6
WSCl4
W	-0.0000020	-0.0000110	0.0302710
Cl	1.8567250	1.2737560	-0.5306530
Cl	-1.2737240	1.8566190	-0.5309870
Cl	1.2737570	-1.8565490	-0.5310650
Cl	-1.8566080	-1.2736110	-0.5309090
S	-0.0001490	-0.0001780	2.1163380
6
WSeCl4
W	0.2092190	0.0005250	-0.0002150
Se	-2.0096340	-0.0055120	0.0010500
Cl	0.7791990	-0.8770570	-2.0723990
Cl	0.7830170	-2.0704300	0.8787070
Cl	0.7700630	2.0748590	-0.8792280
Cl	0.7762720	0.8813660	2.0717580
12
WS dimer [SCl3W(µ-Cl)2WCl3S]
W	2.1210840	0.0000200	0.1118220
Cl	1.7250790	2.2663950	-0.1244090
Cl	3.1488340	-0.0000130	-1.9539170
Cl	1.7249550	-2.2663770	-0.1245510
Cl	0.3025560	0.0000650	1.6846960
W	-2.1213420	0.0000140	-0.1118450
Cl	-0.3015440	0.0000880	-1.6834930
Cl	-1.7247420	-2.2661830	0.1246990
Cl	-1.7249360	2.2661950	0.1245080
Cl	-3.1494700	0.0000210	1.9533960
S	3.7386310	-0.0001520	1.4321850
S	-3.7382160	-0.0002110	-1.4330650
12
WSe dimer [SeCl3W(µ-Cl)2WCl3Se]
W	2.1210450	0.1448760	0.0000100
Cl	1.6963300	0.3377570	2.2667440
Cl	2.8922550	2.3218480	-0.0000660
Cl	1.6960540	0.3376870	-2.2666770
Cl	0.5005880	-1.6325410	0.0001320
W	-2.1210030	-0.1448720	0.0000100
Cl	-0.5007040	1.6326680	0.0001380
Cl	-1.6960700	-0.3376510	-2.2667060
Cl	-1.6963460	-0.3377370	2.2667710
Cl	-2.8921880	-2.3218770	-0.0000740
Se	-3.9962510	1.0485970	-0.0000860
Se	3.9962020	-1.0486810	-0.0000890
35
OPPh3
P	0.0062630	-0.0404010	0.9583330
O	0.0418010	-0.1630880	2.4504430
C	-1.3893630	-0.9460070	0.2092370
C	-1.9486790	-1.9876290	0.9550780
H	-1.5730790	-2.1823400	1.9533050
C	-2.9864580	-2.7472750	0.4225100
H	-3.4206060	-3.5517600	1.0065140
C	-3.4703280	-2.4713990	-0.8547190
H	-4.2795900	-3.0636710	-1.2688490
C	-2.9209250	-1.4284490	-1.5982460
H	-3.3048340	-1.2046940	-2.5880610
C	-1.8849690	-0.6650870	-1.0681120
H	-1.4796170	0.1619490	-1.6404490
C	1.5130240	-0.7202870	0.1838290
C	1.6519260	-0.8868690	-1.1975690
H	0.8401420	-0.6204410	-1.8649880
C	2.8319310	-1.4023630	-1.7223930
H	2.9350750	-1.5325350	-2.7946070
C	3.8789560	-1.7558790	-0.8713620
H	4.7980480	-2.1592360	-1.2834970
C	3.7422860	-1.5960400	0.5051690
H	4.5538060	-1.8751410	1.1687180
C	2.5611050	-1.0798810	1.0343550
H	2.4350500	-0.9546610	2.1037120
C	-0.1452880	1.6588300	0.3109430
C	0.9614720	2.3499120	-0.1904680
H	1.9219130	1.8532820	-0.2634560
C	0.8325100	3.6742890	-0.6014650
H	1.6954470	4.2036480	-0.9912920
C	-0.3995680	4.3166600	-0.5115560
H	-0.4988620	5.3479520	-0.8336000
C	-1.5055150	3.6353590	-0.0044940
H	-2.4653620	4.1350830	0.0710640
C	-1.3795430	2.3133550	0.4068460
H	-2.2413250	1.7858390	0.8014340
41
WSCl4(OPPh3)
W	-2.0721500	-0.0148240	-0.0917510
Cl	-1.4073940	1.7139780	1.3840400
Cl	-2.1126200	1.5592720	-1.8576300
Cl	-1.4474480	-1.6298220	1.5277350
Cl	-2.1174170	-1.7303950	-1.7162480
P	1.5047020	-0.0214040	-0.1037760
S	-4.1289550	0.0175630	0.3762340
O	0.0339540	-0.0406680	-0.5208530
C	2.3092320	1.3425360	-0.9719540
C	1.8019670	0.2189230	1.6591450
C	1.6003410	-2.3822270	-1.5115290
H	0.6297500	-2.0750750	-1.8807480
C	1.4981910	2.3213820	-1.5522170
H	0.4213740	2.2205030	-1.5094520
C	2.0450160	1.5036300	2.1579010
H	2.1123570	2.3460340	1.4803860
C	2.0873200	0.6172690	4.3990980
H	2.1944090	0.7728380	5.4673530
C	2.1884910	1.6986120	3.5264900
H	2.3712310	2.6954650	3.9120200
C	2.0868900	3.4096900	-2.1911430
H	1.4573340	4.1681240	-2.6431020
C	2.2676400	-1.5842620	-0.5775190
C	1.7001570	-0.8657840	2.5381740
H	1.4991210	-1.8586180	2.1562040
C	3.7024480	1.4496570	-1.0355560
H	4.3341400	0.6857110	-0.5967380
C	4.2810130	2.5383390	-1.6766380
H	5.3611070	2.6208630	-1.7311730
C	1.8445610	-0.6630410	3.9052440
H	1.7584160	-1.5031970	4.5852570
C	2.1789420	-3.5760680	-1.9314410
H	1.6572090	-4.2007290	-2.6479200
C	3.4732590	3.5196650	-2.2520700
H	3.9281520	4.3680680	-2.7522420
C	4.0773070	-3.1776680	-0.4898410
H	5.0335070	-3.4933850	-0.0869070
C	3.5043710	-1.9861730	-0.0592840
H	4.0039120	-1.3882730	0.6950500
C	3.4159130	-3.9703600	-1.4271870
H	3.8627620	-4.9022370	-1.7569970
41
WSeCl4(OPPh3)
W	1.8065080	-0.0839530	0.1657960
Se	4.0222790	0.0466070	-0.1681720
Cl	1.7471020	-2.1488010	1.3159790
Cl	1.2456760	-1.2223950	-1.8247550
Cl	1.2229870	1.9703990	-0.8940250
Cl	1.7429110	1.0296120	2.2589430
P	-1.7579810	0.0112140	0.0574340
O	-0.3107760	-0.1731520	0.5114630
C	-2.3039490	1.6997500	0.3716430
C	-1.5882330	2.4629840	1.2990450
H	-0.6999640	2.0527860	1.7628520
C	-2.0075590	3.7566630	1.5906810
H	-1.4456790	4.3536340	2.3001400
C	-3.1341870	4.2861480	0.9650230
H	-3.4551030	5.2968910	1.1932470
C	-3.8440270	3.5263350	0.0364230
H	-4.7127810	3.9444480	-0.4601750
C	-3.4295530	2.2335550	-0.2656560
H	-3.9639530	1.6550290	-1.0110220
C	-2.7606310	-1.1403580	1.0193880
C	-4.1581380	-1.0878440	0.9971870
H	-4.6706820	-0.3310730	0.4137520
C	-4.8928450	-2.0073490	1.7359140
H	-5.9765410	-1.9676050	1.7236870
C	-4.2356320	-2.9755950	2.4959020
H	-4.8120770	-3.6907930	3.0728990
C	-2.8442780	-3.0230350	2.5205010
H	-2.3337140	-3.7723100	3.1151080
C	-2.0992270	-2.1057560	1.7835640
H	-1.0161700	-2.1254310	1.7969390
C	-2.0259730	-0.3369340	-1.6892370
C	-2.4608650	-1.6024450	-2.0951850
H	-2.7319640	-2.3471740	-1.3563620
C	-2.5331070	-1.9058360	-3.4502910
H	-2.8667360	-2.8881960	-3.7655460
C	-2.1670330	-0.9530200	-4.3981090
H	-2.2158420	-1.1952850	-5.4542910
C	-1.7311460	0.3082310	-3.9947880
H	-1.4358830	1.0451730	-4.7331290
C	-1.6581870	0.6201700	-2.6433680
H	-1.2961620	1.5909350	-2.3286200