28
TS_CO-PdL2 (VL_PR3, r0 = 1.3, θ = 120), G = -5219.811477872781
Pd	  -1.063824198913	  -1.589351565897	  -1.250778741081
P 	  -2.999171633045	  -0.003791704211	  -1.275345421480
Cl	  -2.558629295296	   1.171230715494	  -2.118634329351
Cl	  -4.123800660558	  -0.766905788564	  -1.937423683240
Cl	  -3.386447925492	   0.433162249005	   0.119534228243
P 	   0.255306761807	  -0.879353408265	   0.658760327545
Cl	   1.661829630594	  -1.403354564773	   0.487390624558
Cl	  -0.419621572295	  -1.461432083900	   1.878872027788
Cl	   0.230890068695	   0.632281387120	   0.673548752711
C 	  -0.197521483001	  -2.780049705082	  -4.921257627910
Cl	  -0.275647017056	  -2.604745387229	  -6.667888791008
C 	  -1.316739079575	  -3.139874648666	  -4.209315043941
C 	  -1.254628721309	  -3.238351403912	  -2.793655117870
C 	  -0.004095767178	  -3.007318252381	  -2.121407104090
C 	   1.153490303698	  -2.715364142547	  -2.910525970071
C 	   1.044509384031	  -2.563078545843	  -4.270882412553
H 	  -2.251577263966	  -3.367933038775	  -4.726510078962
H 	  -2.073469068127	  -3.736762502761	  -2.268542472756
H 	   2.119817850428	  -2.576048790325	  -2.419354959427
H 	   1.915741218757	  -2.268125176963	  -4.860034499478
O 	   0.554931951910	  -4.318988442499	  -1.055529240046
S 	  -0.336923506548	  -5.035710879551	  -0.051409709661
O 	   0.393215154887	  -5.370418065762	   1.157742346854
O 	  -1.671889321823	  -4.468169465061	   0.078782777902
C 	  -0.600023930422	  -6.652289354863	  -0.916196574005
F 	  -1.181609547455	  -6.460922557654	  -2.092960701560
F 	   0.555891399308	  -7.270499179864	  -1.108970244386
F 	  -1.381692223092	  -7.430835775680	  -0.178893103480
28
TS_CO-PdL2 (VL_PR3, r0 = 1.3, θ = 130), G = -5219.810238379288
Pd	  -1.060008148934	  -1.578362301716	  -1.228233990645
P 	  -3.018667455309	  -0.008580567491	  -1.278007477758
Cl	  -2.587490211866	   1.166889692967	  -2.125433195669
Cl	  -4.129398907727	  -0.789956850273	  -1.942176877328
Cl	  -3.418614567387	   0.430482425147	   0.112595872165
P 	   0.287230117270	  -0.810235510913	   0.649027790947
Cl	   1.698149623277	  -1.314309186715	   0.456106347471
Cl	  -0.350676063083	  -1.371448844779	   1.898449342338
Cl	   0.236673013343	   0.700713563151	   0.626780211198
C 	  -0.194959849391	  -2.804176268382	  -4.890415127826
Cl	  -0.272881476716	  -2.646716874039	  -6.638646238836
C 	  -1.315517563678	  -3.151214450246	  -4.174368258451
C 	  -1.253325467902	  -3.236461101108	  -2.757726172206
C 	  -0.001357072818	  -3.004344133935	  -2.089052454082
C 	   1.157661242807	  -2.729131126166	  -2.881450816410
C 	   1.048817702987	  -2.588858048047	  -4.243136648261
H 	  -2.250954533694	  -3.381964959252	  -4.689195207868
H 	  -2.073133881914	  -3.729101318567	  -2.229035874964
H 	   2.125938679620	  -2.594237273155	  -2.393239236941
H 	   1.921742773279	  -2.306157700404	  -4.835788611277
O 	   0.554781135718	  -4.310833922913	  -1.005591401852
S 	  -0.356970802978	  -5.069146735604	  -0.052025129668
O 	   0.348660409833	  -5.456195281959	   1.155827207156
O 	  -1.694155611958	  -4.506289792865	   0.074863561588
C 	  -0.604510162880	  -6.650213510229	  -0.984756804268
F 	  -1.166927338012	  -6.415544780602	  -2.163046650927
F 	   0.555284966033	  -7.260154535149	  -1.182272505505
F 	  -1.397079039009	  -7.457450686159	  -0.290936392874
28
TS_CO-PdL2 (VL_PR3, r0 = 1.3, θ = 140), G = -5219.807358898441
Pd	  -1.054950693296	  -1.525628819837	  -1.202455258300
P 	  -3.034434250801	   0.035200509879	  -1.297410544995
Cl	  -2.619428696559	   1.190348881869	  -2.180073544180
Cl	  -4.140012387841	  -0.776609024695	  -1.932949470131
Cl	  -3.430909522182	   0.508340350434	   0.082988893207
P 	   0.335196028687	  -0.720519021885	   0.643499042082
Cl	   1.753362949345	  -1.177851931950	   0.396053293212
Cl	  -0.241750975550	  -1.304499425914	   1.911891968728
Cl	   0.235745890356	   0.788183624608	   0.628853836717
C 	  -0.209805113765	  -2.876866641586	  -4.832342967625
Cl	  -0.285887398075	  -2.775628063687	  -6.584574366103
C 	  -1.336663517871	  -3.175079377775	  -4.104715026763
C 	  -1.274860539915	  -3.216379877441	  -2.685987394565
C 	  -0.017613795498	  -2.990135157782	  -2.025856660149
C 	   1.146375474451	  -2.769796422873	  -2.827486743548
C 	   1.039273817313	  -2.670940749850	  -4.193001766381
H 	  -2.276817161261	  -3.404934620551	  -4.611120103886
H 	  -2.101581451620	  -3.682403605328	  -2.144827807111
H 	   2.119425165990	  -2.645818436324	  -2.346817657390
H 	   1.918433959437	  -2.430238618200	  -4.794816428582
O 	   0.518162803119	  -4.257161552483	  -0.880650232104
S 	  -0.420640172049	  -5.123218346253	  -0.053437723583
O 	   0.227180583271	  -5.585368855443	   1.160092354760
O 	  -1.782543533766	  -4.616489234137	   0.036122878818
C 	  -0.543955696470	  -6.633578075649	  -1.120502112252
F 	  -1.053940436371	  -6.333933529637	  -2.307541753625
F 	   0.653026544041	  -7.174060668197	  -1.297474780827
F 	  -1.332076364198	  -7.527933388712	  -0.536344666229
28
TS_CO-PdL2 (VL_PR3, r0 = 1.3, θ = 150), G = -5219.804148632312
Pd	  -1.048588627691	  -1.489446183070	  -1.182843266218
P 	  -3.066299805181	   0.032207336512	  -1.333915253981
Cl	  -2.669158424608	   1.195944146373	  -2.213393218647
Cl	  -4.142349443235	  -0.811075997801	  -1.978699507157
Cl	  -3.489648899143	   0.496978237839	   0.041349243519
P 	   0.414873499931	  -0.639673564428	   0.600636416192
Cl	   1.792135391209	  -0.534405586553	  -0.010743119424
Cl	   0.358153227996	  -1.616309078880	   1.751234931929
Cl	  -0.106617207873	   0.721688471550	   1.003119998314
C 	  -0.177229618855	  -2.915694261357	  -4.783981359602
Cl	  -0.236097175751	  -2.845380908458	  -6.538307316750
C 	  -1.316284270585	  -3.175872021716	  -4.060422221275
C 	  -1.267369808594	  -3.193497456232	  -2.641122158586
C 	  -0.011680036522	  -2.979991751294	  -1.973015396884
C 	   1.163754574869	  -2.807375154961	  -2.769503646337
C 	   1.070685221941	  -2.731229319071	  -4.137805448231
H 	  -2.255536110492	  -3.399069194153	  -4.571094386753
H 	  -2.103595611330	  -3.642607524593	  -2.100670567342
H 	   2.137293358795	  -2.706518310888	  -2.286203638568
H 	   1.961633263930	  -2.527337626632	  -4.735821198236
O 	   0.471591662641	  -4.255565893622	  -0.804754275698
S 	  -0.496573181541	  -5.150897847770	  -0.046918218495
O 	   0.107095292546	  -5.664788671734	   1.168609045989
O 	  -1.858937252591	  -4.641047385489	   0.017915605100
C 	  -0.591107612582	  -6.621084899472	  -1.172628456258
F 	  -1.060139853988	  -6.278008129547	  -2.364843511511
F 	   0.609460380492	  -7.160446413307	  -1.329308236654
F 	  -1.401151424824	  -7.532495090649	  -0.647755579255
28
TS_CO-PdL2 (VL_PR3, r0 = 1.3, θ = 160), G = -5219.798256211539
Pd	  -1.028175718835	  -1.464437657500	  -1.146798007044
P 	  -3.108049559560	  -0.004960399519	  -1.349905566159
Cl	  -2.997597216035	   0.696718851439	  -2.683890665306
Cl	  -4.262220760124	  -0.979960781504	  -1.312432776546
Cl	  -3.202238588338	   0.990181511193	  -0.214771505198
P 	   0.442150807957	  -0.604608275394	   0.649351664355
Cl	   1.820038023740	  -0.495496936061	   0.040525884455
Cl	   0.383510060308	  -1.568879891206	   1.809983539771
Cl	  -0.092265267787	   0.757276420853	   1.032759265974
C 	  -0.139089834463	  -2.904946147938	  -4.749160648594
Cl	  -0.179800288332	  -2.851449220067	  -6.504331666214
C 	  -1.286113172155	  -3.150083133681	  -4.034188996374
C 	  -1.250994753544	  -3.159233023189	  -2.613616348492
C 	   0.002381044741	  -2.961290671341	  -1.937662619916
C 	   1.186076984746	  -2.807128863394	  -2.724905675421
C 	   1.105559593883	  -2.731845561669	  -4.093740415621
H 	  -2.219629784921	  -3.377443266633	  -4.552679553626
H 	  -2.089736044989	  -3.612805071250	  -2.081137008305
H 	   2.157470823828	  -2.723453629873	  -2.235485317227
H 	   2.003967441115	  -2.542300769819	  -4.685201716639
O 	   0.458506756916	  -4.262440484423	  -0.774843472138
S 	  -0.523741362277	  -5.189384982083	  -0.077674989418
O 	   0.061558967611	  -5.773681474166	   1.114681260809
O 	  -1.882774515330	  -4.671967678257	   0.000560377698
C 	  -0.622505091348	  -6.602287452834	  -1.275139012268
F 	  -1.079944807865	  -6.202566176487	  -2.453957900002
F 	   0.575082591182	  -7.143687068485	  -1.448672724115
F 	  -1.443114821168	  -7.530838246194	  -0.798550149368
28
TS_CO-PdL2 (VL_PR3, r0 = 1.3, θ = 170), G = -5219.789634271958
Pd	  -1.047631080168	  -1.294118409274	  -1.112424397627
P 	  -2.997522891897	   0.356054875200	  -1.506736079292
Cl	  -2.493376169025	   1.432690014603	  -2.440325580511
Cl	  -4.099317644916	  -0.466255542806	  -2.133579942663
Cl	  -3.433123648937	   0.939304999725	  -0.181007673856
P 	   0.487698624495	  -0.441529859989	   0.677773460062
Cl	   1.847695982678	  -0.328937362262	   0.030721923743
Cl	   0.455072058511	  -1.420381155223	   1.826775902382
Cl	  -0.037751420936	   0.916207225247	   1.087604731954
C 	  -0.363154464542	  -3.224164416010	  -4.544883628899
Cl	  -0.433101075441	  -3.392736111010	  -6.291396553485
C 	  -1.515735412489	  -3.251216879240	  -3.797547538308
C 	  -1.451909396388	  -3.096168424541	  -2.386877121384
C 	  -0.172835766842	  -2.951366310732	  -1.754211478432
C 	   1.005197148837	  -3.026618177417	  -2.557591960739
C 	   0.905063252610	  -3.114029172572	  -3.925292298427
H 	  -2.475858900544	  -3.446382097714	  -4.277917937119
H 	  -2.317122216305	  -3.410838663740	  -1.798300633936
H 	   1.988612111242	  -2.990994296493	  -2.088667715815
H 	   1.806474051101	  -3.104575586849	  -4.541977811623
O 	   0.146331404011	  -4.123955764212	  -0.388389415531
S 	  -0.637419863172	  -5.405334786284	  -0.164895903302
O 	  -0.125234983719	  -6.131905804925	   0.983413346784
O 	  -2.079010043794	  -5.248589675697	  -0.295647547581
C 	  -0.137361506813	  -6.456707377993	  -1.615112330314
F 	  -0.667427219485	  -6.020820416631	  -2.747870857800
F 	   1.183525394456	  -6.467760654747	  -1.744448631722
F 	  -0.552464813590	  -7.701870247809	  -1.412071067338
28
TS_CO-PdL2 (VL_PR3, r0 = 1.3, θ = 180), G = -5219.777668434224
Pd	  -1.018978396244	  -1.294109346302	  -1.098123794969
P 	  -3.157427032865	   0.231939438031	  -1.410655817524
Cl	  -2.773180245995	   1.390911972259	  -2.301898497482
Cl	  -4.210146573322	  -0.649697136816	  -2.040225540781
Cl	  -3.588103928730	   0.715451198140	  -0.043571381089
P 	   0.616950637171	  -0.370725541088	   0.640206933472
Cl	   2.008311586694	  -0.587116122241	   0.095154310610
Cl	   0.368061939205	  -1.094815631567	   1.941797399299
Cl	   0.287019620678	   1.101097635802	   0.748867906300
C 	  -0.290234358997	  -3.197661930940	  -4.565423315675
Cl	  -0.339748317636	  -3.363280479580	  -6.312245285765
C 	  -1.453143152137	  -3.216043517781	  -3.832794613532
C 	  -1.406712843659	  -3.070996070526	  -2.421455209986
C 	  -0.136277109671	  -2.930146055404	  -1.779540347396
C 	   1.051393742028	  -3.030243456922	  -2.559300176874
C 	   0.969924937187	  -3.111389176820	  -3.929495452156
H 	  -2.405648107518	  -3.409215311757	  -4.327169537137
H 	  -2.275302745316	  -3.393181146787	  -1.842796438125
H 	   2.027127033374	  -3.022793605752	  -2.075984085896
H 	   1.879733690190	  -3.119298793168	  -4.533471775715
O 	   0.142493540944	  -4.126657032866	  -0.396465244376
S 	  -0.684819772103	  -5.378929408163	  -0.176874652047
O 	  -0.210538725391	  -6.123812694847	   0.976256930254
O 	  -2.120005987650	  -5.175772813034	  -0.320197992695
C 	  -0.211245539084	  -6.451805976388	  -1.619975833156
F 	  -0.696044124053	  -5.988434262081	  -2.762489631709
F 	   1.109420964119	  -6.532016065547	  -1.724962074749
F 	  -0.694569222346	  -7.674258747338	  -1.428051521931
28
TS_CO-PdL2 (VL_PR3, r0 = 1.3, θ = 190), G = -5219.762404816975
Pd	  -0.979902750060	  -1.279662063678	  -1.072680811317
P 	  -3.292761941919	   0.155335902048	  -1.384531062181
Cl	  -2.975430883430	   1.349947456698	  -2.254976691068
Cl	  -4.313861739534	  -0.764912865671	  -2.009484326755
Cl	  -3.715213263626	   0.597666329105	  -0.000648035058
P 	   0.749754109019	  -0.329167120326	   0.632673032921
Cl	   2.126393847618	  -0.560150882454	   0.058062025676
Cl	   0.529272630569	  -1.014627545249	   1.959965683024
Cl	   0.414601456645	   1.143740813091	   0.704999348340
C 	  -0.236608065319	  -3.200359619801	  -4.564437217763
Cl	  -0.266418072819	  -3.383194862674	  -6.309305509402
C 	  -1.409932123322	  -3.191839068601	  -3.846511585297
C 	  -1.380297895317	  -3.043023006001	  -2.437255615012
C 	  -0.119549069679	  -2.911934243456	  -1.784093750548
C 	   1.075992527917	  -3.046547143534	  -2.540599686056
C 	   1.013999769864	  -3.138104799409	  -3.912285852374
H 	  -2.356418915977	  -3.377947264410	  -4.352815548607
H 	  -2.259084837399	  -3.346877581525	  -1.865117638858
H 	   2.041879852703	  -3.066228010608	  -2.041635300364
H 	   1.931732115741	  -3.176986836549	  -4.502429501308
O 	   0.107600657677	  -4.116561920066	  -0.381068519110
S 	  -0.740097037849	  -5.359213443258	  -0.191713959010
O 	  -0.298513676795	  -6.125952979125	   0.960233329097
O 	  -2.169717942607	  -5.133911923711	  -0.357602973725
C 	  -0.261068079228	  -6.428228415375	  -1.637685173656
F 	  -0.748748948211	  -5.968127862309	  -2.780262118444
F 	   1.059833985737	  -6.503347026395	  -1.744143626929
F 	  -0.739124201473	  -7.652784096115	  -1.445533657015
28
TS_CO-PdL2 (VL_PR3, r0 = 1.3, θ = 200), G = -5219.743873092751
Pd	  -0.858985759145	  -1.252656115130	  -1.013361631640
P 	  -3.551018914029	  -0.015383802387	  -1.298186861829
Cl	  -3.374937951829	   1.172646348773	  -2.216907829521
Cl	  -4.565170143000	  -1.009624595778	  -1.809919006878
Cl	  -3.875632968952	   0.448007395096	   0.105554633666
P 	   0.974276619134	  -0.313197485322	   0.596782221336
Cl	   2.339656607445	  -0.639730453627	   0.042937486371
Cl	   0.735359510627	  -0.873205871372	   1.978834016525
Cl	   0.681780865702	   1.169623806137	   0.543985869579
C 	  -0.118425223593	  -3.187124760809	  -4.586344022788
Cl	  -0.090249018036	  -3.361134325942	  -6.331374108105
C 	  -1.320162368520	  -3.117686917544	  -3.914173081655
C 	  -1.340019522397	  -2.985951198665	  -2.509419309359
C 	  -0.110133262352	  -2.897465720900	  -1.807093345570
C 	   1.106638655976	  -3.091942121019	  -2.508147276167
C 	   1.100685844671	  -3.193350690532	  -3.883070806673
H 	  -2.253504273642	  -3.239150666738	  -4.460977465013
H 	  -2.262264399061	  -3.197859307401	  -1.968759691264
H 	   2.043308463927	  -3.169558649332	  -1.964008589670
H 	   2.038609583359	  -3.297992270919	  -4.431030930068
O 	   0.013033110111	  -4.056978587526	  -0.373923069217
S 	  -0.859777262876	  -5.291149418620	  -0.222104397469
O 	  -0.484545950874	  -6.049878893907	   0.957674393007
O 	  -2.273929366784	  -5.046517148525	  -0.464551253346
C 	  -0.324703011529	  -6.380217371613	  -1.634075638624
F 	  -0.764928365431	  -5.934522071987	  -2.800764373468
F 	   0.998779793484	  -6.461463463253	  -1.685845709323
F 	  -0.815429783470	  -7.599535720579	  -1.442614963614
28
TS_CO-PdL2 (VL_PR3, r0 = 1.4, θ = 120), G = -5220.617386375224
Pd	  -1.070360672903	  -1.585778384528	  -1.250917078287
P 	  -2.998572763950	  -0.027725019745	  -1.239977506920
Cl	  -2.582796352265	   1.224184307322	  -2.081623798546
Cl	  -4.180147503166	  -0.779920584879	  -1.937273074626
Cl	  -3.419782093978	   0.405830383723	   0.203454146024
P 	   0.259755680239	  -0.880356806559	   0.627733045363
Cl	   1.712355462270	  -1.441140533988	   0.487214370954
Cl	  -0.421581364159	  -1.425818330430	   1.925308567411
Cl	   0.284184587932	   0.684111670842	   0.637527357466
C 	  -0.186934305081	  -2.811139579568	  -4.934442361872
Cl	  -0.257983603898	  -2.669068716820	  -6.682694866570
C 	  -1.310711360539	  -3.157470755605	  -4.221755917158
C 	  -1.250717829229	  -3.234961605049	  -2.805391708590
C 	  -0.007726218908	  -2.982069749827	  -2.141774391621
C 	   1.154993949435	  -2.707134044519	  -2.919639970256
C 	   1.051783413536	  -2.583584292475	  -4.284661641797
H 	  -2.243018291138	  -3.396147353928	  -4.738192324398
H 	  -2.071252304402	  -3.720423412592	  -2.270491749150
H 	   2.116981486449	  -2.554385113302	  -2.425096983592
H 	   1.925661931367	  -2.300789720275	  -4.875632691610
O 	   0.560880053814	  -4.299673069354	  -1.009402959590
S 	  -0.355379769145	  -5.028442419961	  -0.043400953283
O 	   0.331427348802	  -5.375385294423	   1.188013215529
O 	  -1.697480211253	  -4.466997521346	   0.049996896526
C 	  -0.591858293723	  -6.638642392630	  -0.926918554340
F 	  -1.144572768696	  -6.440282333068	  -2.117192369667
F 	   0.570425517646	  -7.252711376109	  -1.096654412748
F 	  -1.389262216156	  -7.427078030316	  -0.216997025438
28
TS_CO-PdL2 (VL_PR3, r0 = 1.4, θ = 130), G = -5220.616112793276
Pd	  -1.070097398440	  -1.547472607270	  -1.222461007580
P 	  -3.014070114412	   0.007273365289	  -1.251593885520
Cl	  -2.597393223856	   1.253943764301	  -2.100489845796
Cl	  -4.182190107360	  -0.759983857922	  -1.955127865904
Cl	  -3.454506974128	   0.450439212451	   0.183100897882
P 	   0.300525054013	  -0.792991000764	   0.617663563297
Cl	   1.755511564464	  -1.338922393070	   0.447396533942
Cl	  -0.338564042033	  -1.317636604645	   1.945040173249
Cl	   0.305375152783	   0.771556661503	   0.593375005168
C 	  -0.199687391953	  -2.872827454494	  -4.881240770501
Cl	  -0.269142353903	  -2.775822286659	  -6.632419090265
C 	  -1.328395916221	  -3.181848550370	  -4.159488879551
C 	  -1.268850290067	  -3.224050085082	  -2.741567001550
C 	  -0.022059688701	  -2.972939932367	  -2.085248766258
C 	   1.144693626573	  -2.740041745655	  -2.870037362484
C 	   1.043069433985	  -2.650564142311	  -4.237857215256
H 	  -2.264245460116	  -3.420840377042	  -4.669255100497
H 	  -2.095232016305	  -3.687337399552	  -2.196620192354
H 	   2.110389053285	  -2.594312933532	  -2.381180887343
H 	   1.921864222706	  -2.400146758579	  -4.836042597197
O 	   0.536186573313	  -4.256212643687	  -0.900077143059
S 	  -0.404239677261	  -5.081350316260	  -0.040870390083
O 	   0.233390773911	  -5.503046620422	   1.193476141714
O 	  -1.764965076448	  -4.564003366734	   0.026967807628
C 	  -0.543558338389	  -6.628018351606	  -1.050857458515
F 	  -1.051052190551	  -6.363699156643	  -2.248167214743
F 	   0.646978518629	  -7.188634332725	  -1.210329717724
F 	  -1.341422204612	  -7.493510165551	  -0.436972471489
28
TS_CO-PdL2 (VL_PR3, r0 = 1.4, θ = 140), G = -5220.613060735333
Pd	  -1.060573275191	  -1.524295594066	  -1.202350251171
P 	  -3.035554905371	   0.012715654109	  -1.260493648505
Cl	  -2.633992714752	   1.258406650491	  -2.117981953300
Cl	  -4.188315166566	  -0.778935045636	  -1.962238422209
Cl	  -3.488336243765	   0.460206163638	   0.169000760401
P 	   0.339935863335	  -0.737410994142	   0.615709967907
Cl	   1.805801773541	  -1.238205793926	   0.405249847268
Cl	  -0.250411061969	  -1.280566983592	   1.957996724921
Cl	   0.297958976863	   0.826699069494	   0.591584000392
C 	  -0.202823750884	  -2.904297193095	  -4.850218799331
Cl	  -0.272978617406	  -2.833169528133	  -6.602461561221
C 	  -1.334188447042	  -3.188945532641	  -4.122611090695
C 	  -1.273129819277	  -3.211385797166	  -2.704365398376
C 	  -0.022872514712	  -2.965107331298	  -2.053983354035
C 	   1.146177202518	  -2.763022992056	  -2.842802727538
C 	   1.043634229774	  -2.690973413480	  -4.211780083527
H 	  -2.272529715680	  -3.427432552930	  -4.627836470569
H 	  -2.100667389388	  -3.664163717023	  -2.152642529351
H 	   2.115650721844	  -2.627799066161	  -2.359239729540
H 	   1.925318800920	  -2.462841498324	  -4.814540184564
O 	   0.517931906089	  -4.239994424540	  -0.842156814041
S 	  -0.436876655006	  -5.108612144583	  -0.045043046651
O 	   0.170026577273	  -5.576248067507	   1.188252699979
O 	  -1.803832472208	  -4.605944345019	   0.006792645898
C 	  -0.529862293166	  -6.616646927111	  -1.118034261468
F 	  -0.995459965546	  -6.311632432467	  -2.322683551977
F 	   0.670487506773	  -7.162637571802	  -1.254888974656
F 	  -1.342207042094	  -7.510758670447	  -0.567118534813
28
TS_CO-PdL2 (VL_PR3, r0 = 1.4, θ = 150), G = -5220.609250413159
Pd	  -1.050578760664	  -1.484686713323	  -1.179354837465
P 	  -3.049865889016	   0.029352291387	  -1.323454520504
Cl	  -2.649013303179	   1.264607711570	  -2.196087541510
Cl	  -4.176872240199	  -0.794677095359	  -2.029322191877
Cl	  -3.534660677500	   0.496676632145	   0.089121028143
P 	   0.409437063931	  -0.657938611931	   0.588946366303
Cl	   1.827911766838	  -0.472201007139	  -0.041862373103
Cl	   0.432439398348	  -1.684645757116	   1.767128196956
Cl	  -0.137188689951	   0.723271534376	   1.082312744884
C 	  -0.176566656182	  -2.948267041859	  -4.795972557466
Cl	  -0.233140810538	  -2.913676142180	  -6.549742266999
C 	  -1.318485342445	  -3.192483558530	  -4.070033670399
C 	  -1.266867507024	  -3.187575641938	  -2.651574903203
C 	  -0.016109228698	  -2.956181317047	  -1.996117354503
C 	   1.161973380260	  -2.801029714889	  -2.782293923902
C 	   1.069943473330	  -2.753802884675	  -4.153398247537
H 	  -2.257170755040	  -3.425399318921	  -4.576859819866
H 	  -2.103364412798	  -3.621070685867	  -2.098055282939
H 	   2.133075008468	  -2.686025906827	  -2.298453992130
H 	   1.961599538674	  -2.562308826460	  -4.754187750369
O 	   0.472131619793	  -4.248102416997	  -0.770018682254
S 	  -0.507791838579	  -5.144112150827	  -0.038126858149
O 	   0.060691529123	  -5.667709987875	   1.191133503554
O 	  -1.873134503739	  -4.635054019287	  -0.002313371928
C 	  -0.581843958558	  -6.610669807487	  -1.169600849960
F 	  -1.018638331571	  -6.261633718276	  -2.373142211260
F 	   0.619649228658	  -7.156392934402	  -1.299129510801
F 	  -1.409247592842	  -7.521262989693	  -0.670423862514
28
TS_CO-PdL2 (VL_PR3, r0 = 1.4, θ = 160), G = -5220.603177645998
Pd	  -1.024839318953	  -1.464754289163	  -1.152382756812
P 	  -3.121585633405	  -0.036193092096	  -1.275402102166
Cl	  -2.946298630393	   0.966632593869	  -2.463199618898
Cl	  -4.297865466540	  -1.028816444117	  -1.553873495400
Cl	  -3.386890564360	   0.746477963549	   0.053899365292
P 	   0.460992458685	  -0.602673185631	   0.605890477900
Cl	   1.933235050528	  -0.694666220776	   0.088636945387
Cl	   0.256237121780	  -1.434370959623	   1.913473958456
Cl	   0.072005221959	   0.894396567262	   0.845039950163
C 	  -0.137205054722	  -2.938157117751	  -4.780383118731
Cl	  -0.177267569287	  -2.915720820480	  -6.534443403073
C 	  -1.288819852569	  -3.160997333518	  -4.063278339393
C 	  -1.249999991084	  -3.152183523836	  -2.644316426114
C 	  -0.001305885888	  -2.936749720961	  -1.982549804465
C 	   1.186704849402	  -2.812504354670	  -2.756620221964
C 	   1.107424598405	  -2.766051335687	  -4.128582149861
H 	  -2.223980192435	  -3.389383184603	  -4.577905045205
H 	  -2.090594000002	  -3.585663597212	  -2.097614789064
H 	   2.156118545086	  -2.722387946854	  -2.265481373917
H 	   2.008008302034	  -2.596824573230	  -4.722586787991
O 	   0.449538893267	  -4.241390909625	  -0.741623112473
S 	  -0.547561653701	  -5.164881356005	  -0.071198555494
O 	  -0.011767026045	  -5.736390708616	   1.151229096377
O 	  -1.914200446426	  -4.657852090454	  -0.050200571699
C 	  -0.595014452407	  -6.590580074258	  -1.256016305713
F 	  -0.973941990073	  -6.196346458738	  -2.465306908927
F 	   0.603065785129	  -7.150806743449	  -1.352948920563
F 	  -1.455881589068	  -7.504161162743	  -0.823140726436
28
TS_CO-PdL2 (VL_PR3, r0 = 1.4, θ = 170), G = -5220.594317191296
Pd	  -1.022889555679	  -1.361775677578	  -1.132833326471
P 	  -3.094443311473	   0.143050814077	  -1.380580798176
Cl	  -2.713294860017	   1.365600809232	  -2.279348450148
Cl	  -4.205613037498	  -0.721587229157	  -2.061343287246
Cl	  -3.580917270088	   0.637034979080	   0.022682805125
P 	   0.512462156033	  -0.492400303106	   0.621980121624
Cl	   1.912953649865	  -0.306982804747	  -0.047468014197
Cl	   0.565719449184	  -1.491616297840	   1.822128371149
Cl	  -0.043382969647	   0.894358114359	   1.089160000741
C 	  -0.230239899690	  -3.120173948449	  -4.669888774720
Cl	  -0.283780871752	  -3.234328069383	  -6.419836180659
C 	  -1.385948591533	  -3.218729813638	  -3.932480937198
C 	  -1.333286668343	  -3.110340042715	  -2.517772784356
C 	  -0.068768236332	  -2.922774903049	  -1.881823528828
C 	   1.116974096447	  -2.924164027156	  -2.668039288700
C 	   1.027917067097	  -2.975227801109	  -4.039290952921
H 	  -2.334790061583	  -3.437783627007	  -4.424483359207
H 	  -2.185769494165	  -3.475174433823	  -1.939528863086
H 	   2.094068819927	  -2.857384323405	  -2.190770028318
H 	   1.931381859146	  -2.908223469790	  -4.648996592544
O 	   0.314794564589	  -4.160280661194	  -0.538755218549
S 	  -0.623527623448	  -5.264385033400	  -0.097813081895
O 	  -0.137470135902	  -5.930175757441	   1.097578956225
O 	  -2.035357123565	  -4.907100415777	  -0.156340751560
C 	  -0.394790581571	  -6.530730138604	  -1.435573999109
F 	  -0.795252050859	  -6.072748340631	  -2.614382193326
F 	   0.883658615790	  -6.872164117719	  -1.531272993761
F 	  -1.102096426097	  -7.616793559502	  -1.145791590541
28
TS_CO-PdL2 (VL_PR3, r0 = 1.4, θ = 180), G = -5220.582452414810
Pd	  -1.013468515745	  -1.298949554382	  -1.093798471096
P 	  -3.151954761301	   0.208885111255	  -1.400438842687
Cl	  -2.772836775664	   1.443528428735	  -2.283436037444
Cl	  -4.250307692964	  -0.662140665178	  -2.092679610115
Cl	  -3.647718670692	   0.690028972120	   0.004345076801
P 	   0.615157377542	  -0.394238588761	   0.629613752395
Cl	   2.064809777040	  -0.562864992238	   0.070690870096
Cl	   0.416492070637	  -1.152575523383	   1.981661308240
Cl	   0.272965908019	   1.123662317932	   0.799080907898
C 	  -0.284561034546	  -3.206517306168	  -4.582271080168
Cl	  -0.335539768016	  -3.388284917143	  -6.325832439470
C 	  -1.448396746387	  -3.220453633231	  -3.849681713963
C 	  -1.398015187112	  -3.068417310067	  -2.440012759552
C 	  -0.130156484691	  -2.912500760627	  -1.810860186411
C 	   1.058685971059	  -3.016724621748	  -2.578915169807
C 	   0.975162195470	  -3.112401106813	  -3.949368085277
H 	  -2.400594027853	  -3.421762430235	  -4.340919368494
H 	  -2.263067640113	  -3.386626075484	  -1.853095406531
H 	   2.033647209449	  -2.997548555326	  -2.095616480029
H 	   1.884298149618	  -3.122976117659	  -4.554096320483
O 	   0.151722571181	  -4.130124723272	  -0.384737128023
S 	  -0.692047746950	  -5.366816451159	  -0.165518403564
O 	  -0.244727700763	  -6.118691401662	   0.994521666827
O 	  -2.123930386946	  -5.145996948453	  -0.325603597537
C 	  -0.219813306493	  -6.451297426041	  -1.599780102709
F 	  -0.674351350979	  -5.976156868797	  -2.750919281515
F 	   1.100466183842	  -6.561910418118	  -1.684376641645
F 	  -0.733608107690	  -7.663128513470	  -1.418841196491
28
TS_CO-PdL2 (VL_PR3, r0 = 1.4, θ = 190), G = -5220.566905186652
Pd	  -0.963579038844	  -1.288834208116	  -1.067252909799
P 	  -3.314054245537	   0.088073607058	  -1.337749605591
Cl	  -3.069030194716	   1.308535620943	  -2.285638911225
Cl	  -4.404496825618	  -0.873905589632	  -1.910484054877
Cl	  -3.730096872657	   0.601526545363	   0.081905340719
P 	   0.760823719447	  -0.343514350693	   0.608935651159
Cl	   2.198760548046	  -0.556351364990	   0.035754245281
Cl	   0.574410970798	  -1.027881929939	   2.001733086372
Cl	   0.429252145937	   1.183265292434	   0.702114781408
C 	  -0.197153091278	  -3.192881092587	  -4.592228261632
Cl	  -0.214413955099	  -3.377832936407	  -6.335501331973
C 	  -1.377617615077	  -3.175773328207	  -3.885101798025
C 	  -1.355957336721	  -3.030417345465	  -2.476102352035
C 	  -0.102233105534	  -2.893996540553	  -1.823756061575
C 	   1.100154847072	  -3.038948224190	  -2.558102374023
C 	   1.047832841788	  -3.137673929614	  -3.930857400299
H 	  -2.320920554136	  -3.357751188339	  -4.398323907789
H 	  -2.237214653649	  -3.330764969676	  -1.905465904349
H 	   2.060303805346	  -3.058825961341	  -2.049332874022
H 	   1.969901762825	  -3.185364248730	  -4.513236834212
O 	   0.110291337920	  -4.115928182147	  -0.379281983725
S 	  -0.769420657734	  -5.331653068976	  -0.185175059413
O 	  -0.367751965014	  -6.100652825427	   0.980246260313
O 	  -2.191181167690	  -5.072302466444	  -0.374829177233
C 	  -0.299084141601	  -6.426467508854	  -1.613580947762
F 	  -0.735857287980	  -5.949310447756	  -2.770693154327
F 	   1.019923482396	  -6.557832779222	  -1.685841484031
F 	  -0.833281243796	  -7.629536657901	  -1.433037718085
28
TS_CO-PdL2 (VL_PR3, r0 = 1.4, θ = 200), G = -5220.549467231505
Pd	  -0.778705073973	  -1.241829893814	  -0.988916302116
P 	  -3.625035498292	  -0.108139976077	  -1.251500024324
Cl	  -3.495806418204	   1.195159695953	  -2.108956124002
Cl	  -4.692777006638	  -1.080765136102	  -1.848494791562
Cl	  -3.990235798213	   0.279940085244	   0.221347895804
P 	   1.049431283863	  -0.355795796756	   0.570760999193
Cl	   2.479236565223	  -0.793095906419	   0.118684511572
Cl	   0.740234468848	  -0.785940110164	   2.041677026871
Cl	   0.865275879227	   1.190685005506	   0.413418429576
C 	  -0.094246134117	  -3.177607308272	  -4.624101063963
Cl	  -0.051653270149	  -3.349773768240	  -6.367473305302
C 	  -1.304586943175	  -3.084141720056	  -3.966258473731
C 	  -1.336116786605	  -2.955729255678	  -2.564312072508
C 	  -0.117259798922	  -2.880804236244	  -1.855237166482
C 	   1.105577484419	  -3.091551947462	  -2.531461894288
C 	   1.114517605771	  -3.201440191310	  -3.907680104431
H 	  -2.234600946738	  -3.175841581026	  -4.524736060611
H 	  -2.271726654208	  -3.112854403102	  -2.029075287005
H 	   2.033058888375	  -3.175765573395	  -1.973041396146
H 	   2.057506905636	  -3.324485204399	  -4.442737821154
O 	  -0.030035001801	  -4.023402981395	  -0.380001149701
S 	  -0.917069396188	  -5.247331862102	  -0.234009051440
O 	  -0.611817794951	  -5.968813564807	   0.988385412603
O 	  -2.313981642971	  -5.005369810058	  -0.562943824463
C 	  -0.309219521649	  -6.379207078715	  -1.578303562671
F 	  -0.636131699899	  -5.935732436085	  -2.783301680037
F 	   1.010409593539	  -6.505313534732	  -1.519947587833
F 	  -0.855931779261	  -7.578051589689	  -1.412670272619
28
TS_CO-PdL2 (VL_PR3, r0 = 1.5, θ = 120), G = -5221.233720599903
Pd	  -1.071173185716	  -1.600793843428	  -1.231666256435
P 	  -3.013079549990	  -0.092957424022	  -1.197808541434
Cl	  -2.776560348056	   1.030073867966	  -2.345852171329
Cl	  -4.322688094366	  -0.974018088390	  -1.576548499182
Cl	  -3.281676841521	   0.652984518535	   0.219018482791
P 	   0.250721044467	  -0.900000903514	   0.626145172354
Cl	   1.670534790335	  -1.681819718152	   0.685723521199
Cl	  -0.566645267040	  -1.168695119260	   2.001863664487
Cl	   0.528081034058	   0.691678405118	   0.469281506854
C 	  -0.158695628593	  -2.791904049833	  -4.947764491548
Cl	  -0.220432681056	  -2.652654176567	  -6.694781832801
C 	  -1.286935468143	  -3.142005151234	  -4.242662535933
C 	  -1.231389464734	  -3.222017918295	  -2.827032294197
C 	   0.001974235340	  -2.953152227365	  -2.166316561533
C 	   1.170653366892	  -2.678053227782	  -2.924832515681
C 	   1.074792125260	  -2.560394933837	  -4.292467621076
H 	  -2.214433849997	  -3.387648552527	  -4.764010528357
H 	  -2.051607920348	  -3.708733378685	  -2.292113848639
H 	   2.126242081207	  -2.515777898237	  -2.422177638476
H 	   1.950946463833	  -2.275389323510	  -4.878793493908
O 	   0.577536953136	  -4.307856621638	  -0.989569359518
S 	  -0.358720822503	  -5.035006685286	  -0.049928403270
O 	   0.293757480963	  -5.407106972054	   1.193517117385
O 	  -1.697867838638	  -4.459202227833	   0.025759501105
C 	  -0.602933957922	  -6.633413954004	  -0.952271152624
F 	  -1.136856296800	  -6.417503187159	  -2.148911951994
F 	   0.554174886917	  -7.260473928033	  -1.113620280293
F 	  -1.419405738075	  -7.421157360387	  -0.263063728727
28
TS_CO-PdL2 (VL_PR3, r0 = 1.5, θ = 130), G = -5221.231755957545
Pd	  -1.062425122234	  -1.593483036961	  -1.213454500324
P 	  -3.034278199044	  -0.114087709478	  -1.204460949033
Cl	  -2.825260931592	   0.985841711062	  -2.379854153184
Cl	  -4.327772054382	  -1.029730160497	  -1.555558431923
Cl	  -3.309875556976	   0.659009376006	   0.196366931551
P 	   0.273415102948	  -0.860999839465	   0.630535355294
Cl	   1.685441109108	  -1.655124151450	   0.707479932366
Cl	  -0.542802374029	  -1.077824921390	   2.016012385007
Cl	   0.565545700527	   0.722291593557	   0.423181486139
C 	  -0.153084731241	  -2.804131288157	  -4.926524914312
Cl	  -0.217232874974	  -2.677134576307	  -6.674332684334
C 	  -1.280521858146	  -3.148335857592	  -4.217323237507
C 	  -1.222894348811	  -3.218935721536	  -2.801153016325
C 	   0.012126911697	  -2.947690186578	  -2.144854626736
C 	   1.180135055993	  -2.680757220291	  -2.906812816465
C 	   1.081942750640	  -2.570825642407	  -4.274968562398
H 	  -2.208097237092	  -3.399170016372	  -4.735963402700
H 	  -2.040300842286	  -3.706932993237	  -2.263105077914
H 	   2.137369184753	  -2.518932051597	  -2.407504311884
H 	   1.957637097705	  -2.291448858253	  -4.864682480397
O 	   0.586530198358	  -4.305002227876	  -0.962693200997
S 	  -0.356879773866	  -5.053654839187	  -0.048101639256
O 	   0.293550904297	  -5.479852922116	   1.178910269533
O 	  -1.688258988982	  -4.463618063319	   0.052016813440
C 	  -0.625984959310	  -6.616877903762	  -1.003953828728
F 	  -1.160111240607	  -6.355142989323	  -2.191318291118
F 	   0.521863823189	  -7.254401165570	  -1.189947453379
F 	  -1.451465236695	  -7.416048417312	  -0.338820335109
28
TS_CO-PdL2 (VL_PR3, r0 = 1.5, θ = 140), G = -5221.229002742423
Pd	  -1.054616521788	  -1.526495506284	  -1.190715178329
P 	  -3.035316360886	  -0.036453881254	  -1.234165355382
Cl	  -2.818047586300	   1.039754868203	  -2.429840632231
Cl	  -4.324470472114	  -0.961690055472	  -1.575753953243
Cl	  -3.321919362386	   0.764578927196	   0.148686214104
P 	   0.336169781556	  -0.776130309242	   0.622049682181
Cl	   1.859119747380	  -1.311208170388	   0.464188757395
Cl	  -0.281862496936	  -1.292944379375	   2.030219319339
Cl	   0.347898366612	   0.847294074139	   0.606047178286
C 	  -0.173672164298	  -2.892317125832	  -4.866165655899
Cl	  -0.231784367067	  -2.830823251699	  -6.617406637579
C 	  -1.312233660172	  -3.172129663521	  -4.146547972303
C 	  -1.257852230867	  -3.192637813566	  -2.728878564513
C 	  -0.015501447391	  -2.936924118741	  -2.081280616311
C 	   1.161494794732	  -2.742488069588	  -2.849822580671
C 	   1.068016239444	  -2.679194808125	  -4.221433755447
H 	  -2.246508139684	  -3.414706263462	  -4.656859709390
H 	  -2.086753262244	  -3.642482458344	  -2.176074483721
H 	   2.125172175833	  -2.600967878649	  -2.357738678999
H 	   1.954013950879	  -2.455114147008	  -4.819146133092
O 	   0.519016286913	  -4.239496370594	  -0.817859864371
S 	  -0.458691986180	  -5.101218213752	  -0.049527440831
O 	   0.106096864393	  -5.583642302271	   1.198769648238
O 	  -1.823654731311	  -4.586657977653	  -0.030015544988
C 	  -0.543616478243	  -6.604043689711	  -1.130038497788
F 	  -0.973005085602	  -6.287957374733	  -2.346045135662
F 	   0.652621268555	  -7.165919711168	  -1.238912878336
F 	  -1.381801613910	  -7.490984408525	  -0.606616271234
28
TS_CO-PdL2 (VL_PR3, r0 = 1.5, θ = 150), G = -5221.225300894640
Pd	  -1.037737365764	  -1.501015126424	  -1.173902965200
P 	  -3.075708194931	  -0.058392691606	  -1.233765156487
Cl	  -2.897911281822	   1.026927857045	  -2.427587669286
Cl	  -4.336466622312	  -1.023882852852	  -1.569130287603
Cl	  -3.378137191705	   0.729701233399	   0.153215218718
P 	   0.399204710926	  -0.699440813917	   0.601535835548
Cl	   1.954401452936	  -1.028948701021	   0.279800460548
Cl	  -0.029397933231	  -1.374142181306	   2.012956354216
Cl	   0.219727060597	   0.911162289552	   0.702098327523
C 	  -0.148070257487	  -2.919374317815	  -4.837727852252
Cl	  -0.195716467899	  -2.883504351267	  -6.589796044886
C 	  -1.295240030176	  -3.166969622950	  -4.119938151581
C 	  -1.247999458399	  -3.170229856570	  -2.701973333566
C 	  -0.004454871368	  -2.927758852975	  -2.052792526444
C 	   1.180569461504	  -2.775053935254	  -2.817112250821
C 	   1.094829536908	  -2.726666611977	  -4.189982824558
H 	  -2.229884017993	  -3.403509581123	  -4.632011759768
H 	  -2.082580243351	  -3.608216776989	  -2.148457990065
H 	   2.146557767877	  -2.655539538617	  -2.325000113779
H 	   1.989130017912	  -2.533200952139	  -4.785936881603
O 	   0.486492936607	  -4.236881660862	  -0.768333457351
S 	  -0.511957086146	  -5.120972663845	  -0.055020759897
O 	   0.018402163722	  -5.646261934860	   1.191073456227
O 	  -1.876092296908	  -4.603331579559	  -0.053370337512
C 	  -0.574906967701	  -6.591653246051	  -1.181158814200
F 	  -0.965974547657	  -6.239977572041	  -2.400440950859
F 	   0.620684746546	  -7.158706126919	  -1.270632054690
F 	  -1.433453511771	  -7.487159910497	  -0.707492211046
28
TS_CO-PdL2 (VL_PR3, r0 = 1.5, θ = 160), G = -5221.218808156763
Pd	  -1.021790203612	  -1.465036856611	  -1.152021632138
P 	  -3.116466773097	  -0.058166602025	  -1.255582021490
Cl	  -2.972418334876	   1.004930536233	  -2.473511104263
Cl	  -4.357969966253	  -1.059853120857	  -1.553274585585
Cl	  -3.420324446095	   0.754509539281	   0.117012532465
P 	   0.461417330957	  -0.623112555967	   0.592562104968
Cl	   2.001948924953	  -0.708236358399	   0.092278185090
Cl	   0.269253276243	  -1.461666518328	   1.967328619524
Cl	   0.090126855317	   0.934618708887	   0.861733988111
C 	  -0.127608263956	  -2.958360031451	  -4.796632387869
Cl	  -0.163760904244	  -2.960930492096	  -6.549174278176
C 	  -1.283681148083	  -3.166160971730	  -4.080646964080
C 	  -1.244497865139	  -3.144256143093	  -2.662690358681
C 	  -0.000039841474	  -2.916120266859	  -2.011799313508
C 	   1.192345450013	  -2.809265815669	  -2.771462985526
C 	   1.115668965918	  -2.784086230976	  -4.145592066945
H 	  -2.218191749712	  -3.398940142052	  -4.594003886879
H 	  -2.085833003558	  -3.566364668165	  -2.107279588827
H 	   2.158723720766	  -2.710818304819	  -2.277072239902
H 	   2.018231356502	  -2.627136921287	  -4.739716183604
O 	   0.444999248255	  -4.231394138251	  -0.708141289359
S 	  -0.566526570116	  -5.152724495737	  -0.064624694437
O 	  -0.068924550861	  -5.729916980208	   1.171793551762
O 	  -1.933903009020	  -4.643795468695	  -0.078300946262
C 	  -0.589821145576	  -6.577634305112	  -1.250895929637
F 	  -0.934166883571	  -6.180637634345	  -2.470359899355
F 	   0.607738087148	  -7.144182768765	  -1.317409286518
F 	  -1.466217047980	  -7.488261072552	  -0.843402079785
28
TS_CO-PdL2 (VL_PR3, r0 = 1.5, θ = 170), G = -5221.209928542345
Pd	  -1.014003461275	  -1.397360025922	  -1.107411487704
P 	  -3.158490071138	  -0.001535947504	  -1.269928936963
Cl	  -3.291975747417	   0.589757553820	  -2.775058355238
Cl	  -4.407127931213	  -0.986122060095	  -0.946844702365
Cl	  -3.190683749019	   1.237591602216	  -0.220272911433
P 	   0.513509223912	  -0.551955652081	   0.634852889077
Cl	   2.056180148395	  -0.758199232377	   0.179103219694
Cl	   0.238301235473	  -1.295689635210	   2.049510510551
Cl	   0.228023393473	   1.037614658256	   0.803424996037
C 	  -0.139441345591	  -3.016032669113	  -4.720519222714
Cl	  -0.157902236651	  -3.077929209173	  -6.471886823530
C 	  -1.310042327238	  -3.149874159171	  -4.011060860642
C 	  -1.283910945137	  -3.090330250012	  -2.593815309190
C 	  -0.037861053947	  -2.896087242208	  -1.939806452290
C 	   1.165556796452	  -2.871018111235	  -2.686780980919
C 	   1.104149941267	  -2.882348046275	  -4.061934995240
H 	  -2.245539869475	  -3.366743908017	  -4.528328050508
H 	  -2.140406652888	  -3.480324258541	  -2.038074944294
H 	   2.130566101644	  -2.811501232437	  -2.185751505145
H 	   2.019222759722	  -2.790925449625	  -4.650479173939
O 	   0.332235724336	  -4.188714057297	  -0.575937170391
S 	  -0.655594917096	  -5.241234238933	  -0.127550053214
O 	  -0.227132664066	  -5.905541210146	   1.090767395182
O 	  -2.051572796702	  -4.828802331170	  -0.222779096717
C 	  -0.457691302617	  -6.539440807522	  -1.438437044910
F 	  -0.720145578785	  -6.053486258165	  -2.645527639374
F 	   0.782250767004	  -7.011509227498	  -1.438713470490
F 	  -1.292161932596	  -7.545258674008	  -1.201644564183
28
TS_CO-PdL2 (VL_PR3, r0 = 1.5, θ = 180), G = -5221.197936910315
Pd	  -0.987228568138	  -1.376691581703	  -1.097325167841
P 	  -3.240080279387	  -0.033021327370	  -1.264184486118
Cl	  -3.140529158183	   1.039241756168	  -2.478308423173
Cl	  -4.454171205638	  -1.073687659497	  -1.536568898886
Cl	  -3.540548727302	   0.773507338435	   0.113545863080
P 	   0.624960969123	  -0.471328756399	   0.608364074525
Cl	   2.148310395948	  -0.619517584096	   0.072561921715
Cl	   0.449178167765	  -1.218287172070	   2.037020547868
Cl	   0.280649249428	   1.105781001673	   0.784047426303
C 	  -0.136449937045	  -3.075561143152	  -4.709316190825
Cl	  -0.158223596994	  -3.187467148874	  -6.457842073797
C 	  -1.309030509537	  -3.166043540657	  -3.995297391423
C 	  -1.280226246547	  -3.073584198195	  -2.581042106821
C 	  -0.031686980606	  -2.885429767890	  -1.935310540266
C 	   1.171144039391	  -2.906954204972	  -2.680278211072
C 	   1.109090192842	  -2.952949029326	  -4.055389388438
H 	  -2.246881205522	  -3.383667474149	  -4.506533576928
H 	  -2.138469394195	  -3.441634902612	  -2.013706462381
H 	   2.136935319127	  -2.862535616223	  -2.181609192992
H 	   2.025448229353	  -2.901690093619	  -4.646635489878
O 	   0.298282221488	  -4.166336886320	  -0.541931977013
S 	  -0.694438003494	  -5.227546532948	  -0.126696690468
O 	  -0.289750758192	  -5.905388190628	   1.092179485387
O 	  -2.089453470157	  -4.817586088663	  -0.244913593044
C 	  -0.470235437318	  -6.514676662017	  -1.445174395997
F 	  -0.714030693683	  -6.022299666407	  -2.653480007207
F 	   0.771035379056	  -6.983106529404	  -1.428269360532
F 	  -1.305288482663	  -7.524538418497	  -1.228790434567
28
TS_CO-PdL2 (VL_PR3, r0 = 1.5, θ = 190), G = -5221.181940678657
Pd	  -0.947732054879	  -1.299246859504	  -1.050651822541
P 	  -3.337807048447	   0.027532228962	  -1.287944754135
Cl	  -3.241195077433	   1.121853229959	  -2.482629909919
Cl	  -4.548271826958	  -1.014288187271	  -1.569418007777
Cl	  -3.634794304006	   0.816268035115	   0.101311958107
P 	   0.770159234740	  -0.389404601824	   0.614610590949
Cl	   2.285898186553	  -0.671262997341	   0.112742596860
Cl	   0.532584539124	  -1.012209181593	   2.093051110693
Cl	   0.514966908549	   1.213455327101	   0.663638204692
C 	  -0.161011975030	  -3.176779486165	  -4.627321337692
Cl	  -0.161626305327	  -3.362360965717	  -6.368977877805
C 	  -1.350401418258	  -3.158138993863	  -3.933143533373
C 	  -1.340571202966	  -3.018189720189	  -2.525154574662
C 	  -0.097040830374	  -2.874483727131	  -1.868603299061
C 	   1.114115261632	  -3.017714567477	  -2.579411701618
C 	   1.075847700951	  -3.120880339232	  -3.953831999140
H 	  -2.289020733540	  -3.338035133108	  -4.455326072235
H 	  -2.228547951054	  -3.307803515979	  -1.959122670958
H 	   2.067695353148	  -3.032056239957	  -2.059372032229
H 	   2.004185725555	  -3.169631364928	  -4.525792131349
O 	   0.100359056161	  -4.109936964271	  -0.386101620899
S 	  -0.801345330406	  -5.307374317486	  -0.195389621030
O 	  -0.445727367310	  -6.068715193484	   0.989921702814
O 	  -2.214028049712	  -5.029718010389	  -0.427107336713
C 	  -0.310727212840	  -6.425533529701	  -1.596897040208
F 	  -0.672270496891	  -5.932873744139	  -2.774052491307
F 	   1.004104765361	  -6.609013134660	  -1.607328710905
F 	  -0.899486037425	  -7.606458125129	  -1.442582359321
28
TS_CO-PdL2 (VL_PR3, r0 = 1.6, θ = 120), G = -5221.685119151181
Pd	  -1.076975431279	  -1.609514019391	  -1.238300365509
P 	  -3.020394677777	  -0.131270850105	  -1.150787507398
Cl	  -2.830182385161	   1.084599119494	  -2.306134766082
Cl	  -4.399583161139	  -1.016368263124	  -1.554978917330
Cl	  -3.321159722490	   0.617570411704	   0.332017886472
P 	   0.273995967230	  -0.913740927051	   0.581644749039
Cl	   1.792928141658	  -1.646282791057	   0.611215206650
Cl	  -0.488844482081	  -1.240952058105	   2.050593816767
Cl	   0.513544582072	   0.754205618776	   0.481554421801
C 	  -0.129508136935	  -2.814003936744	  -4.972906592757
Cl	  -0.175836126561	  -2.698455825573	  -6.720206311063
C 	  -1.265794225583	  -3.157311201164	  -4.274926722375
C 	  -1.219662676538	  -3.225082376436	  -2.859866748768
C 	   0.002037060829	  -2.933422221639	  -2.201612557103
C 	   1.179700748378	  -2.668623336036	  -2.938826605064
C 	   1.096626644776	  -2.573102693071	  -4.310782743545
H 	  -2.187458522695	  -3.412617154808	  -4.801482886847
H 	  -2.042934220784	  -3.702602223372	  -2.320551193633
H 	   2.127315629526	  -2.492486578849	  -2.426780872792
H 	   1.978167568943	  -2.295650320843	  -4.892436395342
O 	   0.569669149035	  -4.297870829047	  -0.953869793529
S 	  -0.397567711893	  -5.012075968984	  -0.041798225424
O 	   0.203106351765	  -5.374127898373	   1.230822815693
O 	  -1.738392051434	  -4.431228641798	  -0.021267775260
C 	  -0.619452282154	  -6.619123795126	  -0.933967276080
F 	  -1.115715359299	  -6.413204164073	  -2.149106456345
F 	   0.539952297507	  -7.251531147293	  -1.054402390495
F 	  -1.459271459011	  -7.398726007300	  -0.263740534482
28
TS_CO-PdL2 (VL_PR3, r0 = 1.6, θ = 130), G = -5221.683120185087
Pd	  -1.069502805390	  -1.546550504803	  -1.213681452095
P 	  -3.022596961093	  -0.065869721794	  -1.176676926779
Cl	  -2.830652666390	   1.123580572232	  -2.358933472759
Cl	  -4.392670104752	  -0.969475086917	  -1.570862028815
Cl	  -3.339512387379	   0.715119213716	   0.286035690696
P 	   0.313056539646	  -0.834878946204	   0.584912126296
Cl	   1.879914417357	  -1.454464937188	   0.509223131008
Cl	  -0.357757779296	  -1.285016668238	   2.066069654769
Cl	   0.432659011186	   0.848840789246	   0.559035768891
C 	  -0.156080016180	  -2.904779219678	  -4.911154527006
Cl	  -0.203632944598	  -2.858313336700	  -6.661408142871
C 	  -1.299121453739	  -3.188654299790	  -4.198133417210
C 	  -1.250255385117	  -3.202897331708	  -2.781508531387
C 	  -0.018665493884	  -2.921097216284	  -2.137760762528
C 	   1.163507186635	  -2.719229568182	  -2.886825605746
C 	   1.078356846715	  -2.673857074549	  -4.261223768442
H 	  -2.228551400464	  -3.441495777304	  -4.712028545948
H 	  -2.080340550913	  -3.647109206909	  -2.224705377055
H 	   2.118383387974	  -2.552565452394	  -2.385761723309
H 	   1.965772121165	  -2.445418588763	  -4.854979712083
O 	   0.525606026946	  -4.224382015068	  -0.813048462047
S 	  -0.462565820896	  -5.061254590121	  -0.036744231143
O 	   0.076805936374	  -5.513282692891	   1.234396137407
O 	  -1.827435292570	  -4.542128208931	  -0.052451421032
C 	  -0.540235422868	  -6.589266846844	  -1.081005810108
F 	  -0.941965365420	  -6.297107944562	  -2.312950476197
F 	   0.652689556746	  -7.164344879631	  -1.153284022103
F 	  -1.396897670878	  -7.457100539055	  -0.555428833141
28
TS_CO-PdL2 (VL_PR3, r0 = 1.6, θ = 140), G = -5221.680284357734
Pd	  -1.050400519840	  -1.528740957537	  -1.194468967204
P 	  -3.047273488085	  -0.086343307658	  -1.185939449255
Cl	  -2.876473562251	   1.098064115092	  -2.376418102190
Cl	  -4.390664344979	  -1.028491496896	  -1.581519599339
Cl	  -3.394181921995	   0.697983956869	   0.268188995382
P 	   0.359633145037	  -0.786152279946	   0.584330984004
Cl	   1.965255860960	  -1.269855323684	   0.403291683547
Cl	  -0.199381677754	  -1.349906937676	   2.072838031543
Cl	   0.345434839844	   0.901450195414	   0.629719879335
C 	  -0.147239741690	  -2.920182257929	  -4.890471693128
Cl	  -0.195701022189	  -2.889775475258	  -6.640904702297
C 	  -1.293866441336	  -3.179167513513	  -4.173680294986
C 	  -1.243171145098	  -3.182319410387	  -2.757144583128
C 	  -0.007032828449	  -2.912425645442	  -2.117872349673
C 	   1.178078121610	  -2.743531551312	  -2.869086440691
C 	   1.091830334332	  -2.707525924742	  -4.243943318339
H 	  -2.226756138225	  -3.425215926648	  -4.684390953901
H 	  -2.075700640108	  -3.616559208846	  -2.196253455740
H 	   2.138098474687	  -2.595392488889	  -2.373017624599
H 	   1.983065260367	  -2.502329623154	  -4.840374509836
O 	   0.510055561818	  -4.220718289404	  -0.775081061023
S 	  -0.495841451217	  -5.072733754162	  -0.040008120022
O 	   0.015106532258	  -5.559737936723	   1.230016643185
O 	  -1.858079487441	  -4.546919647444	  -0.069573432874
C 	  -0.560397742688	  -6.577734209431	  -1.118781972728
F 	  -0.934111625227	  -6.258943957065	  -2.352992549083
F 	   0.630672472081	  -7.158412480320	  -1.177826485511
F 	  -1.432645315516	  -7.451382742746	  -0.629521292275
28
TS_CO-PdL2 (VL_PR3, r0 = 1.6, θ = 150), G = -5221.676226477746
Pd	  -1.038008728610	  -1.504559303954	  -1.175186847318
P 	  -3.081976625556	  -0.097826578155	  -1.191155557327
Cl	  -2.933805381481	   1.093366690566	  -2.377785486699
Cl	  -4.404239168904	  -1.067757517410	  -1.590234316728
Cl	  -3.445716503583	   0.674470434257	   0.265357107239
P 	   0.412260147618	  -0.718644212301	   0.574293493027
Cl	   2.036191953929	  -1.059922023929	   0.272020626978
Cl	  -0.004966144035	  -1.378794453593	   2.069343998426
Cl	   0.267382450919	   0.959615025181	   0.689545722687
C 	  -0.130644654622	  -2.946630200643	  -4.861708853633
Cl	  -0.170961412641	  -2.942819196607	  -6.612457102585
C 	  -1.284090651521	  -3.176438382472	  -4.145865806850
C 	  -1.238748353228	  -3.162040878935	  -2.729282033816
C 	  -0.001333058589	  -2.902811161641	  -2.089685932460
C 	   1.189663988840	  -2.769687444596	  -2.837582117886
C 	   1.109452013549	  -2.749332805691	  -4.213249639291
H 	  -2.217352871072	  -3.418797462656	  -4.657293900573
H 	  -2.075775001264	  -3.585405111323	  -2.166844840444
H 	   2.151714359354	  -2.638916112004	  -2.341808878565
H 	   2.007302953110	  -2.571228084876	  -4.808392229247
O 	   0.479381677832	  -4.218450298042	  -0.730601310491
S 	  -0.539342353621	  -5.096964573344	  -0.047314732495
O 	  -0.056566779483	  -5.624620524590	   1.217454120146
O 	  -1.902570574950	  -4.574491907948	  -0.089822335634
C 	  -0.576468713037	  -6.570131767448	  -1.171303980295
F 	  -0.910013633361	  -6.216420078904	  -2.407680144748
F 	   0.613929412265	  -7.154330503566	  -1.209722622470
F 	  -1.466386838945	  -7.453431644760	  -0.733921139733
28
TS_CO-PdL2 (VL_PR3, r0 = 1.6, θ = 160), G = -5221.670089016294
Pd	  -1.015709142124	  -1.484450943625	  -1.145643333741
P 	  -3.132900026931	  -0.131672912926	  -1.190799174829
Cl	  -3.175184746282	   0.799199448175	  -2.597937311738
Cl	  -4.450855726128	  -1.185207236336	  -1.211902006219
Cl	  -3.348095585222	   0.917319766741	   0.114794254797
P 	   0.464421288083	  -0.675729014807	   0.595635012184
Cl	   2.088016735429	  -0.985845455456	   0.260066341948
Cl	   0.089343093606	  -1.338166050827	   2.100698309971
Cl	   0.287476545333	   0.999758766051	   0.706117038002
C 	  -0.093804437743	  -2.942453699709	  -4.836967943372
Cl	  -0.119133950084	  -2.950872143265	  -6.587758718470
C 	  -1.255782062329	  -3.153537537266	  -4.129160065267
C 	  -1.222153356801	  -3.134041335316	  -2.712592439976
C 	   0.012302219348	  -2.887483853656	  -2.065138236996
C 	   1.211379714016	  -2.779058529666	  -2.802750935018
C 	   1.143286188837	  -2.761778064461	  -4.179359620622
H 	  -2.185347107891	  -3.393217625292	  -4.647838989018
H 	  -2.065181492638	  -3.552459948845	  -2.155853902368
H 	   2.172181864964	  -2.667906301462	  -2.301427818120
H 	   2.049229395002	  -2.602543845677	  -4.767494062124
O 	   0.450479574859	  -4.225311963348	  -0.704504843144
S 	  -0.584861370356	  -5.121202394614	  -0.071483521541
O 	  -0.130454958160	  -5.693627642052	   1.184167414440
O 	  -1.945115474846	  -4.591533100596	  -0.122950104576
C 	  -0.608117492401	  -6.560096943875	  -1.240207072117
F 	  -0.923240924649	  -6.171603716989	  -2.471073571959
F 	   0.581760527887	  -7.145694913057	  -1.278565171355
F 	  -1.505627783864	  -7.453782887262	  -0.840954269545
28
TS_CO-PdL2 (VL_PR3, r0 = 1.6, θ = 170), G = -5221.660672734371
Pd	  -1.007253981453	  -1.403959407477	  -1.100664476158
P 	  -3.162046271738	  -0.035161008149	  -1.234224033240
Cl	  -3.393615973899	   0.531972994126	  -2.806363611758
Cl	  -4.467641648244	  -1.019049289215	  -0.816549008781
Cl	  -3.192859952345	   1.305327953652	  -0.207319483885
P 	   0.512320202324	  -0.587887928258	   0.637670773114
Cl	   2.129858141772	  -0.911120044280	   0.285933666291
Cl	   0.145889020008	  -1.235995835058	   2.150997693275
Cl	   0.344571624903	   1.089311652600	   0.735900680741
C 	  -0.124452269046	  -3.026285021587	  -4.746548397981
Cl	  -0.139643922208	  -3.108272939711	  -6.495288555717
C 	  -1.298589842250	  -3.155260301580	  -4.039393885967
C 	  -1.272013628308	  -3.085471946283	  -2.624345373313
C 	  -0.032209509394	  -2.870256357854	  -1.980332966054
C 	   1.174620005997	  -2.848633095556	  -2.710807611072
C 	   1.115811721582	  -2.880496028278	  -4.087753332135
H 	  -2.232020544693	  -3.381725186588	  -4.555880563100
H 	  -2.128053027252	  -3.466153470613	  -2.060053892609
H 	   2.136318846529	  -2.769192211644	  -2.207350462806
H 	   2.031888557902	  -2.791217170974	  -4.674862085162
O 	   0.330298706293	  -4.183676739508	  -0.557679884786
S 	  -0.669254707904	  -5.228060773884	  -0.129360395542
O 	  -0.276895000238	  -5.900400799464	   1.097308695904
O 	  -2.062039180398	  -4.807549528329	  -0.254006924431
C 	  -0.457208509053	  -6.527464045053	  -1.436810407585
F 	  -0.691321579711	  -6.038311019253	  -2.649296781350
F 	   0.778497169732	  -7.011022815503	  -1.414463482758
F 	  -1.304642940017	  -7.526989715696	  -1.219340633933
28
TS_CO-PdL2 (VL_PR3, r0 = 1.6, θ = 180), G = -5221.648307697070
Pd	  -0.970834383752	  -1.385292308470	  -1.084837865081
P 	  -3.263923401096	  -0.090857432917	  -1.217123090041
Cl	  -3.185808282127	   1.121095127483	  -2.389124255280
Cl	  -4.529390303945	  -1.136945976150	  -1.603569285242
Cl	  -3.652422420208	   0.656151906819	   0.247175992076
P 	   0.646897330321	  -0.495145099853	   0.585207012681
Cl	   2.251222355208	  -0.823996701055	   0.182574467135
Cl	   0.345121269443	  -1.077197270539	   2.139211947205
Cl	   0.464065768268	   1.183091782674	   0.616352057874
C 	  -0.120572350728	  -3.084278783027	  -4.738190169555
Cl	  -0.140011617015	  -3.212116906066	  -6.483826464920
C 	  -1.296776508867	  -3.168887321623	  -4.026467266102
C 	  -1.267144872084	  -3.068905494087	  -2.614740227485
C 	  -0.024527674247	  -2.861548650245	  -1.978974349445
C 	   1.181526782774	  -2.890131774197	  -2.707327978204
C 	   1.122072153048	  -2.954750198975	  -4.083813730813
H 	  -2.233521626951	  -3.392022197852	  -4.537014610559
H 	  -2.125872520769	  -3.423926374124	  -2.038666755327
H 	   2.144465652666	  -2.833426809551	  -2.205885341149
H 	   2.039987333300	  -2.909232769337	  -4.672887181898
O 	   0.297044529717	  -4.156982317232	  -0.527019508319
S 	  -0.709385941447	  -5.204017528907	  -0.120981572634
O 	  -0.338862558285	  -5.881585830524	   1.109351079573
O 	  -2.099407793528	  -4.781765232454	  -0.267817789081
C 	  -0.478327847614	  -6.501536767608	  -1.427966936113
F 	  -0.695757927705	  -6.012623509958	  -2.643459666236
F 	   0.757008816781	  -6.985065739648	  -1.388909428577
F 	  -1.328552452228	  -7.501099901997	  -1.222153825265
28
TS_CO-PdL2 (VL_PR3, r0 = 1.6, θ = 190), G = -5221.633795019266
Pd	  -0.885136230011	  -1.347976799047	  -1.047055411170
P 	  -3.410217026445	  -0.167305228283	  -1.222382368155
Cl	  -3.319857464957	   1.223795031745	  -2.174904357711
Cl	  -4.614578820904	  -1.170948230164	  -1.843809893273
Cl	  -3.892611354004	   0.326654783402	   0.319416573517
P 	   0.818776419262	  -0.437519803508	   0.561453438589
Cl	   2.409193640805	  -0.637631855888	   0.037967270569
Cl	   0.663804106281	  -1.080641561306	   2.112886156031
Cl	   0.515042887182	   1.220690427994	   0.658178048405
C 	  -0.071284216269	  -3.115344094799	  -4.726075736583
Cl	  -0.063357909293	  -3.265688252288	  -6.469656697304
C 	  -1.264349830368	  -3.147984893482	  -4.035144112245
C 	  -1.259613080622	  -3.037038214930	  -2.627358473205
C 	  -0.028276880484	  -2.858695509027	  -1.969939702517
C 	   1.189543049631	  -2.939434928526	  -2.670968648475
C 	   1.159303695614	  -3.024644693389	  -4.048523184502
H 	  -2.197595030819	  -3.340093708139	  -4.562745995067
H 	  -2.145672665787	  -3.332276772527	  -2.061332046873
H 	   2.139866937222	  -2.922771772058	  -2.145973720802
H 	   2.090730517741	  -3.031063668571	  -4.617264501762
O 	   0.222088614980	  -4.119689795164	  -0.494665626395
S 	  -0.790978861278	  -5.179305882889	  -0.132328071803
O 	  -0.453953199854	  -5.861279137244	   1.104690583528
O 	  -2.176645221401	  -4.763797150353	  -0.323368964345
C 	  -0.511903010752	  -6.468563293732	  -1.438701659244
F 	  -0.705731002923	  -5.978779554503	  -2.657294679387
F 	   0.727367400262	  -6.938166210876	  -1.370956334402
F 	  -1.355643953885	  -7.477499311836	  -1.255026626221
28
TS_CO-PdL2 (VL_PR3, r0 = 1.7, θ = 120), G = -5221.997633033053
Pd	  -1.092828916362	  -1.548110002913	  -1.240921046969
P 	  -3.007726739194	  -0.053000673726	  -1.127358534130
Cl	  -2.778328718887	   1.312163605733	  -2.212165549786
Cl	  -4.464663684577	  -0.876586703940	  -1.667370528621
Cl	  -3.395872805060	   0.628312632011	   0.447065184746
P 	   0.298311136320	  -0.873606548538	   0.539118726223
Cl	   1.951039700894	  -1.466035140410	   0.460507557412
Cl	  -0.347510949439	  -1.388998581410	   2.090807733478
Cl	   0.417628503139	   0.880031054672	   0.605943399847
C 	  -0.145172082570	  -2.968630537808	  -4.945168513567
Cl	  -0.177967358573	  -2.974921358803	  -6.694468858647
C 	  -1.294634641605	  -3.241248081371	  -4.235105949295
C 	  -1.254225711354	  -3.220415547695	  -2.820245494997
C 	  -0.035440680748	  -2.901441037640	  -2.184299988924
C 	   1.153115843536	  -2.707340691646	  -2.915111836174
C 	   1.080141800659	  -2.707818260096	  -4.292785523037
H 	  -2.217987551810	  -3.514882359331	  -4.748919082658
H 	  -2.087695309554	  -3.645138391163	  -2.251931601545
H 	   2.098520047091	  -2.508494824061	  -2.408377436894
H 	   1.971011464893	  -2.489048648790	  -4.884742589975
O 	   0.513615152421	  -4.180770258844	  -0.766998613686
S 	  -0.484321832070	  -5.027749950354	  -0.021110940262
O 	   0.012132285714	  -5.467630805512	   1.271825815437
O 	  -1.856086903822	  -4.526635209498	  -0.087768583411
C 	  -0.510453619460	  -6.562094114134	  -1.058635476016
F 	  -0.865329901449	  -6.279589263190	  -2.307625612976
F 	   0.689008359278	  -7.128412645273	  -1.081678976865
F 	  -1.379965378498	  -7.434907735672	  -0.563362419495
28
TS_CO-PdL2 (VL_PR3, r0 = 1.7, θ = 130), G = -5221.995984193199
Pd	  -1.072866718156	  -1.533768308978	  -1.217620692123
P 	  -3.019628556878	  -0.068801853932	  -1.160435854074
Cl	  -2.747866260421	   1.368762147470	  -2.136447232086
Cl	  -4.404052750679	  -0.891519652360	  -1.866983468670
Cl	  -3.545700865533	   0.496135354884	   0.419877824321
P 	   0.348161676635	  -0.819931435895	   0.531711034043
Cl	   2.043968128900	  -1.219433646875	   0.299787666429
Cl	  -0.124376144248	  -1.491998663489	   2.085637665348
Cl	   0.288385199469	   0.929311540240	   0.707811461644
C 	  -0.152619186623	  -2.979770588328	  -4.917943119410
Cl	  -0.195561363409	  -2.993282989798	  -6.666857845789
C 	  -1.302882725906	  -3.227848544114	  -4.200012408655
C 	  -1.253500416556	  -3.201149106620	  -2.785404036790
C 	  -0.025559747475	  -2.898270660965	  -2.159449521457
C 	   1.162694850700	  -2.736901163795	  -2.896556660435
C 	   1.081518584384	  -2.742167198356	  -4.274044978327
H 	  -2.233262524761	  -3.489439889574	  -4.707259161952
H 	  -2.087497103305	  -3.615913365871	  -2.210376448006
H 	   2.115803082018	  -2.558067514344	  -2.397812755127
H 	   1.973524502368	  -2.545348765269	  -4.871886590042
O 	   0.506887620805	  -4.187805895877	  -0.723974188718
S 	  -0.506669941444	  -5.044338205756	  -0.012378188574
O 	  -0.033014865434	  -5.521866797037	   1.275961134362
O 	  -1.873607072748	  -4.530219576330	  -0.084348596604
C 	  -0.532528455767	  -6.556665847792	  -1.082708843299
F 	  -0.864816123586	  -6.247186608928	  -2.331702644302
F 	   0.661567908125	  -7.134834468269	  -1.098721835653
F 	  -1.418189221562	  -7.430678373460	  -0.618746456829
28
TS_CO-PdL2 (VL_PR3, r0 = 1.7, θ = 140), G = -5221.993503739994
Pd	  -1.057503388614	  -1.523586934372	  -1.200184789959
P 	  -3.041423738944	  -0.088544414318	  -1.166296900950
Cl	  -2.790299053398	   1.354801264842	  -2.139238445779
Cl	  -4.401068748707	  -0.939862737516	  -1.886841166159
Cl	  -3.593521268750	   0.463225314148	   0.409808228717
P 	   0.383114860958	  -0.784489389496	   0.537970152994
Cl	   2.083225446890	  -1.143239958219	   0.273383865997
Cl	  -0.046596225414	  -1.460896250653	   2.102261420795
Cl	   0.285003410463	   0.963693838157	   0.708066289992
C 	  -0.145979568465	  -2.984146203896	  -4.904661728284
Cl	  -0.190341152543	  -3.007425125763	  -6.653320702844
C 	  -1.297572650676	  -3.219310282473	  -4.184373684666
C 	  -1.246417021339	  -3.186833086405	  -2.770029425622
C 	  -0.015833113731	  -2.890091780971	  -2.147326576926
C 	   1.173338182404	  -2.745602503304	  -2.885437467269
C 	   1.090704362564	  -2.755659104854	  -4.263048905286
H 	  -2.229418005090	  -3.479108752929	  -4.689682693328
H 	  -2.080198401122	  -3.598733479211	  -2.192689293507
H 	   2.129603982787	  -2.577027428449	  -2.389918811384
H 	   1.984251264895	  -2.571012455409	  -4.862432254834
O 	   0.498670161029	  -4.196186821709	  -0.709463624071
S 	  -0.524453507695	  -5.056657608283	  -0.018014425734
O 	  -0.065179163488	  -5.555632653233	   1.267452367315
O 	  -1.888264407981	  -4.534220201373	  -0.092947425620
C 	  -0.550507079994	  -6.555666877366	  -1.107150516310
F 	  -0.870664089703	  -6.229913603091	  -2.355302301068
F 	   0.640420381002	  -7.140602198996	  -1.120462444041
F 	  -1.444779958427	  -7.430270644269	  -0.661003482948
28
TS_CO-PdL2 (VL_PR3, r0 = 1.7, θ = 150), G = -5221.989013180892
Pd	  -1.034576085846	  -1.518748553506	  -1.170761029462
P 	  -3.097180977221	  -0.163513450733	  -1.128286124739
Cl	  -3.147655185276	   0.908144094169	  -2.521724268358
Cl	  -4.503756936239	  -1.211901185909	  -1.247684925236
Cl	  -3.368904074321	   0.854212987603	   0.280460328421
P 	   0.431480600251	  -0.763039895977	   0.557788469781
Cl	   2.130152186745	  -1.120787599746	   0.282648822016
Cl	   0.019042333129	  -1.409585366506	   2.139213677017
Cl	   0.327558578306	   0.987890738944	   0.691774294974
C 	  -0.077694733151	  -2.945991827120	  -4.896800327514
Cl	  -0.094637237645	  -2.959093183449	  -6.645901867478
C 	  -1.242836558222	  -3.172293581727	  -4.195950436287
C 	  -1.213294070290	  -3.152668609707	  -2.781122929131
C 	   0.009261179605	  -2.874034217094	  -2.136536533204
C 	   1.211876056993	  -2.743012042224	  -2.854966579643
C 	   1.151279316536	  -2.739966153508	  -4.233894534050
H 	  -2.168166063120	  -3.421762787252	  -4.717874833231
H 	  -2.058838463507	  -3.563858633763	  -2.221104339606
H 	   2.163672413182	  -2.596358408977	  -2.345253897276
H 	   2.057351356486	  -2.565090654225	  -4.817255123773
O 	   0.464644547470	  -4.210904176869	  -0.712624385648
S 	  -0.584566984733	  -5.064247931448	  -0.050912908008
O 	  -0.156151658648	  -5.588496433585	   1.234897592017
O 	  -1.938396536605	  -4.518987913821	  -0.142106723994
C 	  -0.615851000431	  -6.548936214324	  -1.159451063906
F 	  -0.915341755144	  -6.203838535643	  -2.407524940920
F 	   0.567252368822	  -7.149453208342	  -1.164403756844
F 	  -1.527411108222	  -7.416677334661	  -0.735526396788
28
TS_CO-PdL2 (VL_PR3, r0 = 1.7, θ = 160), G = -5221.982923777623
Pd	  -1.016912090438	  -1.495576033562	  -1.145954952819
P 	  -3.134006683171	  -0.171189428904	  -1.147847944746
Cl	  -3.175381546548	   0.914443087203	  -2.530601423266
Cl	  -4.521644514548	  -1.240653625399	  -1.295295473771
Cl	  -3.441975378357	   0.830373562463	   0.265325213869
P 	   0.482706178053	  -0.706845771439	   0.571367298771
Cl	   2.182933318473	  -1.004058668235	   0.239760928495
Cl	   0.138706793276	  -1.376983769403	   2.159173528013
Cl	   0.322969605033	   1.038838753282	   0.718959977738
C 	  -0.072298610157	  -2.969488599492	  -4.870350638774
Cl	  -0.088935250255	  -3.010473023828	  -6.618835140171
C 	  -1.239692156610	  -3.172949370909	  -4.166051660828
C 	  -1.209773896467	  -3.134648087243	  -2.751866246600
C 	   0.015274590643	  -2.860976702060	  -2.112196292590
C 	   1.219438531082	  -2.758133615165	  -2.831189525119
C 	   1.158762835115	  -2.771064745281	  -4.210384251642
H 	  -2.165424184354	  -3.426153180852	  -4.684826371767
H 	  -2.054245631433	  -3.539979995540	  -2.186054590049
H 	   2.174533575205	  -2.624080950078	  -2.325710262028
H 	   2.067358313940	  -2.617931435208	  -4.795833229035
O 	   0.440463037301	  -4.211581930037	  -0.679852013119
S 	  -0.615597452516	  -5.088011391945	  -0.062319175992
O 	  -0.209076064782	  -5.648296200575	   1.215362796072
O 	  -1.970717032997	  -4.546924306293	  -0.161369048465
C 	  -0.622404320879	  -6.544141547040	  -1.209244121890
F 	  -0.908207163175	  -6.171462572748	  -2.452743442240
F 	   0.564745363350	  -7.137024633261	  -1.213898189796
F 	  -1.533288655862	  -7.428025897875	  -0.818410489028
28
TS_CO-PdL2 (VL_PR3, r0 = 1.7, θ = 170), G = -5221.973159735864
Pd	  -0.998218661100	  -1.409820700220	  -1.109381524572
P 	  -3.179881897198	  -0.074149207223	  -1.189794404577
Cl	  -3.130328743565	   1.142461819852	  -2.458473841223
Cl	  -4.552592440301	  -1.118481299567	  -1.528950086659
Cl	  -3.580552228694	   0.787223884926	   0.291255578339
P 	   0.559605191601	  -0.586190259005	   0.574959425567
Cl	   2.249802579193	  -0.904931493054	   0.213923751883
Cl	   0.242052360776	  -1.213298699285	   2.185696212965
Cl	   0.413308971734	   1.163653494063	   0.682468597086
C 	  -0.126688451411	  -3.089414701336	  -4.781097050465
Cl	  -0.149209495483	  -3.221633186183	  -6.524779283876
C 	  -1.301072776298	  -3.195899834184	  -4.067248401666
C 	  -1.265446528533	  -3.091556516699	  -2.656688008245
C 	  -0.027449691980	  -2.846878114202	  -2.034221784578
C 	   1.178743593831	  -2.847581216023	  -2.754898005542
C 	   1.114445134323	  -2.926273821253	  -4.131956672869
H 	  -2.236873234176	  -3.435968385292	  -4.572932249640
H 	  -2.117862543783	  -3.450898187176	  -2.071732206678
H 	   2.140793023973	  -2.746833162310	  -2.257198010025
H 	   2.028906920644	  -2.856806746472	  -4.724040541789
O 	   0.325294431861	  -4.154037992636	  -0.525946956389
S 	  -0.686639660811	  -5.180393261701	  -0.094687559967
O 	  -0.327419190923	  -5.837447977275	   1.150705286836
O 	  -2.075073990797	  -4.750970105579	  -0.251888289100
C 	  -0.467384926914	  -6.503664720225	  -1.376678927754
F 	  -0.673427257544	  -6.030970782295	  -2.601418332181
F 	   0.761887797028	  -7.002029282504	  -1.325384352652
F 	  -1.330406776636	  -7.490209626495	  -1.160497103001
28
TS_CO-PdL2 (VL_PR3, r0 = 1.7, θ = 180), G = -5221.952668760011
Pd	  -0.989602150293	  -1.413076094654	  -1.079243163183
P 	  -3.278605639337	  -0.119436973086	  -1.159704343045
Cl	  -3.298862207320	   1.048732866990	  -2.473779202119
Cl	  -4.653505898350	  -1.189836418092	  -1.389705134246
Cl	  -3.620968893160	   0.794303658647	   0.304826364040
P 	   0.653258493881	  -0.518308383108	   0.567726212574
Cl	   2.334192022008	  -0.855555661606	   0.182008285765
Cl	   0.370239446009	  -1.081522668191	   2.208334654679
Cl	   0.497115277816	   1.233359847112	   0.603628178177
C 	  -0.083218570801	  -3.088066853419	  -4.765404710189
Cl	  -0.084463776155	  -3.233849725062	  -6.507689163997
C 	  -1.268710976116	  -3.165005878114	  -4.066535931315
C 	  -1.248925017990	  -3.058699156065	  -2.655709868670
C 	  -0.017054008676	  -2.835949337434	  -2.020495012056
C 	   1.198568730895	  -2.873660367817	  -2.721366386746
C 	   1.151876051426	  -2.956276729970	  -4.099279347856
H 	  -2.200002171648	  -3.396628597778	  -4.583209832376
H 	  -2.105853493318	  -3.433574383582	  -2.085650536132
H 	   2.155513533014	  -2.807690945824	  -2.211066081372
H 	   2.076137420938	  -2.919651449010	  -4.678806942118
O 	   0.275990558255	  -4.161696149689	  -0.503929206121
S 	  -0.746581291328	  -5.197284012964	  -0.124140110913
O 	  -0.430316783358	  -5.873799312825	   1.122262593405
O 	  -2.129901335579	  -4.767716801824	  -0.323030808839
C 	  -0.488757339773	  -6.501279994151	  -1.418359693865
F 	  -0.649520614250	  -6.007006723541	  -2.641509372140
F 	   0.734866880795	  -7.008530673056	  -1.332775861223
F 	  -1.364596738677	  -7.485293161318	  -1.248280320876
28
TS_CO-PdL2 (VL_PR3, r0 = 1.7, θ = 190), G = -5221.946580131686
Pd	  -0.797726026249	  -1.354032149135	  -0.984314604119
P 	  -3.476757587422	  -0.192987462402	  -1.263665071297
Cl	  -3.516571733559	   1.041561660504	  -2.516084155514
Cl	  -4.840905598466	  -1.266014361481	  -1.542597463522
Cl	  -3.827150280629	   0.655444368295	   0.238763179080
P 	   0.875324785391	  -0.523100787608	   0.608365027976
Cl	   2.552317086689	  -0.679349217211	   0.107193193529
Cl	   0.741878606300	  -1.190305849668	   2.228751179654
Cl	   0.569304573237	   1.202785890059	   0.763202029801
C 	  -0.051694049834	  -3.114314265420	  -4.741366171988
Cl	  -0.035122649593	  -3.270340620105	  -6.482892884406
C 	  -1.252777512268	  -3.136120150237	  -4.058866783070
C 	  -1.256411988784	  -3.025006184052	  -2.654734204876
C 	  -0.032771482698	  -2.849680663625	  -1.995639355475
C 	   1.191377191648	  -2.926955904870	  -2.677319833701
C 	   1.172165711676	  -3.022736199827	  -4.056707470904
H 	  -2.185330981302	  -3.313767336009	  -4.592892777366
H 	  -2.158486731220	  -3.268138021410	  -2.089360610517
H 	   2.136115337833	  -2.902092054596	  -2.142288205139
H 	   2.108747589252	  -3.034683502483	  -4.616625394583
O 	   0.201794040943	  -4.108668399783	  -0.484780828422
S 	  -0.814920877026	  -5.170522632459	  -0.142061213172
O 	  -0.501103741572	  -5.853702427805	   1.100527706169
O 	  -2.197201443514	  -4.756471757820	  -0.360366613111
C 	  -0.509390727376	  -6.456998722822	  -1.444773619571
F 	  -0.682857930988	  -5.964935265867	  -2.665770394624
F 	   0.729877502510	  -6.923391422046	  -1.356261171220
F 	  -1.353409574075	  -7.468476639534	  -1.278318230383
28
TS_CO-PdL2 (VL_PR3, r0 = 1.8, θ = 120), G = -5222.198213512183
Pd	  -1.080438492023	  -1.542807793487	  -1.265834054270
P 	  -3.031581803968	  -0.121885350172	  -1.073440792638
Cl	  -2.789324713238	   1.532785930958	  -1.829930394071
Cl	  -4.472260771030	  -0.836682999835	  -1.957784212088
Cl	  -3.647842447916	   0.212245043586	   0.622764541844
P 	   0.363856465362	  -0.854138226335	   0.453340566659
Cl	   2.148707579289	  -1.188854935769	   0.192931416401
Cl	  -0.036214541409	  -1.605073186687	   2.078545452513
Cl	   0.280113439728	   0.957897409454	   0.735683056678
C 	  -0.101501329222	  -3.044962170403	  -4.973692393082
Cl	  -0.117439681102	  -3.110680969072	  -6.719984114578
C 	  -1.263699668033	  -3.279630513232	  -4.267703523543
C 	  -1.233168640026	  -3.220367454019	  -2.855446130683
C 	  -0.021238682439	  -2.882911346869	  -2.229673005295
C 	   1.178851149466	  -2.729604275781	  -2.939696315505
C 	   1.119913838528	  -2.780322614859	  -4.318974585780
H 	  -2.185309897253	  -3.559001452916	  -4.781101854086
H 	  -2.076730361817	  -3.613421618450	  -2.277670089070
H 	   2.118607971762	  -2.519705389878	  -2.428587030286
H 	   2.020491135603	  -2.595541902929	  -4.907486116793
O 	   0.490193992408	  -4.133956789264	  -0.700469513252
S 	  -0.546892222211	  -4.961415069392	   0.009638839274
O 	  -0.111406847749	  -5.415340334641	   1.319420475499
O 	  -1.905235622691	  -4.428646931128	  -0.106820806962
C 	  -0.572340740283	  -6.497734041494	  -1.025985366285
F 	  -0.877916003586	  -6.213663456930	  -2.287953139573
F 	   0.614870326009	  -7.089508032084	  -1.006422535828
F 	  -1.476751923219	  -7.350071607772	  -0.558553115999
28
TS_CO-PdL2 (VL_PR3, r0 = 1.8, θ = 130), G = -5222.196701835196
Pd	  -1.068836751488	  -1.539883474453	  -1.240082078608
P 	  -3.042869166565	  -0.129472272615	  -1.092692765195
Cl	  -2.806166057248	   1.509042398165	  -1.885131784998
Cl	  -4.462300902886	  -0.880448979408	  -1.981415712822
Cl	  -3.686345930542	   0.236634465581	   0.586658808894
P 	   0.388525957639	  -0.832320092280	   0.469102789379
Cl	   2.170827935308	  -1.182359325241	   0.211756374345
Cl	  -0.014105349070	  -1.539009092297	   2.113320331308
Cl	   0.315239367020	   0.986893207533	   0.704851561336
C 	  -0.109874540489	  -3.032688054923	  -4.957810208528
Cl	  -0.134094551257	  -3.092250887916	  -6.704096414027
C 	  -1.270093863451	  -3.264742049976	  -4.247389704851
C 	  -1.232835779659	  -3.209983237903	  -2.835225495865
C 	  -0.017187008322	  -2.877892012546	  -2.214713496017
C 	   1.180897351047	  -2.731016474387	  -2.928150829907
C 	   1.115518492027	  -2.776846798918	  -4.307687459303
H 	  -2.194523964732	  -3.540449623667	  -4.757633113676
H 	  -2.073957341265	  -3.603829667953	  -2.254410896901
H 	   2.124434624782	  -2.528771591097	  -2.421440359369
H 	   2.014455641664	  -2.594761904359	  -4.899529877941
O 	   0.488699632861	  -4.151589273169	  -0.685973431491
S 	  -0.551540152963	  -4.987758613503	   0.006779265550
O 	  -0.124659038123	  -5.460628403007	   1.312922279113
O 	  -1.909924913397	  -4.454201457713	  -0.108378722565
C 	  -0.572883185318	  -6.510864499436	  -1.048420833126
F 	  -0.871935307992	  -6.210876702640	  -2.308479476727
F 	   0.613876304950	  -7.103960916602	  -1.030831914431
F 	  -1.480029993622	  -7.368964744693	  -0.596781574354
28
TS_CO-PdL2 (VL_PR3, r0 = 1.8, θ = 140), G = -5222.193488993536
Pd	  -1.058225832558	  -1.533276473219	  -1.208258974592
P 	  -3.056745864512	  -0.131565984899	  -1.118492917908
Cl	  -2.814142030403	   1.482083905077	  -1.958664929748
Cl	  -4.452866469742	  -0.922016525085	  -2.009794395929
Cl	  -3.737125965265	   0.284247252689	   0.534551403375
P 	   0.417549343286	  -0.805794828692	   0.491693528535
Cl	   2.198335278737	  -1.157374403298	   0.226365379642
Cl	   0.025911743056	  -1.479451145780	   2.152260559716
Cl	   0.343059951661	   1.017915168663	   0.689942560339
C 	  -0.120278955204	  -3.024585230741	  -4.936217354143
Cl	  -0.152500489716	  -3.084214855098	  -6.682241796126
C 	  -1.278256498871	  -3.252614761347	  -4.220533523376
C 	  -1.234370506858	  -3.198301137551	  -2.808673435908
C 	  -0.015230855263	  -2.869917584606	  -2.194327037227
C 	   1.180601785129	  -2.730953356547	  -2.911874115665
C 	   1.108850661475	  -2.775177148691	  -4.291497904424
H 	  -2.204822425927	  -3.528096298238	  -4.726855544105
H 	  -2.071793193002	  -3.594001645797	  -2.223785094627
H 	   2.128182466426	  -2.536445281410	  -2.410476555822
H 	   2.006182375749	  -2.597588004661	  -4.887108799852
O 	   0.484873202264	  -4.169954869431	  -0.669149270235
S 	  -0.557106504911	  -5.019977292706	   0.001266039571
O 	  -0.138809400749	  -5.517767772297	   1.301112126826
O 	  -1.916430526715	  -4.487767075963	  -0.110898124367
C 	  -0.570789266916	  -6.525249924701	  -1.079577695047
F 	  -0.863004410913	  -6.205350853606	  -2.336578066343
F 	   0.616585639294	  -7.117635746946	  -1.065435503881
F 	  -1.479321740624	  -7.392168204528	  -0.647635299449
28
TS_CO-PdL2 (VL_PR3, r0 = 1.8, θ = 150), G = -5222.189193505391
Pd	  -1.037539506538	  -1.523412923437	  -1.172345424436
P 	  -3.085377149726	  -0.163391011519	  -1.123710181108
Cl	  -3.011204866900	   1.193436004471	  -2.357319107087
Cl	  -4.551268105554	  -1.161883761927	  -1.594617493284
Cl	  -3.564235036397	   0.653995559503	   0.448496306883
P 	   0.447578493617	  -0.784555254886	   0.533144397551
Cl	   2.232179489085	  -1.089257764888	   0.236997746567
Cl	   0.097361944807	  -1.476884859678	   2.195200444046
Cl	   0.329004726129	   1.035771737872	   0.740971817451
C 	  -0.086999440699	  -2.997289928754	  -4.916115116502
Cl	  -0.107830293849	  -3.054343607269	  -6.662295452652
C 	  -1.251290681093	  -3.217213980434	  -4.208333243516
C 	  -1.216194156254	  -3.168193108276	  -2.796120474333
C 	   0.001731670287	  -2.854249360154	  -2.172679908222
C 	   1.203438497919	  -2.726510023705	  -2.882047623151
C 	   1.139936544265	  -2.762704798481	  -4.262506797152
H 	  -2.175034673372	  -3.488638836077	  -4.721664476991
H 	  -2.056066193526	  -3.567918360744	  -2.217721009835
H 	   2.151403819076	  -2.548177394027	  -2.376447854411
H 	   2.043134497944	  -2.592712060129	  -4.851464673497
O 	   0.462921436830	  -4.193426723213	  -0.664287526496
S 	  -0.597053863590	  -5.046857845772	  -0.028149017552
O 	  -0.208253215877	  -5.571081737968	   1.270389732135
O 	  -1.950427533452	  -4.503022906483	  -0.155951627833
C 	  -0.603314292903	  -6.534455549788	  -1.133238173756
F 	  -0.877869024195	  -6.193306238156	  -2.388748167373
F 	   0.580946733484	  -7.132976993415	  -1.113442059485
F 	  -1.521368310611	  -7.403738352092	  -0.726879776770
28
TS_CO-PdL2 (VL_PR3, r0 = 1.8, θ = 160), G = -5222.182857942738
Pd	  -1.013249268916	  -1.515472451175	  -1.147522975804
P 	  -3.150456128764	  -0.229461809813	  -1.102462582119
Cl	  -3.107909107022	   1.190333821875	  -2.264755071235
Cl	  -4.567276802505	  -1.260932107165	  -1.645793767787
Cl	  -3.687626889850	   0.492028047384	   0.497934145865
P 	   0.531714002023	  -0.729594138899	   0.521006888178
Cl	   2.308124122616	  -1.072970925434	   0.218341829985
Cl	   0.192604478528	  -1.339085492501	   2.217521312802
Cl	   0.438402432156	   1.100052835368	   0.642492970768
C 	  -0.056979703252	  -2.999423626628	  -4.907618619899
Cl	  -0.067466800192	  -3.067698703683	  -6.653300789079
C 	  -1.227892906848	  -3.202663561771	  -4.205366964715
C 	  -1.201345557233	  -3.148732114506	  -2.793666961102
C 	   0.014844011974	  -2.843338937745	  -2.164946180179
C 	   1.222517840264	  -2.737802354688	  -2.866397265586
C 	   1.168044292117	  -2.778472230063	  -4.247426953539
H 	  -2.149407913223	  -3.471262456644	  -4.723573013372
H 	  -2.046383251644	  -3.542644340403	  -2.219476490806
H 	   2.170423591732	  -2.575228819046	  -2.357162914425
H 	   2.077897931176	  -2.625578473724	  -4.830748480732
O 	   0.429149323708	  -4.189233873143	  -0.650773469144
S 	  -0.645150435498	  -5.042985492782	  -0.038771463182
O 	  -0.279822060855	  -5.579959194332	   1.261197668192
O 	  -1.993877255983	  -4.491552897244	  -0.182984273691
C 	  -0.642178947144	  -6.522644721738	  -1.154965383485
F 	  -0.901464094410	  -6.172300138822	  -2.411112123219
F 	   0.540155567158	  -7.124391095493	  -1.125660682222
F 	  -1.567078961127	  -7.391984826473	  -0.764893131243
28
TS_CO-PdL2 (VL_PR3, r0 = 1.8, θ = 170), G = -5222.173644953891
Pd	  -0.995076017759	  -1.426348711730	  -1.101562590732
P 	  -3.207995970098	  -0.145955894935	  -1.120232370736
Cl	  -3.193409151309	   1.225394002031	  -2.339810858281
Cl	  -4.638024921433	  -1.200961884456	  -1.576086747473
Cl	  -3.696913989208	   0.647570497680	   0.461702162097
P 	   0.593015027845	  -0.609730971539	   0.539704042344
Cl	   2.323474977271	  -1.197170187619	   0.382772061070
Cl	   0.117075780599	  -0.940090040851	   2.280488167673
Cl	   0.708995236327	   1.218338243525	   0.416455490803
C 	  -0.105041386124	  -3.094307824870	  -4.812206646929
Cl	  -0.116576453693	  -3.240572106009	  -6.553009513644
C 	  -1.285492364818	  -3.204577241798	  -4.105608865662
C 	  -1.257379244980	  -3.094430095906	  -2.696991680012
C 	  -0.028015128238	  -2.824658470235	  -2.081130912756
C 	   1.184802092426	  -2.818682328248	  -2.779846330797
C 	   1.129638035828	  -2.914643622384	  -4.158181825007
H 	  -2.215970778843	  -3.456218487296	  -4.615257680575
H 	  -2.110049908024	  -3.450132048955	  -2.108512956596
H 	   2.139474203127	  -2.692939128876	  -2.274580862246
H 	   2.047238226914	  -2.841040614966	  -4.744685810461
O 	   0.303258739039	  -4.136144279672	  -0.502726139876
S 	  -0.717217580125	  -5.159165835930	  -0.092052521186
O 	  -0.396489540745	  -5.810696056489	   1.166945185709
O 	  -2.102048303678	  -4.730908567253	  -0.290977436826
C 	  -0.468811777987	  -6.489516156733	  -1.361164115277
F 	  -0.633612926252	  -6.019167870785	  -2.593601568854
F 	   0.754614862888	  -6.997021682661	  -1.271290991706
F 	  -1.345150230043	  -7.469222712429	  -1.169433424832
28
TS_CO-PdL2 (VL_PR3, r0 = 1.8, θ = 180), G = -5222.158959274168
Pd	  -0.940256452849	  -1.387062729494	  -1.070323500739
P 	  -3.257526504561	  -0.148752284433	  -1.194784843882
Cl	  -3.261922262397	   1.188354439356	  -2.451850431938
Cl	  -4.686893165054	  -1.227361399836	  -1.592093123908
Cl	  -3.727828207289	   0.695784407862	   0.366800029157
P 	   0.664275599681	  -0.589857052318	   0.594664769754
Cl	   2.429504351933	  -0.984477403153	   0.290345271437
Cl	   0.319046165679	  -1.113948875200	   2.318180261470
Cl	   0.607747217557	   1.244992177495	   0.637788047865
C 	  -0.110746118350	  -3.125366745860	  -4.790416758588
Cl	  -0.132078698833	  -3.311250954743	  -6.526907623843
C 	  -1.289708702638	  -3.204210298829	  -4.076294601795
C 	  -1.254629554362	  -3.067663350247	  -2.671654018793
C 	  -0.020769270371	  -2.807479140363	  -2.065328287576
C 	   1.188471776299	  -2.833772026384	  -2.767588957979
C 	   1.127572906346	  -2.952394979196	  -4.144682004828
H 	  -2.223260512908	  -3.459593414416	  -4.577027619426
H 	  -2.107841810905	  -3.401285143601	  -2.071800777897
H 	   2.147064917210	  -2.724983241281	  -2.268338111194
H 	   2.044233069901	  -2.908385763063	  -4.735412213651
O 	   0.288107293437	  -4.131466944232	  -0.486102232953
S 	  -0.735509124021	  -5.162681914982	  -0.105377975975
O 	  -0.425854388587	  -5.842911365499	   1.141011296238
O 	  -2.117853830375	  -4.727154839148	  -0.304247130758
C 	  -0.480529758979	  -6.471655330865	  -1.396038263251
F 	  -0.648610036313	  -5.985865368694	  -2.621932923737
F 	   0.745595771794	  -6.974027779288	  -1.314336702409
F 	  -1.351489162138	  -7.458522758972	  -1.217136311568
28
TS_CO-PdL2 (VL_PR3, r0 = 1.8, θ = 190), G = -5222.150148680582
Pd	  -0.647421721662	  -1.367419528392	  -0.951839763156
P 	  -3.648991742516	  -0.298883503830	  -1.296849949198
Cl	  -3.788096163773	   0.999858829127	  -2.587916613008
Cl	  -5.123555752277	  -1.367271293790	  -1.528529140807
Cl	  -3.978160361279	   0.600927227807	   0.271121434856
P 	   1.002723479738	  -0.564339896912	   0.615812673872
Cl	   2.753425579471	  -0.558676550401	   0.068926521813
Cl	   0.992056583516	  -1.301447173383	   2.295313676188
Cl	   0.597617530150	   1.206401086085	   0.886929996034
C 	   0.013337495458	  -3.114642710341	  -4.766706962476
Cl	   0.039477225750	  -3.264317304583	  -6.507229733280
C 	  -1.197162736228	  -3.089486713503	  -4.097362896573
C 	  -1.210722593615	  -2.986683151883	  -2.694296521124
C 	   0.011483200211	  -2.852853377125	  -2.032636264220
C 	   1.241336819710	  -2.968600900056	  -2.690474232546
C 	   1.232619191545	  -3.069452763121	  -4.071041296906
H 	  -2.132149466275	  -3.216230503869	  -4.642152468915
H 	  -2.132703814843	  -3.163572968694	  -2.136123800334
H 	   2.178124568050	  -2.970308577284	  -2.139843209567
H 	   2.174317739988	  -3.118788709457	  -4.620058331570
O 	   0.199818706847	  -4.104341593195	  -0.469547478802
S 	  -0.860939942019	  -5.122289700881	  -0.130914487547
O 	  -0.596883030811	  -5.802227441643	   1.125130869253
O 	  -2.221506043565	  -4.655754830693	  -0.380264297812
C 	  -0.578709291666	  -6.430812274367	  -1.416237157597
F 	  -0.701252181227	  -5.939092569153	  -2.643893749805
F 	   0.637750398470	  -6.947025057922	  -1.294022204851
F 	  -1.467522168248	  -7.405668127915	  -1.266179352700
28
TS_CO-PdL2 (VL_PR3, r0 = 1.9, θ = 120), G = -5222.308301516348
Pd	  -1.083134684239	  -1.590565154168	  -1.262664219582
P 	  -3.050971987650	  -0.226790267712	  -0.986108347025
Cl	  -2.949482730759	   1.468270619478	  -1.876987795772
Cl	  -4.602214629951	  -1.051495705298	  -1.754535535298
Cl	  -3.621839055952	   0.222880427406	   0.788424635789
P 	   0.394282963267	  -0.888424227207	   0.414000521548
Cl	   2.266497310670	  -1.230990366280	   0.184588616349
Cl	   0.010442342641	  -1.594664638980	   2.154281487621
Cl	   0.339250585618	   1.011257637280	   0.674163581683
C 	  -0.034430747143	  -3.040799928185	  -5.023592550232
Cl	  -0.020106793286	  -3.116321595581	  -6.767305157302
C 	  -1.208884083824	  -3.282391365501	  -4.337640042099
C 	  -1.200857013037	  -3.226542214531	  -2.926395552519
C 	  -0.005355765084	  -2.869340189767	  -2.292105644715
C 	   1.207097760830	  -2.706669271062	  -2.968522934255
C 	   1.172716373134	  -2.765336526349	  -4.349973650061
H 	  -2.118772678770	  -3.571971701179	  -4.865720785926
H 	  -2.051511946596	  -3.622693341147	  -2.360563047562
H 	   2.134242298594	  -2.485856817463	  -2.440211289635
H 	   2.083135028606	  -2.578259321629	  -4.922272602246
O 	   0.493736632498	  -4.132976678605	  -0.698389539123
S 	  -0.587419559826	  -4.901139672435	   0.007386409565
O 	  -0.214972789292	  -5.329611668213	   1.344384334454
O 	  -1.920474392046	  -4.317056889882	  -0.170571910234
C 	  -0.648253904854	  -6.466520354851	  -0.981150810830
F 	  -0.912735499762	  -6.209338641614	  -2.258313077535
F 	   0.514277164741	  -7.101368897165	  -0.914137641510
F 	  -1.595948689594	  -7.268283328760	  -0.510952194332
28
TS_CO-PdL2 (VL_PR3, r0 = 1.9, θ = 130), G = -5222.304831952133
Pd	  -1.084699280705	  -1.595504209479	  -1.241376290309
P 	  -3.058222977981	  -0.222580089730	  -1.000819622191
Cl	  -2.947183371627	   1.441363063642	  -1.947492067003
Cl	  -4.603349388608	  -1.071083816890	  -1.755158647455
Cl	  -3.641208823035	   0.285246294251	   0.753948085327
P 	   0.404351904851	  -0.876775332796	   0.433627602982
Cl	   2.275023537869	  -1.227605286863	   0.204669043826
Cl	   0.019935108333	  -1.548236250534	   2.187391279424
Cl	   0.353654171044	   1.027698871449	   0.657405533884
C 	  -0.039948357404	  -3.033391817646	  -5.009814691605
Cl	  -0.027573035028	  -3.105091840442	  -6.753617949537
C 	  -1.213217816918	  -3.278907597751	  -4.322832323075
C 	  -1.204091853216	  -3.225874241135	  -2.911442837313
C 	  -0.008297220444	  -2.867210288282	  -2.278874100901
C 	   1.203142017032	  -2.702403634277	  -2.955603330316
C 	   1.167445850945	  -2.757695994803	  -4.337333587529
H 	  -2.122354542609	  -3.570771824760	  -4.850908507168
H 	  -2.052508511311	  -3.626133731627	  -2.345325750310
H 	   2.130993612426	  -2.482919249384	  -2.428426624206
H 	   2.077061423776	  -2.568005940186	  -4.910075647541
O 	   0.499447391982	  -4.149597389060	  -0.686411497512
S 	  -0.585049975954	  -4.924774718798	   0.003817067975
O 	  -0.222912864031	  -5.373020069059	   1.337359478020
O 	  -1.915904092032	  -4.334940712842	  -0.172577754163
C 	  -0.642597163801	  -6.478210120685	  -1.004050535251
F 	  -0.897115756051	  -6.206286934774	  -2.280281221483
F 	   0.518441764615	  -7.116001481899	  -0.936079748951
F 	  -1.594950243202	  -7.284285735051	  -0.550600098412
28
TS_CO-PdL2 (VL_PR3, r0 = 1.9, θ = 140), G = -5222.306420246386
Pd	  -1.033295549686	  -1.571906310587	  -1.204257725549
P 	  -3.113453428389	  -0.316424008722	  -0.974897959372
Cl	  -3.271057118287	   1.106051310752	  -2.251439786309
Cl	  -4.646988815470	  -1.413722056731	  -1.322406232440
Cl	  -3.538248364082	   0.526715082515	   0.694426763478
P 	   0.479629071219	  -0.831662963393	   0.446330078897
Cl	   2.336016411499	  -1.272331002529	   0.259886316691
Cl	   0.053319957746	  -1.382376545109	   2.232348038576
Cl	   0.504861233255	   1.083213135062	   0.557700531214
C 	   0.011099807874	  -2.987453828884	  -4.995624108132
Cl	   0.033529378533	  -3.046017812801	  -6.739768951806
C 	  -1.174212393952	  -3.203765026407	  -4.319291352073
C 	  -1.172763330843	  -3.163202145885	  -2.908249267481
C 	   0.025881488907	  -2.841179895919	  -2.263657902063
C 	   1.247591662096	  -2.712853924783	  -2.928129581442
C 	   1.220549668138	  -2.755643867604	  -4.311319524989
H 	  -2.086847537467	  -3.467673141554	  -4.855896844915
H 	  -2.034811413875	  -3.546563712045	  -2.351055959605
H 	   2.178499676007	  -2.527222911058	  -2.394149041259
H 	   2.140034264983	  -2.589515743349	  -4.875607299506
O 	   0.437868479578	  -4.160357530543	  -0.672908300850
S 	  -0.661325837794	  -4.946563591009	  -0.018500430849
O 	  -0.320613718889	  -5.420390968172	   1.312149035011
O 	  -1.991596284327	  -4.358339217275	  -0.203070449244
C 	  -0.700606790419	  -6.479291474012	  -1.058187665230
F 	  -0.945921510257	  -6.181472877732	  -2.330603946313
F 	   0.463288095169	  -7.112599313767	  -0.994234011336
F 	  -1.652115592362	  -7.300449737858	  -0.630469163901
28
TS_CO-PdL2 (VL_PR3, r0 = 1.9, θ = 150), G = -5222.302238122366
Pd	  -1.022052092900	  -1.573202082075	  -1.163358045068
P 	  -3.135744332234	  -0.312714464413	  -1.021075208249
Cl	  -3.226890328213	   1.082514163874	  -2.333584286580
Cl	  -4.660603385220	  -1.410171983238	  -1.403791078271
Cl	  -3.626531792447	   0.572974116418	   0.607798259552
P 	   0.517947862649	  -0.808935250323	   0.476040713715
Cl	   2.384252834213	  -1.152235364464	   0.203814596820
Cl	   0.188099054749	  -1.423688622655	   2.261477197600
Cl	   0.456497650531	   1.101619035507	   0.637621044072
C 	  -0.000998632283	  -2.982317497787	  -4.970409544576
Cl	   0.010505717063	  -3.039190953784	  -6.714580682315
C 	  -1.180951575703	  -3.204950673776	  -4.286190002714
C 	  -1.170517366059	  -3.164493083490	  -2.875715795675
C 	   0.029450929589	  -2.835624145384	  -2.238592882306
C 	   1.246639595238	  -2.706292664086	  -2.909938775828
C 	   1.211127418475	  -2.747376018237	  -4.293534654960
H 	  -2.094284606460	  -3.476581377436	  -4.817393177102
H 	  -2.025141922922	  -3.553738983696	  -2.311264222485
H 	   2.181944791673	  -2.521407306218	  -2.384622025788
H 	   2.126811368994	  -2.578546573875	  -4.863133714780
O 	   0.439794674082	  -4.185863199851	  -0.655928583169
S 	  -0.662893955282	  -4.978207054626	  -0.017474874230
O 	  -0.327828363607	  -5.482080980076	   1.303747336375
O 	  -1.990363344142	  -4.379358913973	  -0.189783231710
C 	  -0.710357783315	  -6.492229151368	  -1.084766575873
F 	  -0.955022923517	  -6.171960812513	  -2.352076876548
F 	   0.450697410491	  -7.132039622757	  -1.032924330184
F 	  -1.665275394566	  -7.316900615111	  -0.671245320519
28
TS_CO-PdL2 (VL_PR3, r0 = 1.9, θ = 160), G = -5222.295680950627
Pd	  -1.004280485414	  -1.575520791375	  -1.143618214172
P 	  -3.201337969043	  -0.391372708740	  -0.988178859581
Cl	  -3.290125358951	   1.136347456898	  -2.144133787873
Cl	  -4.683737641639	  -1.475266764511	  -1.538605888591
Cl	  -3.761062783629	   0.302686642047	   0.710060966983
P 	   0.586757755940	  -0.755828472028	   0.460412317369
Cl	   2.420541107048	  -1.295330239613	   0.315953556967
Cl	   0.143051737660	  -1.109459914232	   2.291668195000
Cl	   0.691739767599	   1.157990596320	   0.381064552489
C 	   0.024540957457	  -2.975754423541	  -4.969797128220
Cl	   0.044658182201	  -3.032411828416	  -6.713884845245
C 	  -1.159033392098	  -3.197781120586	  -4.291063207586
C 	  -1.156612145882	  -3.159272605429	  -2.881042022483
C 	   0.038757761740	  -2.829242174829	  -2.237587810766
C 	   1.259864828029	  -2.706590886834	  -2.902342987215
C 	   1.233092778494	  -2.745754767966	  -4.286394980351
H 	  -2.068427801786	  -3.470825819608	  -4.827860001176
H 	  -2.012788271119	  -3.549951435793	  -2.321116830498
H 	   2.193415289126	  -2.533345072579	  -2.371659802033
H 	   2.153263363477	  -2.582512312568	  -4.850309710758
O 	   0.420003497541	  -4.186507785235	  -0.663167446130
S 	  -0.690973469294	  -4.971284535166	  -0.029178518809
O 	  -0.365532898490	  -5.476584565441	   1.293748900658
O 	  -2.013358046146	  -4.363044484616	  -0.207449317747
C 	  -0.743066343035	  -6.485657020841	  -1.096298702379
F 	  -0.982167661950	  -6.164499840875	  -2.364296668095
F 	   0.414520132873	  -7.131117345338	  -1.040512746836
F 	  -1.703391381805	  -7.305107858517	  -0.685293753669
28
TS_CO-PdL2 (VL_PR3, r0 = 1.9, θ = 170), G = -5222.286571611768
Pd	  -0.965185712092	  -1.521594250760	  -1.109844219797
P 	  -3.247834823435	  -0.344658829006	  -1.027136111001
Cl	  -3.382480504081	   1.081640587440	  -2.302017739413
Cl	  -4.749636734348	  -1.470857647634	  -1.415106976164
Cl	  -3.728401781582	   0.496472399171	   0.628640140468
P 	   0.639922716487	  -0.690817107910	   0.499037143164
Cl	   2.493945519785	  -1.110574667404	   0.251267604468
Cl	   0.298001072238	  -1.154333916178	   2.327456995296
Cl	   0.621534333759	   1.227312735744	   0.500877533594
C 	   0.030089217171	  -3.016722529034	  -4.927907119192
Cl	   0.059160852999	  -3.114620499574	  -6.670049622833
C 	  -1.162558683554	  -3.194375013816	  -4.251269600186
C 	  -1.167876021245	  -3.125657784130	  -2.843009037956
C 	   0.031059284985	  -2.813549829162	  -2.199886404503
C 	   1.258358505350	  -2.737965934945	  -2.858823121082
C 	   1.239496068427	  -2.803763078222	  -4.242317795476
H 	  -2.073011366431	  -3.461871144013	  -4.788396275261
H 	  -2.032683948757	  -3.488708225057	  -2.277755424149
H 	   2.193546593150	  -2.584755840899	  -2.326675414071
H 	   2.167307440400	  -2.678778820197	  -4.803322027395
O 	   0.357192694127	  -4.177606590355	  -0.613962317882
S 	  -0.749415047080	  -5.026903228850	  -0.060593430462
O 	  -0.458612131689	  -5.573647738110	   1.254191234117
O 	  -2.086074739966	  -4.463939741426	  -0.270458697991
C 	  -0.706283828209	  -6.501484927859	  -1.182749749678
F 	  -0.916514270361	  -6.144148207749	  -2.446336189174
F 	   0.472568897176	  -7.106688471781	  -1.111751482586
F 	  -1.647302094349	  -7.370401777709	  -0.832986635606
28
TS_CO-PdL2 (VL_PR3, r0 = 1.9, θ = 180), G = -5222.276440899488
Pd	  -0.844495038743	  -1.502522084387	  -1.020291108987
P 	  -3.399676933649	  -0.497387777451	  -1.080085492820
Cl	  -3.594159115937	   0.900644362467	  -2.378969705623
Cl	  -4.910827002784	  -1.638443181804	  -1.378566660890
Cl	  -3.822735019663	   0.388657287930	   0.568813530777
P 	   0.832511098885	  -0.690928619630	   0.527751526798
Cl	   2.698057801224	  -0.937320171752	   0.162184148968
Cl	   0.631064784514	  -1.246607486486	   2.351541600013
Cl	   0.652686255348	   1.216749575767	   0.625879058206
C 	   0.100376584618	  -3.000499535360	  -4.926682992803
Cl	   0.171261723090	  -3.087132822760	  -6.668347088903
C 	  -1.114229657117	  -3.161766421432	  -4.281472899221
C 	  -1.161237023086	  -3.104816181341	  -2.877726857286
C 	   0.019900453768	  -2.819333362944	  -2.194643821708
C 	   1.264786975204	  -2.759588791470	  -2.821736747485
C 	   1.290661563729	  -2.815351571183	  -4.206608390939
H 	  -2.015123135065	  -3.399725460093	  -4.847166889879
H 	  -2.062025460098	  -3.409098450332	  -2.339378604962
H 	   2.186173567206	  -2.650129713766	  -2.257281118842
H 	   2.239135438547	  -2.717212810366	  -4.737129535485
O 	   0.308246240971	  -4.142897941105	  -0.637699131953
S 	  -0.815290776893	  -4.971425161695	  -0.073024610709
O 	  -0.520284782752	  -5.513474340786	   1.241665270063
O 	  -2.136352203608	  -4.376980442723	  -0.279989127817
C 	  -0.803236387123	  -6.454121158759	  -1.185857661310
F 	  -1.017538255628	  -6.103420035719	  -2.449504523629
F 	   0.366189374146	  -7.075843120115	  -1.116772690540
F 	  -1.755529560177	  -7.303024662125	  -0.819784213788
28
TS_CO-PdL2 (VL_PR3, r0 = 2.0, θ = 120), G = -5222.360087948088
Pd	  -1.039216998990	  -1.741191562946	  -1.229889694246
P 	  -3.080433677347	  -0.532372169473	  -0.863723297103
Cl	  -3.207287943145	   1.230774787471	  -1.809163501126
Cl	  -4.668733862456	  -1.521306996740	  -1.583013346913
Cl	  -3.670987997819	  -0.072827781023	   0.995936502443
P 	   0.501357589620	  -0.888550329251	   0.307996323367
Cl	   2.467151481444	  -1.235651195591	   0.123979331588
Cl	   0.165937059633	  -1.417377946043	   2.212105594832
Cl	   0.454852655464	   1.113468020723	   0.411949704708
C 	   0.097324806696	  -2.912564887712	  -5.108444722995
Cl	   0.141368678299	  -2.874955252906	  -6.850953193060
C 	  -1.083380185357	  -3.233870053769	  -4.462507415936
C 	  -1.104102879127	  -3.270416015105	  -3.054075412788
C 	   0.062498998733	  -2.901766061782	  -2.381918065203
C 	   1.284385165067	  -2.667093752829	  -3.009709766435
C 	   1.280165302146	  -2.643622106627	  -4.395045384783
H 	  -1.974690746761	  -3.514607915746	  -5.025530785736
H 	  -1.966748712547	  -3.693837303335	  -2.530045369582
H 	   2.192104597283	  -2.448001021750	  -2.448710974874
H 	   2.196570722776	  -2.395801179625	  -4.933828344394
O 	   0.501900623866	  -4.251954067135	  -0.808380054420
S 	  -0.624761342188	  -4.810225607331	   0.010910098361
O 	  -0.258612838323	  -5.147610012627	   1.374528297193
O 	  -1.884049732773	  -4.070970837199	  -0.187509665145
C 	  -0.938672528795	  -6.439116700222	  -0.810682240171
F 	  -1.213677042179	  -6.265978217230	  -2.099084567213
F 	   0.126937366439	  -7.219469308536	  -0.708154635352
F 	  -1.968887050758	  -7.046104605066	  -0.237920155838
28
TS_CO-PdL2 (VL_PR3, r0 = 2.0, θ = 130), G = -5222.357490272852
Pd	  -1.034383913487	  -1.769696735833	  -1.199225089910
P 	  -3.112372837998	  -0.586576214641	  -0.850721433077
Cl	  -3.194813025981	   1.240393860513	  -1.671879711857
Cl	  -4.649550576772	  -1.520020958769	  -1.736402844635
Cl	  -3.818684039070	  -0.266626880976	   0.997773179694
P 	   0.545015882029	  -0.873012516803	   0.302509884645
Cl	   2.478810050299	  -1.395046095563	   0.220094276661
Cl	   0.119620582651	  -1.170733004547	   2.238777794828
Cl	   0.660842105850	   1.126288093181	   0.200356099159
C 	   0.098371383209	  -2.869173530610	  -5.107110335731
Cl	   0.141023378548	  -2.799195886918	  -6.848801272869
C 	  -1.078425082731	  -3.215944282621	  -4.466490530406
C 	  -1.099043941703	  -3.278450562121	  -3.059599698458
C 	   0.062403267694	  -2.907075695100	  -2.379547288246
C 	   1.281876973085	  -2.650694442438	  -3.004019762008
C 	   1.278036739439	  -2.601665047343	  -4.388967659033
H 	  -1.966302106293	  -3.497040795760	  -5.034762721548
H 	  -1.956855361961	  -3.719502071388	  -2.543448622499
H 	   2.188158539352	  -2.436299543802	  -2.439445006860
H 	   2.192505334977	  -2.336649450546	  -4.922795774846
O 	   0.496874864758	  -4.284639416494	  -0.842453413634
S 	  -0.623003143847	  -4.817600964427	   0.002734711017
O 	  -0.243309610396	  -5.129725711199	   1.368487590305
O 	  -1.878706807589	  -4.070150969449	  -0.193735955226
C 	  -0.960764013561	  -6.456448694882	  -0.787847644999
F 	  -1.250543557308	  -6.298398303326	  -2.074598160370
F 	   0.099827175143	  -7.243364249394	  -0.686842100029
F 	  -1.988296749423	  -7.045950008148	  -0.192923250847
28
TS_CO-PdL2 (VL_PR3, r0 = 2.0, θ = 140), G = -5222.354921126393
Pd	  -1.013564487609	  -1.775879668555	  -1.178096303788
P 	  -3.138190894734	  -0.629507207570	  -0.859794892537
Cl	  -3.259529890771	   1.187425130017	  -1.698377312943
Cl	  -4.654617973308	  -1.602256455059	  -1.738745813750
Cl	  -3.848289650105	  -0.305448441692	   0.986558324641
P 	   0.572547815943	  -0.828284519145	   0.308095146242
Cl	   2.520502228172	  -1.286782398900	   0.188551670627
Cl	   0.193312765947	  -1.138226064331	   2.251990007539
Cl	   0.619647166411	   1.173540005112	   0.201705657021
C 	   0.122754367176	  -2.854696021833	  -5.096024602081
Cl	   0.168630970836	  -2.773873162779	  -6.837135049500
C 	  -1.058148249024	  -3.194626726349	  -4.459181246286
C 	  -1.081249541216	  -3.266105226434	  -3.052908110095
C 	   0.081134886612	  -2.906910556753	  -2.368261885675
C 	   1.304632919221	  -2.663563410489	  -2.989316884593
C 	   1.303834632543	  -2.605695745635	  -4.374198398216
H 	  -1.946807507325	  -3.466329810759	  -5.030679053196
H 	  -1.942187038532	  -3.706722375762	  -2.542343211466
H 	   2.214115848937	  -2.467741731240	  -2.424058690109
H 	   2.222809697131	  -2.349721802568	  -4.904666721159
O 	   0.494272510229	  -4.315553389681	  -0.846708119846
S 	  -0.631288842938	  -4.833208774262	  -0.000870351132
O 	  -0.254064327933	  -5.166528441634	   1.360524022138
O 	  -1.872342829562	  -4.057610324731	  -0.185092311124
C 	  -1.010454463113	  -6.457492276511	  -0.803284453796
F 	  -1.303569508057	  -6.283741543830	  -2.087218859055
F 	   0.032370757362	  -7.269262594615	  -0.714167491673
F 	  -2.047949853388	  -7.028196543402	  -0.207179806975
28
TS_CO-PdL2 (VL_PR3, r0 = 2.0, θ = 150), G = -5222.349878098983
Pd	  -0.998290409103	  -1.771716122520	  -1.152935729079
P 	  -3.179115433301	  -0.684738799256	  -0.848841550345
Cl	  -3.380032538627	   1.050272280222	  -1.833139411667
Cl	  -4.704235832192	  -1.768304035169	  -1.568153454052
Cl	  -3.817240991123	  -0.213016314896	   0.992072703955
P 	   0.605392925077	  -0.788368114965	   0.315076860991
Cl	   2.554266490418	  -1.239967209309	   0.184200800345
Cl	   0.245553806003	  -1.071073894969	   2.266797790559
Cl	   0.640295715235	   1.211663750292	   0.175457390474
C 	   0.156025850326	  -2.844423896030	  -5.081606979975
Cl	   0.214841349098	  -2.763336751798	  -6.822287331339
C 	  -1.032629617301	  -3.171477557079	  -4.452611756309
C 	  -1.065491971882	  -3.246200139284	  -3.046818673901
C 	   0.094501038728	  -2.899450344610	  -2.352656439845
C 	   1.324932920751	  -2.673420913188	  -2.966686546766
C 	   1.335030354150	  -2.612875631628	  -4.351360173162
H 	  -1.919423312115	  -3.434529485858	  -5.030787038659
H 	  -1.933119562675	  -3.683000861612	  -2.545100385993
H 	   2.235035922777	  -2.498162452399	  -2.396895859917
H 	   2.261919540948	  -2.372101028797	  -4.875054420860
O 	   0.485434039358	  -4.326726092164	  -0.849117997895
S 	  -0.645397846257	  -4.845434544853	  -0.010716408219
O 	  -0.269455119783	  -5.217416220045	   1.340760229463
O 	  -1.872950594971	  -4.044207199858	  -0.172645387131
C 	  -1.058453249696	  -6.443791569902	  -0.848380564539
F 	  -1.356283490863	  -6.235772855299	  -2.126106065699
F 	  -0.030261429782	  -7.276388508271	  -0.784682854930
F 	  -2.102537044264	  -7.009035566128	  -0.258665486294
28
TS_CO-PdL2 (VL_PR3, r0 = 2.0, θ = 160), G = -5222.343800318466
Pd	  -1.004109122535	  -1.601132464851	  -1.133376920395
P 	  -3.196660697681	  -0.414863949242	  -0.969339249128
Cl	  -3.302362138459	   1.161033439916	  -2.203925701226
Cl	  -4.786757812811	  -1.509414609254	  -1.507646927666
Cl	  -3.781902563694	   0.370844376004	   0.779897818050
P 	   0.605215613823	  -0.808994548614	   0.457557077547
Cl	   2.546266013601	  -1.272421813389	   0.272169182264
Cl	   0.229078827228	  -1.244791215480	   2.377221319199
Cl	   0.664928931130	   1.195307614189	   0.473516067469
C 	   0.047646296519	  -3.012393341556	  -5.000416279504
Cl	   0.082970884995	  -3.108882262633	  -6.740570775067
C 	  -1.140603544036	  -3.240828241952	  -4.327391858650
C 	  -1.150615408068	  -3.175100278383	  -2.920599622926
C 	   0.031266778901	  -2.803504701887	  -2.285465131545
C 	   1.256675360793	  -2.668237934159	  -2.928706934906
C 	   1.243933110646	  -2.742744419879	  -4.313827279849
H 	  -2.040304358262	  -3.540536295759	  -4.866096631473
H 	  -2.011346394620	  -3.551273776911	  -2.356458465476
H 	   2.178824469328	  -2.456869653970	  -2.392562415810
H 	   2.166394540985	  -2.574019709785	  -4.872149555718
O 	   0.409564695844	  -4.166918889880	  -0.616540058051
S 	  -0.719094293219	  -4.943732644676	  -0.012185772566
O 	  -0.443038174979	  -5.451561108808	   1.321156666820
O 	  -2.031400739332	  -4.321483399284	  -0.230568402188
C 	  -0.758714243826	  -6.460919157359	  -1.076272538971
F 	  -0.968619159584	  -6.143148420904	  -2.350630248381
F 	   0.393550001189	  -7.113115674348	  -0.993986168991
F 	  -1.732475364975	  -7.273296996557	  -0.683685933654
28
TS_CO-PdL2 (VL_PR3, r0 = 2.0, θ = 170), G = -5222.335443183724
Pd	  -0.934839891543	  -1.545343773961	  -1.092216847130
P 	  -3.279085108944	  -0.412749867821	  -0.983683012186
Cl	  -3.423262569572	   1.124615663821	  -2.262311127102
Cl	  -4.872789009866	  -1.537485521473	  -1.442606981830
Cl	  -3.824013303875	   0.431467993467	   0.751673871160
P 	   0.699980009995	  -0.756824772833	   0.485781706162
Cl	   2.654202174709	  -1.103033524592	   0.205284369019
Cl	   0.432720789903	  -1.276223855196	   2.402895381683
Cl	   0.647004999358	   1.245999229411	   0.568590720979
C 	   0.072933817548	  -3.050732273961	  -4.975691414825
Cl	   0.129768390980	  -3.183340198919	  -6.712937600589
C 	  -1.130027900943	  -3.236402190532	  -4.314680914896
C 	  -1.159785380342	  -3.146047061566	  -2.911015768771
C 	   0.020220382297	  -2.795508456722	  -2.262876773093
C 	   1.257011431557	  -2.704702885132	  -2.892675715780
C 	   1.264790144656	  -2.800644740355	  -4.276626618912
H 	  -2.028202361803	  -3.524399991011	  -4.861727576805
H 	  -2.037807570449	  -3.484434439157	  -2.351275623769
H 	   2.177842543330	  -2.521885858060	  -2.346007159990
H 	   2.200892245084	  -2.672051575065	  -4.822587548189
O 	   0.325968049915	  -4.129423447667	  -0.596355600787
S 	  -0.795995108865	  -4.959943347078	  -0.045798543752
O 	  -0.540421534453	  -5.478217064916	   1.287227631976
O 	  -2.121633148386	  -4.386280927029	  -0.299593635854
C 	  -0.745098753622	  -6.459180759748	  -1.133945781100
F 	  -0.934554621693	  -6.127921308329	  -2.407643947724
F 	   0.428835361830	  -7.068550117686	  -1.031512884406
F 	  -1.696342567876	  -7.313755007282	  -0.778567344261
28
TS_CO-PdL2 (VL_PR3, r0 = 2.0, θ = 180), G = -5222.325217884341
Pd	  -0.993260783560	  -1.643739909616	  -0.772918723303
P 	  -3.060889079809	  -0.513496575488	  -1.144324123191
Cl	  -3.072005934159	   0.990779929930	  -2.470371300170
Cl	  -4.781885568686	  -1.462229637543	  -1.541307319979
Cl	  -3.530994684612	   0.460341670500	   0.546140047502
P 	   1.154125305233	  -0.876509389545	   0.803694134932
Cl	   2.969523509693	  -1.721714980362	   0.902576237951
Cl	   0.586624557359	  -0.851714859554	   2.727349898528
Cl	   1.597756446878	   1.054242604554	   0.488712496481
C 	  -0.057040608014	  -2.973922016371	  -5.035125752553
Cl	   0.203684748855	  -3.015949902712	  -6.759565103291
C 	  -1.252358038674	  -3.466848772230	  -4.509108252563
C 	  -1.471917236916	  -3.445596668358	  -3.135436693086
C 	  -0.484284722945	  -2.890588524501	  -2.323427107323
C 	   0.754487429734	  -2.488834595710	  -2.821163480758
C 	   0.946703845725	  -2.487290378262	  -4.201970128991
H 	  -2.007557770106	  -3.892403385800	  -5.171048486754
H 	  -2.375235056168	  -3.871056129322	  -2.701982901648
H 	   1.565172110579	  -2.198873447140	  -2.154614442568
H 	   1.893839436065	  -2.143352165007	  -4.619828465577
O 	  -0.148267570929	  -3.833233320863	  -0.760746459813
S 	  -1.063083356553	  -4.923444684290	  -0.157548346665
O 	  -0.719799720784	  -5.155639474723	   1.228072696514
O 	  -2.455236874593	  -4.766632320223	  -0.536694650871
C 	  -0.458290412074	  -6.414727937319	  -1.080508314929
F 	  -0.648280805754	  -6.263094271219	  -2.381162917204
F 	   0.829409251146	  -6.602631409788	  -0.851905882428
F 	  -1.132626908037	  -7.474839528467	  -0.666671399028
28
TS_CO-PdL2 (VL_PR3, r0 = 2.1, θ = 120), G = -5222.351476178952
Pd	  -1.109518436685	  -1.596179173527	  -1.245229115986
P 	  -3.071244348833	  -0.213301477069	  -0.863208243433
Cl	  -2.965726712331	   1.688033408424	  -1.736896548475
Cl	  -4.781186629755	  -1.004646869829	  -1.779882032866
Cl	  -3.801582103746	   0.229899237646	   1.049778201720
P 	   0.472755737957	  -0.961254668638	   0.341628999503
Cl	   2.485658983409	  -1.535270324793	   0.245893334785
Cl	   0.011800648738	  -1.418939982580	   2.333650946689
Cl	   0.684456390452	   1.121384163555	   0.450740636615
C 	   0.001734499341	  -3.144311045631	  -5.070534815357
Cl	   0.069817779557	  -3.320317039445	  -6.801487999815
C 	  -1.192289920034	  -3.385812061279	  -4.408312862390
C 	  -1.230001594427	  -3.255302638107	  -3.008281863146
C 	  -0.073270922708	  -2.808652022840	  -2.383472868198
C 	   1.157552080665	  -2.637705270468	  -3.001026465359
C 	   1.173095548069	  -2.786713240717	  -4.381364569942
H 	  -2.075021003909	  -3.733745564243	  -4.946485993397
H 	  -2.097484125142	  -3.610988459326	  -2.438171353066
H 	   2.051671124896	  -2.337494333735	  -2.455713663222
H 	   2.096312198240	  -2.600926330218	  -4.932960351441
O 	   0.311932044818	  -3.999962734527	  -0.531688791000
S 	  -0.746075668351	  -4.898759087653	   0.035694555739
O 	  -0.481687611727	  -5.326747632502	   1.398795434956
O 	  -2.109822379451	  -4.452977216252	  -0.275807515474
C 	  -0.536590361197	  -6.431770593768	  -0.982605148273
F 	  -0.704813234330	  -6.166744893596	  -2.275178804638
F 	   0.677621993881	  -6.938825389184	  -0.815287280767
F 	  -1.429782468473	  -7.344968839138	  -0.623470564612
28
TS_CO-PdL2 (VL_PR3, r0 = 2.1, θ = 130), G = -5222.359965709878
Pd	  -1.006178612866	  -1.837370071872	  -1.154156661357
P 	  -3.121941527691	  -0.726450380266	  -0.755469389381
Cl	  -3.314892996619	   1.197336815503	  -1.563891702100
Cl	  -4.707429478815	  -1.717237848990	  -1.701816853949
Cl	  -3.906994038209	  -0.456693270879	   1.168484716980
P 	   0.625094498303	  -0.819846109310	   0.198959347499
Cl	   2.659432009645	  -1.322516373009	   0.148483299426
Cl	   0.248229713715	  -0.986468827538	   2.253962097364
Cl	   0.739015009551	   1.262542178403	  -0.012962467957
C 	   0.169174892989	  -2.850446937408	  -5.128573310032
Cl	   0.246549525788	  -2.752195343415	  -6.865881598015
C 	  -1.018275775998	  -3.224554677817	  -4.518874724029
C 	  -1.070345304254	  -3.313645587530	  -3.116890760273
C 	   0.067622482318	  -2.927874251205	  -2.412628875642
C 	   1.298139811959	  -2.647140727144	  -2.996346197785
C 	   1.327384090894	  -2.578609433497	  -4.381832738398
H 	  -1.890883224608	  -3.503676710183	  -5.111143863281
H 	  -1.943860989648	  -3.751045318234	  -2.626701525314
H 	   2.187717937842	  -2.432229465654	  -2.406468644222
H 	   2.252331996589	  -2.298244860119	  -4.888730466431
O 	   0.480109433226	  -4.344470147627	  -0.864724418533
S 	  -0.651557539794	  -4.804011981364	   0.003176793593
O 	  -0.290304565272	  -5.093015791518	   1.377742855042
O 	  -1.868990718015	  -3.989483302028	  -0.215302421358
C 	  -1.096943126101	  -6.437523181057	  -0.743269017739
F 	  -1.391549863093	  -6.288718324252	  -2.029115195270
F 	  -0.082959305811	  -7.281085375395	  -0.634296717495
F 	  -2.149382827096	  -6.948324776020	  -0.122616302147
28
TS_CO-PdL2 (VL_PR3, r0 = 2.1, θ = 140), G = -5222.357095626660
Pd	  -1.006143892397	  -1.859606224696	  -1.097067935392
P 	  -3.143054251419	  -0.719536842096	  -0.777586235786
Cl	  -3.406594234395	   0.829609755530	  -2.164223886301
Cl	  -4.812700351594	  -1.918354822483	  -1.184198487032
Cl	  -3.728780289295	   0.215443140849	   1.004119398007
P 	   0.630551116912	  -0.847236830323	   0.283300434739
Cl	   2.671668336247	  -1.318078202151	   0.205825766821
Cl	   0.270972048824	  -1.064208385389	   2.336666403597
Cl	   0.708657595559	   1.240821164426	   0.116059668269
C 	   0.180034910261	  -2.797056434260	  -5.103826670744
Cl	   0.269581285574	  -2.672212545260	  -6.838748464566
C 	  -1.008093835050	  -3.192865986329	  -4.508725139688
C 	  -1.070859128624	  -3.305826434313	  -3.109506594022
C 	   0.058045498825	  -2.922942471693	  -2.387996885906
C 	   1.289518757663	  -2.621870415466	  -2.960263143418
C 	   1.329339794172	  -2.527096826181	  -4.344064294230
H 	  -1.872365799852	  -3.471957238092	  -5.113029919043
H 	  -1.945140427854	  -3.756948827037	  -2.634140090658
H 	   2.175035736576	  -2.417271155457	  -2.361532108715
H 	   2.256231874659	  -2.231818319796	  -4.838723631117
O 	   0.480875217326	  -4.376923563556	  -0.881497238564
S 	  -0.655583385360	  -4.852832470784	  -0.028896594713
O 	  -0.304232286878	  -5.168597107198	   1.342413865569
O 	  -1.870144772933	  -4.031784213261	  -0.240187582452
C 	  -1.095204973600	  -6.472109097622	  -0.808785201304
F 	  -1.380757198047	  -6.300210119959	  -2.093669928458
F 	  -0.081076210827	  -7.316487442396	  -0.707703663317
F 	  -2.151469625570	  -6.995042164408	  -0.204896582330
28
TS_CO-PdL2 (VL_PR3, r0 = 2.1, θ = 150), G = -5222.349888449997
Pd	  -1.034195168623	  -1.562277531316	  -1.158086428154
P 	  -3.145232804764	  -0.347425574962	  -0.853769381552
Cl	  -3.252348244156	   1.388974307539	  -2.022025934411
Cl	  -4.827062074592	  -1.408632013716	  -1.512668639320
Cl	  -3.795185255644	   0.362090205319	   1.007726119094
P 	   0.628928856204	  -0.861861930505	   0.390817873480
Cl	   2.639718172917	  -1.437177408036	   0.260229872337
Cl	   0.223088132041	  -1.244813234521	   2.410383493337
Cl	   0.827288844410	   1.224831857529	   0.404004605015
C 	   0.036970887771	  -3.115771647743	  -5.028363506247
Cl	   0.113520895029	  -3.292984128110	  -6.759054863387
C 	  -1.174746363357	  -3.295747171161	  -4.378017814353
C 	  -1.219954433101	  -3.168653882065	  -2.978457970279
C 	  -0.049872711188	  -2.778901882353	  -2.341199966253
C 	   1.195037827295	  -2.683452195250	  -2.944354407497
C 	   1.218281633760	  -2.828488800114	  -4.325668559087
H 	  -2.066154712605	  -3.603211340598	  -4.926268555311
H 	  -2.101563330553	  -3.499364129568	  -2.415362948850
H 	   2.101575383706	  -2.446179378124	  -2.391540181114
H 	   2.157692007800	  -2.697545211801	  -4.865386151096
O 	   0.182678746523	  -3.983102009511	  -0.480820550197
S 	  -0.894138549994	  -4.924606702865	  -0.023311501742
O 	  -0.718703402283	  -5.392526188019	   1.340739076929
O 	  -2.240458669833	  -4.499837524250	  -0.419162578375
C 	  -0.564437233205	  -6.413702374737	  -1.074799440608
F 	  -0.626326419992	  -6.101013887079	  -2.365970379633
F 	   0.640525169133	  -6.906166724090	  -0.821480654004
F 	  -1.466615673792	  -7.355453579319	  -0.829015369551
28
TS_CO-PdL2 (VL_PR3, r0 = 2.1, θ = 160), G = -5222.343343358421
Pd	  -1.009940581026	  -1.559171387767	  -1.124904779996
P 	  -3.179572405780	  -0.358359421072	  -0.884959559725
Cl	  -3.283460762756	   1.356455318564	  -2.085011061095
Cl	  -4.865197767283	  -1.431049721709	  -1.514414997194
Cl	  -3.818733231905	   0.396620440553	   0.962634257344
P 	   0.672795192452	  -0.833551199097	   0.431799136827
Cl	   2.686829419924	  -1.393159812361	   0.283774573072
Cl	   0.287233571632	  -1.205343105423	   2.457382586494
Cl	   0.845517637093	   1.255346514878	   0.421927389333
C 	   0.037514488634	  -3.118164173116	  -5.013998538253
Cl	   0.113495727041	  -3.301051271118	  -6.744117114463
C 	  -1.174297051893	  -3.295967135947	  -4.362487816265
C 	  -1.219941421023	  -3.164202347645	  -2.964120643635
C 	  -0.050513434893	  -2.772826643682	  -2.327312730190
C 	   1.194457027182	  -2.683652091084	  -2.930502526378
C 	   1.218373460455	  -2.831026051443	  -4.312056927192
H 	  -2.064576426888	  -3.607241719428	  -4.910143871203
H 	  -2.100900714343	  -3.492410478906	  -2.399015859503
H 	   2.102587607379	  -2.453003940359	  -2.378650587941
H 	   2.158483342487	  -2.705025090429	  -4.851630300819
O 	   0.165488307813	  -3.990581628353	  -0.470595262512
S 	  -0.909575447480	  -4.944954397299	  -0.036763391251
O 	  -0.741677717274	  -5.437318913646	   1.319646826892
O 	  -2.254396546804	  -4.517056590444	  -0.432997539855
C 	  -0.567919851284	  -6.418420886889	  -1.107548929833
F 	  -0.620351773767	  -6.091142308933	  -2.395376686588
F 	   0.636265464008	  -6.911374798930	  -0.851090578183
F 	  -1.469674602759	  -7.365367238322	  -0.880349808663
28
TS_CO-PdL2 (VL_PR3, r0 = 2.1, θ = 170), G = -5222.341985402346
Pd	  -0.966210030351	  -1.688468043840	  -0.774306000572
P 	  -2.936346961912	  -0.501478840007	  -1.141609785498
Cl	  -2.783518136501	   1.336363722085	  -2.139381380143
Cl	  -4.661402576378	  -1.294182490714	  -2.030439802686
Cl	  -3.717250892771	   0.148117491788	   0.693304527191
P 	   1.088275576062	  -0.872849894965	   0.759610127632
Cl	   3.041236272598	  -1.633681154094	   0.743521867976
Cl	   0.614546653517	  -0.976287339863	   2.799087625769
Cl	   1.451839990589	   1.181831494782	   0.554511278561
C 	  -0.110854434456	  -3.017744859091	  -5.072840883312
Cl	   0.121642306539	  -3.063576545443	  -6.799305454532
C 	  -1.300872908619	  -3.505174782445	  -4.529399407368
C 	  -1.500303301976	  -3.479503784070	  -3.151862984892
C 	  -0.497437640506	  -2.916053711244	  -2.372403163221
C 	   0.737159109921	  -2.522180012437	  -2.873999677305
C 	   0.908967904096	  -2.531217362622	  -4.258067808507
H 	  -2.070577845892	  -3.924979967062	  -5.178410559903
H 	  -2.400234201284	  -3.895565059919	  -2.701795297462
H 	   1.554644173919	  -2.224146331143	  -2.218530721447
H 	   1.850971319981	  -2.191834337378	  -4.690907110259
O 	  -0.157329152271	  -3.818731921169	  -0.737793265136
S 	  -1.069013609568	  -4.906362486023	  -0.117771815764
O 	  -0.745533491552	  -5.094326924060	   1.278757750426
O 	  -2.455424630717	  -4.775065906444	  -0.525898259384
C 	  -0.416221350624	  -6.403177639615	  -0.997025543857
F 	  -0.587218577073	  -6.278169924164	  -2.303000800288
F 	   0.870281635840	  -6.556710132915	  -0.741529995506
F 	  -1.075503691703	  -7.467843337349	  -0.573398201319
28
TS_CO-PdL2 (VL_PR3, r0 = 2.1, θ = 180), G = -5222.335484762587
Pd	  -1.363288463966	  -1.761266183389	  -0.850953293395
P 	  -3.106444878688	  -0.369711612188	  -1.253085344142
Cl	  -2.950608713412	   1.232274985260	  -2.596488446101
Cl	  -5.003208673032	  -1.119304306303	  -1.738670942362
Cl	  -3.569375739213	   0.677025228488	   0.505069757100
P 	   1.461136370710	  -1.009621414095	   0.950540453100
Cl	   3.512042724395	  -1.257618335239	   0.591236793032
Cl	   1.338540692465	  -1.581570518774	   2.964124163736
Cl	   1.345456911734	   1.075753022042	   1.140301364263
C 	  -0.057329657311	  -3.060907659490	  -5.062419178650
Cl	   0.319391566363	  -3.107387827025	  -6.764140395649
C 	  -1.252205998169	  -3.620677146937	  -4.608027456800
C 	  -1.562081376120	  -3.600405896758	  -3.250293315052
C 	  -0.660322820529	  -2.975774958890	  -2.396057140143
C 	   0.573845120193	  -2.483370368278	  -2.811423645503
C 	   0.855860339317	  -2.492818386468	  -4.175618671854
H 	  -1.941702418705	  -4.090639431161	  -5.310882237516
H 	  -2.472198148180	  -4.063936066897	  -2.872873860822
H 	   1.305183126089	  -2.108902097543	  -2.094973477339
H 	   1.801216089971	  -2.086574175387	  -4.538078877127
O 	  -0.383091595621	  -3.735885212141	  -0.756547601917
S 	  -1.206106179173	  -4.930073223217	  -0.173690145992
O 	  -0.936250386081	  -5.053865901059	   1.239230347627
O 	  -2.567550946742	  -4.954113363903	  -0.667617228399
C 	  -0.325895321032	  -6.341817484574	  -0.997905702573
F 	  -0.437531630287	  -6.245542660359	  -2.310718422370
F 	   0.950895676458	  -6.335532342137	  -0.666721472390
F 	  -0.880064162528	  -7.470736742994	  -0.594200763548
