103	4.087355	-1.777768
C	5.124571	1.432869	-2.438823
C	1.336347	-1.197612	-1.220244
C	2.245783	-1.938410	-0.309630
C	3.567009	-1.725621	-0.152471
C	1.898090	-2.406698	-3.913301
C	-0.997591	-1.670656	-3.271142
C	0.321029	-4.039679	-1.897381
C	5.124571	-1.432869	2.438823
C	6.205634	-3.194413	0.198939
C	3.733103	-4.087355	1.777768
C	-1.336347	-1.197612	1.220244
C	-2.245783	-1.938410	0.309630
C	-3.567009	-1.725621	0.152471
C	0.997591	-1.670656	3.271142
C	-0.321029	-4.039679	1.897381
C	-1.898090	-2.406698	3.913301
C	-5.124571	-1.432869	-2.438823
C	-3.733103	-4.087355	-1.777768
C	-6.205634	-3.194413	-0.198939
C	-1.336347	1.197612	-1.220244
C	-2.245783	1.938410	-0.309630
C	-3.567009	1.725621	-0.152471
C	0.997591	1.670656	-3.271142
C	-1.898090	2.406698	-3.913301
C	-0.321029	4.039679	-1.897381
C	-3.733103	4.087355	1.777768
C	-6.205634	3.194413	0.198939
C	-5.124571	1.432869	2.438823
H	1.917437	0.424380	1.746435
H	1.775548	2.728988	-0.289133
H	4.014056	0.933488	0.767209
H	1.917437	-0.424380	-1.746435
H	1.775548	-2.728988	0.289133
H	4.014056	-0.933488	-0.767209
H	-1.917437	-0.424380	1.746435
H	-1.775548	-2.728988	-0.289133
H	-4.014056	-0.933488	0.767209
H	-1.917437	0.424380	-1.746435
H	-1.775548	2.728988	0.289133
H	-4.014056	0.933488	-0.767209
H	2.062239	-1.423008	-4.379466
H	1.602749	-3.112062	-4.705824
H	2.860808	-2.743012	-3.497356
H	-1.787064	-1.619182	-2.507846
H	-1.344310	-2.349489	-4.065970
H	-0.888055	-0.671476	-3.714512
H	1.258374	-4.486588	-1.533135
H	-0.068191	-4.683912	-2.701245
H	-0.406805	-4.065136	-1.075002
H	5.673639	-0.566296	2.037704
H	5.772294	-1.924102	3.182371
H	4.234612	-1.051298	2.962119
H	5.971408	-3.910564	-0.604004
H	6.895765	-3.685318	0.903240
H	6.739257	-2.344715	-0.255902
H	2.832416	-3.783234	2.329776
H	4.381830	-4.636836	2.477963
H	3.424763	-4.787104	0.985523
H	1.787064	-1.619182	2.507846
H	1.344310	-2.349489	4.065970
H	0.888055	-0.671476	3.714512
H	-1.258374	-4.486588	1.533135
H	0.068191	-4.683912	2.701245
H	0.406805	-4.065136	1.075002
H	-2.062239	-1.423008	4.379466
H	-1.602749	-3.112062	4.705824
H	-2.860808	-2.743012	3.497356
H	-5.673639	-0.566296	-2.037704
H	-5.772294	-1.924102	-3.182371
H	-4.234612	-1.051298	-2.962119
H	-2.832416	-3.783234	-2.329776
H	-4.381830	-4.636836	-2.477963
H	-3.424763	-4.787104	-0.985523
H	-5.971408	-3.910564	0.604004
H	-6.895765	-3.685318	-0.903240
H	-6.739257	-2.344715	0.255902
H	1.787064	1.619182	-2.507846
H	1.344310	2.349489	-4.065970
H	0.888055	0.671476	-3.714512
H	-2.062239	1.423008	-4.379466
H	-1.602749	3.112062	-4.705824
H	-2.860808	2.743012	-3.497356
H	-1.258374	4.486588	-1.533135
H	0.068191	4.683912	-2.701245
H	0.406805	4.065136	-1.075002
H	-2.832416	3.783234	2.329776
H	-4.381830	4.636836	2.477963
H	-3.424763	4.787104	0.985523
H	-5.971408	3.910564	-0.604004
H	-6.895765	3.685318	0.903240
H	-6.739257	2.344715	-0.255902
H	-5.673639	0.566296	2.037704
H	-5.772294	1.924102	3.182371
H	-4.234612	1.051298	2.962119
H	1.602749	3.112062	4.705824
H	2.860808	2.743012	3.497356
H	2.062239	1.423008	4.379466
H	-0.406805	4.065136	1.075002
H	1.258374	4.486588	1.533135
H	-0.068191	4.683912	2.701245
H	-1.787064	1.619182	2.507846
H	-1.344310	2.349489	4.065970
H	-0.888055	0.671476	3.714512
H	5.971408	3.910564	0.604004
H	6.895765	3.685318	-0.903240
H	6.739257	2.344715	0.255902
H	2.832416	3.783234	-2.329776
H	4.381830	4.636836	-2.477963
H	3.424763	4.787104	-0.985523
H	5.673639	0.566296	-2.037704
H	5.772294	1.924102	-3.182371
H	4.234612	1.051298	-2.962119
Si	0.610733	2.311771	2.556262
Si	4.645801	2.616251	-1.062559
Si	0.610733	-2.311771	-2.556262
Si	4.645801	-2.616251	1.062559
Si	-0.610733	-2.311771	2.556262
Si	-4.645801	-2.616251	-1.062559
Si	-0.610733	2.311771	-2.556262
Si	-4.645801	2.616251	1.062559
Sn	0.000000	0.000000	0.000000

97
[?SnA?3],from D2,C1; B3PW91-D3BJ/def2TZVPD(Sn,Si);def2SVPD(C,H); ?Gø = -3016.720277 au
C	-0.153242	-1.173813	-1.175284
C	-0.681977	-1.791652	0.058806
C	-3.675472	 0.713178	-0.383832
C	4.337023	0.965667	0.001502
H	-0.976603	-0.991963	 -1.883951
H	0.06822	-2.071528	0.804946
H	-3.738732	0.39844	0.664252
H	 4.350189	2.05578	0.129012
C	-1.452954	1.761242	0.161113
C	1.978028	0.916561	0.929485
C	-2.567882	1.391759	-0.740244
C	3.213245	0.319384	0.368911
C	-1.980165	-2.038892	0.334534
H	-1.594245	1.292573	1.144278
H	2.126607	1.997207	1.071967
H	-2.471374	1.721832	-1.782162
H	3.186537	-0.767474	0.241966
H	-2.704987	-1.738236	-0.426748
Sn	0.412901	0.884923	-0.616998
Si	-2.627633	-2.84626	1.870385
Si	1.17752	-2.168527	-2.058752 
Si	5.830158	0.122107	-0.711425
Si	1.592852	0.21527	2.641421
Si	-1.336332	3.618454	0.40758
Si	-5.062299	0.258265	-1.525179
C	-4.633964	0.773283	-3.27373
H	-4.490475	1.860763	-3.346831
H	-3.711207	0.282533	-3.615129
H	-5.440602	0.493715	-3.965639
C	-5.339294	-1.597055	-1.459729
H	 -4.4806	-2.148405	-1.867373
H	-5.491931	-1.930921	-0.423528
H	-6.229746	-1.880737	-2.0384
C	-6.636922	1.111504	-0.97132
H	-6.523335	2.204148 	-1.012142
H	-7.488734	0.830354	-1.607826
H	-6.883713	0.837169	0.064748
C	-1.292711	4.466458	-1.259833
H	-1.183469	5.553809	-1.14109
H	-0.448505	4.104796	-1.864984
H	-2.218762	4.280597	-1.821372
C	0.205937	4.070671	1.37337
H	0.31236	3.459894	2.280107
H	1.113603	3.944003	0.767289
H	0.159605	5.12426	1.683331
C	-2.852003	4.15693	1.36271
H	-3.762294	3.817527	0.848593
H	-2.853245	3.718937	2.371465
H	-2.899274	5.250472	1.465316
C	-3.646197	-4.341621	1.380986
H	-4.097382	-4.822656	2.26109
H	-4.457725	-4.053333	0.69797
H	-3.021854	-5.085207	0.865387
C	-3.735232	 -1.648989	2.799512
H	-3.186431	-0.744372	3.0948
H	-4.58623	-1.341256	2.175623
H	-4.138258	-2.116712	3.70934
C	-1.207163	-3.380443	2.966647
H 	-1.588127	-3.891524	3.861829
H	-0.540613	-4.076329	2.438156
H	-0.607698	-2.524116	3.298877
C	2.076746	-3.260356	-0.832195
H	2.862234	-3.83803	-1.337842
H	2.552387	-2.694711	-0.023165
H	1.375112	-3.971831	-0.375333
C	0.308021	-3.271678	-3.297613
H	-0.211202	-2.673657	-4.06036
H	1.017926	-3.935485	-3.811886
H	-0.44021	-3.898034	-2.790581
C	2.376987	 -1.049531	-2.960664
H	3.11263	-1.641546	-3.523884
H	1.845384	-0.405162 	-3.675317
H	2.925437	-0.397542	-2.267207
C	6.114915	0.724654	-2.464018
H	5.255517	0.480644	-3.103914
H	6.25389	1.815298	-2.486306
H	7.01141 	0.260288	-2.900809
C	5.559493	-1.730335	-0.724803
H	5.367448	-2.118044	0.285528
H	4.708705	-2.00418	-1.361481
H	6.450459	-2.239462	-1.118041
C	7.334271	0.53479	0.3286
H	7.208676	0.170379	1.358262
H	8.242414	0.075906	-0.089026
H	7.494939	1.621839	0.372391
C	2.167099	-1.562917	2.756133
H	3.253098	-1.625811	2.60529
H	1.941067	-1.963807	3.753705
H	1.687204	-2.218969	2.02144
C	-0.211605	0.325712	3.124341
H	-0.345256	-0.084959	4.13506
H	-0.562785	1.365434	3.141242
H	-0.85188	-0.244585	2.440179
C	2.598826	1.237276	3.846464
H	2.512187	0.848365	4.871367
H	3.660604	1.222018	3.561636
H	2.263992	2.284392	3.850244

32
[?A?], C2; B3PW91-D3BJ/def2SVPD(C,H); ?Gø = -934.061376 au
C	0.000022	1.241995	0.885825
C	0.000000	0.000000	0.254374
C	-0.000022	-1.241995	0.885825
C	1.525166	3.851290	0.514785
C	-1.525725	3.850838	0.513974
C	0.000506	2.608444	-1.838484
C	-1.525166	-3.851290	0.514785
C	1.525725	-3.850838	0.513974
C	-0.000506	-2.608444	-1.838484
H	0.000030	1.225602	1.983409
H	0.000000	0.000000	-0.842189
H	-0.000030	-1.225602	1.983409
H	1.555472	3.999121	1.604072
H	1.531914	4.842819	0.038211
H	2.442068	3.321966	0.219106
H	-2.442306	3.321179	0.217901
H	-1.532570	4.842319	0.037298
H	-1.556604	3.998764	1.603231
H	0.890645	2.049262	-2.160582
H	0.000690	3.573188	-2.365106
H	-0.889501	2.049338	-2.161080
H	-1.555472	-3.999121	1.604072
H	-1.531914	-4.842819	0.038211
H	-2.442068	-3.321966	0.219106
H	2.442306	-3.321179	0.217901
H	1.532570	-4.842319	0.037298
H	1.556604	-3.998764	1.603231
H	-0.890645	-2.049262	-2.160582
H	-0.000690	-3.573188	-2.365106
H	0.889501	-2.049338	-2.161080
Si	0.000000	2.883228	0.013208
Si	0.000000	-2.883228	0.013208

129
[SnA?4], D2; B3PW91/def2TZVPD(Sn,Si);def2SVPD(C,H); ?Gø = -3950.512982 au
C	-1.358486	1.215529	1.232538
C	1.358486	-1.215529	1.232538
C	-2.291323	1.992127	0.364686
C	2.291323	-1.992127	0.364686
C	-3.628172	-1.833817	-0.268704
C	3.628172	1.833817	-0.268704
H	-1.935759	0.433726	1.751244
H	1.935759	-0.433726	1.751244
H	-1.828997	2.796572	-0.218728
H	1.828997	-2.796572	-0.218728
H	-4.067610	-1.025470	-0.867203
H	4.067610	1.025470	-0.867203
C	-1.358486	-1.215529	-1.232538
C	1.358486	1.215529	-1.232538
C	-2.291323	-1.992127	-0.364686
C	2.291323	1.992127	-0.364686
C	-3.628172	1.833817	0.268704
C	3.628172	-1.833817	0.268704
H	-1.935759	-0.433726	-1.751244
H	1.935759	0.433726	-1.751244
H	-1.828997	-2.796572	0.218728
H	1.828997	2.796572	0.218728
H	-4.067610	1.025470	0.867203
H	4.067610	-1.025470	0.867203
Si	-4.793455	2.882062	-0.741890
Si	0.691562	2.345293	-2.611563
Si	4.793455	2.882062	0.741890
Si	4.793455	-2.882062	-0.741890
Si	0.691562	-2.345293	2.611563
Si	-4.793455	-2.882062	0.741890
Si	-0.691562	-2.345293	-2.611563
Si	-0.691562	2.345293	2.611563
Sn	0.000000	0.000000	0.000000
C	-6.162633	3.512249	0.380800
H	-6.898421	4.101842	-0.186163
H	-6.698494	2.678258	0.857522
H	-5.758606	4.151293	1.179283
C	-5.570951	1.848589	-2.107363
H	-4.810337	1.478411	-2.809435
H	-6.099891	0.977518	-1.694050
H	-6.300229	2.440922	-2.679703
C	-3.888562	4.339967	-1.502530
H	-3.452635	4.990394	-0.730789
H	-3.079650	4.018156	-2.172814
H	-4.587325	4.947390	-2.095661
C	-2.000912	2.384949	3.957730
H	-1.731258	3.104812	4.744581
H	-2.973351	2.686305	3.542541
H	-2.128261	1.401384	4.431959
C	-0.448043	4.100969	1.992043
H	-1.393757	4.538800	1.645033
H	-0.073905	4.726600	2.815418
H	0.277300	4.169653	1.171614
C	0.930843	1.771932	3.365655
H	0.861362	0.770283	3.807753
H	1.746869	1.764295	2.630731
H	1.213839	2.466313	4.170583
C	5.570951	1.848589	2.107363
H	4.810337	1.478411	2.809435
H	6.099891	0.977518	1.694050
H	6.300229	2.440922	2.679703
C	6.162633	3.512249	-0.380800
H	5.758606	4.151293	-1.179283
H	6.898421	4.101842	0.186163
H	6.698494	2.678258	-0.857522
C	3.888562	4.339967	1.502530
H	3.452635	4.990394	0.730789
H	3.079650	4.018156	2.172814
H	4.587325	4.947390	2.095661
C	-0.930843	1.771932	-3.365655
H	-0.861362	0.770283	-3.807753
H	-1.746869	1.764295	-2.630731
H	-1.213839	2.466313	-4.170583
C	0.448043	4.100969	-1.992043
H	0.073905	4.726600	-2.815418
H	-0.277300	4.169653	-1.171614
H	1.393757	4.538800	-1.645033
C	2.000912	2.384949	-3.957730
H	1.731258	3.104812	-4.744581
H	2.973351	2.686305	-3.542541
H	2.128261	1.401384	-4.431959
C	-3.888562	-4.339967	1.502530
H	-3.452635	-4.990394	0.730789
H	-3.079650	-4.018156	2.172814
H	-4.587325	-4.947390	2.095661
C	-6.162633	-3.512249	-0.380800
H	-6.898421	-4.101842	0.186163
H	-6.698494	-2.678258	-0.857522
H	-5.758606	-4.151293	-1.179283
C	-5.570951	-1.848589	2.107363
H	-4.810337	-1.478411	2.809435
H	-6.099891	-0.977518	1.694050
H	-6.300229	-2.440922	2.679703
C	-0.448043	-4.100969	-1.992043
H	-1.393757	-4.538800	-1.645033
H	-0.073905	-4.726600	-2.815418
H	0.277300	-4.169653	-1.171614
C	-2.000912	-2.384949	-3.957730
H	-2.128261	-1.401384	-4.431959
H	-1.731258	-3.104812	-4.744581
H	-2.973351	-2.686305	-3.542541
C	0.930843	-1.771932	-3.365655
H	0.861362	-0.770283	-3.807753
H	1.746869	-1.764295	-2.630731
H	1.213839	-2.466313	-4.170583
C	3.888562	-4.339967	-1.502530
H	3.452635	-4.990394	-0.730789
H	3.079650	-4.018156	-2.172814
H	4.587325	-4.947390	-2.095661
C	0.448043	-4.100969	1.992043
H	0.073905	-4.726600	2.815418
H	-0.277300	-4.169653	1.171614
H	1.393757	-4.538800	1.645033
C	2.000912	-2.384949	3.957730
H	2.128261	-1.401384	4.431959
H	1.731258	-3.104812	4.744581
H	2.973351	-2.686305	3.542541
C	-0.930843	-1.771932	3.365655
H	-0.861362	-0.770283	3.807753
H	-1.746869	-1.764295	2.630731
H	-1.213839	-2.466313	4.170583
C	6.162633	-3.512249	0.380800
H	5.758606	-4.151293	1.179283
H	6.898421	-4.101842	-0.186163
H	6.698494	-2.678258	0.857522
C	5.570951	-1.848589	-2.107363
H	4.810337	-1.478411	-2.809435
H	6.099891	-0.977518	-1.694050
H	6.300229	-2.440922	-2.679703

97
[?SnA?3],from D2,C1; B3PW91/def2TZVPD(Sn,Si);def2SVPD(C,H); ?Gø = -3016.457011 au
C	-0.153242	-1.173813	-1.175284 
C	-0.681977	-1.791652	0.058806
C	-3.675472	0.713178	-0.383832
C	4.337 023	0.965667	0.001502
H	-0.976603	-0.991963	-1.883951
H	0.06822	-2.071528	0.804946
H	-3.738732	0.39844	0.664252
H	4.350189	2.05578	0.129012
C	-1.452954	1.761242	0.161113
C	1.978028	0.916561	0.929485
C	-2.567882 	1.391759	-0.740244
C	3.213245	0.319384	0.368911
C	-1.980165	-2.038892 	0.334534
H	-1.594245	1.292573	1.144278
H	2.126607	1.997207	1.071967
H 	-2.471374	1.721832	-1.782162
H	3.186537	-0.767474	0.241966
H	-2.704987	-1.738236	-0.426748
Sn	0.412901	0.884923	-0.616998
Si	-2.627633	-2.84626	1.870385
Si	1.17752	-2.168527	-2.058752
Si	5.830158	0.122107	-0.711425
Si	1.592852	0.21527	2.641421
Si	-1.336332	3.618454	0.40758
Si	-5.062299	0.258265	-1.525179
C	-4.633964	0.773283	-3.27373
H	-4.490475	1 .860763	-3.346831
H	-3.711207	0.282533	-3.615129
H	-5.440602	0.493715	 -3.965639
C	-5.339294	-1.597055	-1.459729
H	-4.4806	-2.148405	-1.867373
H	-5.491931	-1.930921	-0.423528
H	-6.229746	-1.880737	-2.0384
C	-6.636922	1.111504	-0.97132
H	-6.523335	2.204148	-1.012142
H	-7.488734	0.830354	-1.607826
H	-6.883713	0.837169	0.064748
C	-1.292711	4.466458	-1.259833
H	-1.183469	5.553809	-1.14109
H	-0.448505	4.104796	-1.864984
H	 -2.218762	4.280597	-1.821372
C	0.205937	4.070671	1.37337
H	0.31236	3.459894	2.280107
H	1.113603	3.944003	0.767289
H	0.159605	5.12426	1.683331
C	-2.852003	4.15693	1.36271
H	-3.762294	3.817527	0.848593
H	-2.853245	3.718937	2.371465
H	-2.899274	5.250472	1.465316
C	-3.646197	-4.341621	1.380986
H	-4.097382	-4.822656	2.26109
H	-4.457725	-4.053333	0.69797 
H	-3.021854	-5.085207	0.865387
C	-3.735232	-1.648989	2.799512
H	-3.186431	-0.744372	3.0948
H	-4.58623	-1.341256	2.175623
H	-4.138258	-2.116712	3.70934
C	-1.207163	-3.380443	2.966647
H	-1.588127	-3.891524	3.861829
H	-0.540613	-4.076329	2.438156
H	-0.607698	-2.524116	3.298877
C	2.076746	-3.260356	-0.832195
H	2.862234	-3.83803	-1.337842
H	2.552387	-2.694711	-0.023165
H	1.375112	-3.971831	-0.375333
C	0.308021	-3.271678	 -3.297613
H	-0.211202	-2.673657	-4.06036
H	1.017926	-3.935485	-3.811886
H	-0.44021	-3.898034	-2.790581
C	2.376987	-1.049531	-2.960664
H	3.11263	-1.641546	-3.523884
H	1.845384	-0.405162	-3.675317
H	2.925437	-0.397542	-2.267207
C	6.114915	0.724654	-2.464018
H	5.255517	0.480644	-3.103914
H	6.25389	1.815298	-2.486306
H	7.01141	0.260288	-2.900809
C	5.559493	-1.730335	-0.724803
H	5.367448	-2.118044	0.285528
H	4.708705	-2.00418	-1.361481
H	6.450459	-2.239462	-1.118041
C	7.334271	0.53479	0.3286
H	7.208676	0.170379	1.358262
H	8.242414	0.075906	-0.089026
H	7.494939	1.621839	0.372391
C	2.167099	-1.562917	2.756133
H	3.253098	-1.625811 	2.60529
H	1.941067	-1.963807	3.753705
H	1.687204	-2.218969	2.02144
C	 -0.211605	0.325712	3.124341
H	-0.345256	-0.084959	4.13506
H	-0.562785	 1.365434	3.141242
H	-0.85188	-0.244585	2.440179
C	2.598826	1.237276	3.846464
H	2.512187	0.848365	4.871367
H	3.660604	1.222018	3.561636
H	2.263992	2.284392	3.850244

32
[?A?], C2; B3PW91/def2SVPD; ?Gø = -934.006739 au
C	0.000035	1.242378	0.844073
C	0.000000	0.000000	0.209292
C	-0.000035	-1.242378	0.844073
C	1.527654	3.865585	0.547194
C	-1.528496	3.864952	0.545940
C	0.000770	2.704817	-1.853451
C	-1.527654	-3.865585	0.547194
C	1.528496	-3.864952	0.545940
C	-0.000770	-2.704817	-1.853451
H	0.000048	1.216092	1.942352
H	0.000000	0.000000	-0.887886
H	-0.000048	-1.216092	1.942352
H	1.559496	3.978590	1.640927
H	1.534602	4.873244	0.104876
H	2.447565	3.350260	0.235352
H	-2.447930	3.349196	0.233407
H	-1.535535	4.872574	0.103538
H	-1.561253	3.978023	1.639639
H	0.890846	2.159902	-2.200303
H	0.000873	3.689259	-2.343372
H	-0.888932	2.159745	-2.201019
H	-1.559496	-3.978590	1.640927
H	-1.534602	-4.873244	0.104876
H	-2.447565	-3.350260	0.235352
H	2.447930	-3.349196	0.233407
H	1.535535	-4.872574	0.103538
H	1.561253	-3.978023	1.639639
H	-0.890846	-2.159902	-2.200303
H	-0.000873	-3.689259	-2.343372
H	0.888932	-2.159745	-2.201019
Si	0.000000	2.911090	0.011295
Si	0.000000	-2.911090	0.011295

45
[Me3SnA?],C1; B3PW91-D3BJ/def2TZVP(Sn,Si);def2SVP(C,H); ?Gø = -1268.055070 au
C	0.246770	-2.815345	-0.073610
C	0.419828	0.590902	-0.579728
C	-0.956993	0.394512	-0.063465
C	-2.072579	0.148693	-0.779378
C	0.282778	3.602722	-0.962774
C	2.994689	2.266573	-0.493998
C	0.964802	2.482517	1.790098
C	-4.319900	-1.882041	-0.508568
C	-4.977838	1.090582	-0.685115
C	-3.639457	-0.030733	1.832086
C	2.432727	-0.979489	1.948159
C	3.165989	-1.413878	-1.466202
H	-0.488451	-2.722232	0.737968
H	0.418753	0.563430	-1.684031
H	-1.051842	0.439798	1.031304
H	-1.965967	0.100086	-1.873314
H	2.962031	-1.907827	2.208295
H	3.888098	-0.588378	-1.405507
H	0.436727	3.521728	-2.050376
H	0.633799	4.596926	-0.644315
H	-0.800662	3.545234	-0.774510
H	3.572736	1.534829	0.091049
H	3.421739	3.261798	-0.293639
H	3.150990	2.044532	-1.561251
H	-0.099160	2.536491	2.067148
H	1.435838	3.429222	2.098736
H	1.427367	1.673107	2.373029
H	-4.371849	-1.993068	-1.603330
H	-5.321327	-2.095198	-0.101746
H	-3.625786	-2.647499	-0.128016
H	-4.687516	2.114746	-0.403364
H	-5.987156	0.899995	-0.286728
H	-5.038027	1.050656	-1.784328
H	-2.941189	-0.772031	2.251054
H	-4.627885	-0.212367	2.282848
H	-3.306177	0.969313	2.150574
Si	1.172792	2.229057	-0.053623
Si	-3.741609	-0.161205	-0.034867
Sn	1.599501	-1.153505	-0.022837
H	-0.298760	-2.822935	-1.027866
H	0.785929	-3.766811	0.039764
H	3.695942	-2.360204	-1.284646
H	2.744624	-1.438341	-2.481468
H	1.636129	-0.815377	2.687632
H	3.144559	-0.144413	2.004738
