28
TS_CO-PdL2 (VL_PAr3, r0 = 1.3, θ = 120), G = -5219.821241156102
Pd	  -1.074486282132	  -1.616109611930	  -1.252562277221
P 	  -2.943594210421	   0.022216414794	  -1.230926189071
Cl	  -2.466779209583	   1.170725230399	  -2.090945770455
Cl	  -4.119004692876	  -0.689111358625	  -1.861741394932
Cl	  -3.280527368970	   0.487759285267	   0.167865766446
P 	   0.165604075400	  -0.850311342427	   0.667242970775
Cl	   1.487108281271	  -1.579786116487	   0.724601864328
Cl	  -0.691334713857	  -1.146376254885	   1.876381184002
Cl	   0.362427326517	   0.636616689859	   0.477156409275
C 	  -0.212784011346	  -2.785079260166	  -4.929273983999
Cl	  -0.296609515963	  -2.603919640364	  -6.675275590101
C 	  -1.326894826256	  -3.152286162913	  -4.215032286354
C 	  -1.260063883894	  -3.253583074122	  -2.798402591278
C 	  -0.006374168537	  -3.024479078892	  -2.128229641406
C 	   1.145964686917	  -2.718412134251	  -2.923165923884
C 	   1.031122386297	  -2.562113856291	  -4.281607464504
H 	  -2.262497385637	  -3.383395898538	  -4.729619455524
H 	  -2.074118540784	  -3.761252217874	  -2.274383289675
H 	   2.112432066332	  -2.573992231796	  -2.433769982438
H 	   1.897829235810	  -2.258528360852	  -4.873084060424
O 	   0.566051469616	  -4.336789674666	  -1.082952042041
S 	  -0.309364518419	  -5.062423776291	  -0.070073813736
O 	   0.434493237995	  -5.388164130509	   1.133131893804
O 	  -1.650019986682	  -4.511486130617	   0.070116769141
C 	  -0.560353330149	  -6.681521809751	  -0.933649886485
F 	  -1.151739232867	  -6.494993148904	  -2.106291425568
F 	   0.600686002718	  -7.287426637934	  -1.134605470070
F 	  -1.328861381591	  -7.468775790593	  -0.191789059396
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.3, θ = 130), G = -5219.820975177970
Pd	  -1.055854556686	  -1.615799545160	  -1.238064988011
P 	  -2.960127763688	  -0.013534767673	  -1.224094384552
Cl	  -2.493286571213	   1.175198026260	  -2.033378639580
Cl	  -4.104264789794	  -0.731161483924	  -1.903088957983
Cl	  -3.336132574698	   0.395674272809	   0.182374889963
P 	   0.181298082316	  -0.755811856491	   0.648630432217
Cl	   1.555945682815	  -1.381347998167	   0.672355042166
Cl	  -0.618706963930	  -1.101757683888	   1.883231706045
Cl	   0.259959736050	   0.740190651852	   0.443124162656
C 	  -0.195728900030	  -2.815082691763	  -4.902419146145
Cl	  -0.284110487314	  -2.649932472994	  -6.649756082405
C 	  -1.308864139958	  -3.170996996217	  -4.181459565950
C 	  -1.237668532518	  -3.259203700136	  -2.763608102838
C 	   0.019924928859	  -3.028738179702	  -2.100944441102
C 	   1.171379378621	  -2.739102725957	  -2.902383459605
C 	   1.052158415482	  -2.593474189612	  -4.261521972823
H 	  -2.246118527452	  -3.405499436542	  -4.691396274689
H 	  -2.049456549528	  -3.765130387235	  -2.234411845388
H 	   2.141069171510	  -2.598192975374	  -2.418641012973
H 	   1.918263853708	  -2.300419390625	  -4.859175362154
O 	   0.591239210289	  -4.346150723724	  -1.046034936594
S 	  -0.298873547662	  -5.093401250270	  -0.063888942578
O 	   0.445888874888	  -5.508744297996	   1.110778858228
O 	  -1.617666917541	  -4.503309782134	   0.120876779042
C 	  -0.622465917429	  -6.658802182225	  -1.000881776836
F 	  -1.222448338631	  -6.399564845952	  -2.155203063996
F 	   0.512442929505	  -7.297125023452	  -1.247541120518
F 	  -1.409483677031	  -7.451778443106	  -0.284362534388
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.3, θ = 140), G = -5219.820445049237
Pd	  -1.045522670707	  -1.613498630936	  -1.227259215996
P 	  -2.971350882166	  -0.026572651930	  -1.218481405675
Cl	  -2.520607445254	   1.166406637718	  -2.030549700621
Cl	  -4.110185244788	  -0.758947450312	  -1.890301348784
Cl	  -3.344974793876	   0.381350613299	   0.189090371081
P 	   0.191488639083	  -0.709733591857	   0.645625230414
Cl	   1.577703967586	  -1.308492560072	   0.674594122225
Cl	  -0.598837109696	  -1.042368246016	   1.890057053590
Cl	   0.241035697084	   0.783198954047	   0.409458331020
C 	  -0.185572095161	  -2.827692742830	  -4.889648004352
Cl	  -0.273831865238	  -2.672962148314	  -6.637904554926
C 	  -1.299185494332	  -3.176464934420	  -4.166243049345
C 	  -1.227451881246	  -3.257262108894	  -2.747722325713
C 	   0.031656495034	  -3.028921466750	  -2.087491887277
C 	   1.183556000977	  -2.747876900024	  -2.891263534014
C 	   1.063605408022	  -2.607315896489	  -4.250807022141
H 	  -2.236436456090	  -3.413676617065	  -4.674818478478
H 	  -2.038499787893	  -3.762364494497	  -2.216737267367
H 	   2.154819936588	  -2.610494114623	  -2.410066782360
H 	   1.930314439591	  -2.320493847721	  -4.850624677499
O 	   0.597158126435	  -4.353471112711	  -1.033082108634
S 	  -0.301115448362	  -5.112297623411	  -0.067928993162
O 	   0.439533745364	  -5.565133527256	   1.095327871294
O 	  -1.612222398866	  -4.509975849902	   0.132066398854
C 	  -0.647116513242	  -6.654925156819	  -1.035323901001
F 	  -1.254698490154	  -6.369573169558	  -2.179400636032
F 	   0.480020486865	  -7.298457446727	  -1.304062206605
F 	  -1.434972856623	  -7.454983995343	  -0.327387019252
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.3, θ = 150), G = -5219.818954613707
Pd	  -1.033648394285	  -1.605691807941	  -1.217376471192
P 	  -2.979302188779	  -0.030288341465	  -1.216531188329
Cl	  -2.541259463750	   1.166864098715	  -2.029296789387
Cl	  -4.116346111322	  -0.772266397365	  -1.880381745174
Cl	  -3.346241675492	   0.374802943347	   0.193747197889
P 	   0.197506277655	  -0.663192558967	   0.650731684933
Cl	   1.591058442368	  -1.243173002450	   0.695207709168
Cl	  -0.596070886477	  -0.977723489664	   1.897737652826
Cl	   0.228852291048	   0.825393002713	   0.384714174983
C 	  -0.179155423351	  -2.845681560741	  -4.877036438368
Cl	  -0.268447057271	  -2.707391849774	  -6.626544641768
C 	  -1.293008106397	  -3.183358719040	  -4.149168592302
C 	  -1.219600257304	  -3.252427220108	  -2.729799838097
C 	   0.041933228810	  -3.027030059265	  -2.073785087600
C 	   1.193694122802	  -2.757866700715	  -2.881781497157
C 	   1.072057156820	  -2.626075783678	  -4.241980105659
H 	  -2.230798181330	  -3.424289612217	  -4.654801156038
H 	  -2.030392341179	  -3.753960175717	  -2.195225028967
H 	   2.167181149736	  -2.624677193572	  -2.404443031879
H 	   1.939196192037	  -2.348593231211	  -4.845556289280
O 	   0.601340777927	  -4.358904728860	  -1.019721289061
S 	  -0.304880446371	  -5.132921673553	  -0.075009089818
O 	   0.429338140848	  -5.619466138231	   1.078528655136
O 	  -1.611611272427	  -4.524962467318	   0.136304672424
C 	  -0.661786863413	  -6.653794082611	  -1.073329210042
F 	  -1.272325360009	  -6.345066383639	  -2.209670401309
F 	   0.461577288785	  -7.297098522623	  -1.358454205940
F 	  -1.450549530751	  -7.464158423473	  -0.377964390778
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.3, θ = 160), G = -5219.816141745606
Pd	  -1.037982692635	  -1.548621949997	  -1.196942197223
P 	  -2.985439522582	   0.042890935063	  -1.204647749471
Cl	  -2.548813428628	   1.238355603957	  -2.020638137655
Cl	  -4.135161511826	  -0.692146675211	  -1.853880254098
Cl	  -3.330978942176	   0.449614607665	   0.210701775455
P 	   0.242332695497	  -0.568536360776	   0.636001820811
Cl	   1.644431740169	  -1.128677125283	   0.645778803301
Cl	  -0.511771148652	  -0.871404573951	   1.910093934317
Cl	   0.243860139215	   0.915900764901	   0.345520744096
C 	  -0.201055987972	  -2.929810061121	  -4.824587379937
Cl	  -0.281873160580	  -2.856400823832	  -6.578084609859
C 	  -1.324982099332	  -3.208687572714	  -4.087901830465
C 	  -1.256884685028	  -3.228915273280	  -2.666520252011
C 	   0.008580488883	  -3.013386262337	  -2.016144273400
C 	   1.169270124177	  -2.809527738190	  -2.829848083855
C 	   1.054711346489	  -2.724879713166	  -4.194294191367
H 	  -2.267200624423	  -3.445563196923	  -4.586941260974
H 	  -2.078144448596	  -3.698565830957	  -2.119964937029
H 	   2.146341544598	  -2.692385406095	  -2.356556125119
H 	   1.931647269354	  -2.498734774337	  -4.804962917442
O 	   0.539121241419	  -4.298499670834	  -0.887476851172
S 	  -0.402764060539	  -5.187123427683	  -0.090166550379
O 	   0.246783714217	  -5.704794711940	   1.099645061350
O 	  -1.759495391533	  -4.671853892913	   0.027760274067
C 	  -0.549694374309	  -6.657742864192	  -1.209726796579
F 	  -1.066430113281	  -6.315780923920	  -2.382390957060
F 	   0.640978977385	  -7.202771255889	  -1.415046605072
F 	  -1.341075580680	  -7.564951905272	  -0.649665194528
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.3, θ = 170), G = -5219.811737072362
Pd	  -1.020771026553	  -1.522452086173	  -1.181517609340
P 	  -3.018700361920	   0.026562630032	  -1.201074353271
Cl	  -2.600635330601	   1.269699638772	  -1.953116817853
Cl	  -4.137511275644	  -0.708933746556	  -1.901163443144
Cl	  -3.393622282530	   0.358272489829	   0.226384198921
P 	   0.279523035569	  -0.472715088415	   0.622780836549
Cl	   1.690919124836	  -1.008846945041	   0.623395131070
Cl	  -0.449076360154	  -0.750452444420	   1.917221033579
Cl	   0.248546303208	   1.002049384672	   0.288117401315
C 	  -0.190033143793	  -2.968980007538	  -4.790148959281
Cl	  -0.268573214968	  -2.932101160348	  -6.544704765471
C 	  -1.317501539071	  -3.215901693981	  -4.048282933114
C 	  -1.249167533368	  -3.210946535574	  -2.625990276070
C 	   0.020667725389	  -3.005881571253	  -1.982160690009
C 	   1.184362654386	  -2.840843016623	  -2.799457217382
C 	   1.070077460956	  -2.776157187387	  -4.164726652515
H 	  -2.261175748209	  -3.453986218423	  -4.543375476302
H 	  -2.071661874504	  -3.670030725569	  -2.072584820086
H 	   2.164667478120	  -2.740843185917	  -2.330193953923
H 	   1.950708491533	  -2.579468245765	  -4.780135944645
O 	   0.528748583766	  -4.296978890251	  -0.837963653411
S 	  -0.423026245886	  -5.223472431713	  -0.099611425852
O 	   0.212914566272	  -5.805429751034	   1.067729037987
O 	  -1.779056176258	  -4.709117980670	   0.032441274655
C 	  -0.567313309238	  -6.640063288895	  -1.288743851960
F 	  -1.080884576091	  -6.249164633533	  -2.447110654008
F 	   0.624850877220	  -7.174181163929	  -1.514878307387
F 	  -1.358964793541	  -7.572636223703	  -0.772011849828
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.3, θ = 180), G = -5219.806276262811
Pd	  -1.051590649558	  -1.339725601004	  -1.122056815975
P 	  -2.895339838995	   0.396570796752	  -1.355490710526
Cl	  -2.251450967898	   1.745099583322	  -1.588078399180
Cl	  -3.765977105571	  -0.012617655067	  -2.520085258140
Cl	  -3.659573446460	   0.382177702104	  -0.050567402382
P 	   0.318704225452	  -0.308655585895	   0.666339088606
Cl	   1.444083191130	  -1.230881067848	   1.067901515063
Cl	  -0.619930557829	  -0.019098799256	   1.815603482266
Cl	   0.824654579075	   0.974002297220	   0.045995570210
C 	  -0.470380235859	  -3.270555413698	  -4.555808140207
Cl	  -0.596818365762	  -3.444738915925	  -6.298684196507
C 	  -1.594120700802	  -3.308479042276	  -3.769956759764
C 	  -1.482145820564	  -3.144977540518	  -2.359684958375
C 	  -0.181266145317	  -2.996630112477	  -1.770918303984
C 	   0.968415945248	  -3.057175923339	  -2.619701849103
C 	   0.820437990704	  -3.144084368626	  -3.981137590040
H 	  -2.568384356478	  -3.515481040886	  -4.216045000256
H 	  -2.322705927050	  -3.475237163420	  -1.743938365817
H 	   1.966806219812	  -3.011580002493	  -2.183070892518
H 	   1.697766955723	  -3.123843843735	  -4.631414597834
O 	   0.210836553795	  -4.165175061240	  -0.427010217687
S 	  -0.508883377422	  -5.485213185488	  -0.215299066008
O 	   0.064090435355	  -6.211026083658	   0.904717319678
O 	  -1.958566459763	  -5.392168587898	  -0.310100515017
C 	   0.002789455645	  -6.483581152503	  -1.699248859075
F 	  -0.606572627384	  -6.075613151139	  -2.802275870289
F 	   1.314471197667	  -6.396325376518	  -1.884606609677
F 	  -0.311038657955	  -7.757985783903	  -1.496261338248
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.3, θ = 190), G = -5219.796274654547
Pd	  -1.032501904751	  -1.337422700953	  -1.111811982531
P 	  -3.001789340320	   0.305410465491	  -1.283373693779
Cl	  -2.455819586554	   1.637940355973	  -1.745031685195
Cl	  -4.006061587274	  -0.263664712167	  -2.257156791419
Cl	  -3.575536554402	   0.415734454270	   0.111796474947
P 	   0.402942933351	  -0.237516995422	   0.635799217887
Cl	   1.627537965588	  -1.071950892430	   0.922300825958
Cl	  -0.467558304046	  -0.054420998966	   1.857978997487
Cl	   0.752204728840	   1.095810837426	   0.014270162793
C 	  -0.388872103633	  -3.247344104635	  -4.568138823035
Cl	  -0.488446454806	  -3.422007054094	  -6.312319727434
C 	  -1.525634583108	  -3.269373121849	  -3.800954451590
C 	  -1.436109702500	  -3.113856689458	  -2.387883517245
C 	  -0.142978530873	  -2.980404921149	  -1.782553539991
C 	   1.019536311123	  -3.070370551166	  -2.607850869644
C 	   0.894086937648	  -3.150226211365	  -3.971911817969
H 	  -2.492230658163	  -3.471297334234	  -4.264091413333
H 	  -2.283491519326	  -3.454020976913	  -1.787786051646
H 	   2.010058461943	  -3.057096244311	  -2.153970129931
H 	   1.782753908977	  -3.151250624345	  -4.606827723841
O 	   0.197438477602	  -4.181663799824	  -0.432837474280
S 	  -0.573445330598	  -5.472356133526	  -0.229032734920
O 	  -0.045636842118	  -6.221071459742	   0.898136211607
O 	  -2.018040907071	  -5.326772468773	  -0.342274250863
C 	  -0.083191045622	  -6.493583146111	  -1.703817760484
F 	  -0.628229651079	  -6.040121155987	  -2.822843906750
F 	   1.236375424188	  -6.495109185370	  -1.848450917510
F 	  -0.489049034094	  -7.744994709766	  -1.520247367826
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.3, θ = 200), G = -5219.782767939433
Pd	  -1.010686962227	  -1.321249142611	  -1.101894182368
P 	  -3.098545634364	   0.249851517388	  -1.257611423331
Cl	  -2.612789605867	   1.613880248753	  -1.694598912324
Cl	  -4.088118077649	  -0.341793458834	  -2.232301600542
Cl	  -3.653233588257	   0.309017551910	   0.148380364204
P 	   0.507140755502	  -0.170500445838	   0.610311868620
Cl	   1.827538969965	  -0.892003055693	   0.726150190257
Cl	  -0.257576426992	  -0.137999842863	   1.913618359063
Cl	   0.663957483718	   1.220369623510	   0.038251903304
C 	  -0.335336496485	  -3.252362449234	  -4.560880418450
Cl	  -0.415431370522	  -3.447036393291	  -6.303362910197
C 	  -1.481954569692	  -3.251327604352	  -3.807512052308
C 	  -1.409224343254	  -3.089936461065	  -2.394929704503
C 	  -0.123472499661	  -2.964126165819	  -1.780206398173
C 	   1.047568033995	  -3.089239441194	  -2.583809127457
C 	   0.940129641097	  -3.177238469744	  -3.949454416590
H 	  -2.441853031143	  -3.453971824972	  -4.281827742934
H 	  -2.262139346432	  -3.427560854849	  -1.802021913613
H 	   2.029888423602	  -3.102962958279	  -2.115581990387
H 	   1.836706898453	  -3.206514895436	  -4.572129440507
O 	   0.166219246185	  -4.189815088577	  -0.414188337149
S 	  -0.630683407255	  -5.467305206007	  -0.240275099451
O 	  -0.138099388710	  -6.243396000341	   0.884577833458
O 	  -2.070856773783	  -5.293796855166	  -0.374662746809
C 	  -0.141526458105	  -6.486004840519	  -1.718041737430
F 	  -0.666064726888	  -6.016948869822	  -2.840510472475
F 	   1.179279985565	  -6.511988526322	  -1.849341440631
F 	  -0.572525221887	  -7.731040170144	  -1.547033192056
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.3, θ = 210), G = -5219.763544753008
Pd	  -0.981610232700	  -1.293212060059	  -1.093580720395
P 	  -3.214418705962	   0.200589534691	  -1.246580885813
Cl	  -2.760906007129	   1.644156633080	  -1.272981922452
Cl	  -4.010211995561	  -0.158626472635	  -2.477764042297
Cl	  -3.949046772613	  -0.096357530080	   0.040954507396
P 	   0.655925280742	  -0.096260090655	   0.560316632675
Cl	   2.047609279675	  -0.668501027844	   0.449153265319
Cl	   0.064596003455	  -0.234974573484	   1.943977033552
Cl	   0.584390014620	   1.336139648798	   0.080944442388
C 	  -0.294583500272	  -3.281500835111	  -4.544236350438
Cl	  -0.355613446118	  -3.510546998746	  -6.282554878184
C 	  -1.451554476056	  -3.239026088047	  -3.806600349633
C 	  -1.395246969780	  -3.062214736867	  -2.396946359908
C 	  -0.117959928848	  -2.947317203044	  -1.772753115484
C 	   1.059616213306	  -3.126121194077	  -2.549919196072
C 	   0.971505044816	  -3.236634955793	  -3.916258590379
H 	  -2.405859435043	  -3.434634501488	  -4.292072873368
H 	  -2.259069494946	  -3.377130001316	  -1.808324270077
H 	   2.029992393023	  -3.174462288756	  -2.063411516276
H 	   1.874894631812	  -3.313902078476	  -4.524059659613
O 	   0.110119584823	  -4.179257348737	  -0.374416692213
S 	  -0.695918261171	  -5.454815841848	  -0.243292619640
O 	  -0.238516948127	  -6.254008510512	   0.880533318259
O 	  -2.131448732556	  -5.271205571148	  -0.411832777726
C 	  -0.182659529442	  -6.461611050854	  -1.723740817229
F 	  -0.726550013654	  -6.012337890094	  -2.845063675939
F 	   1.137718525988	  -6.451081033675	  -1.862835450123
F 	  -0.576881013034	  -7.718146012798	  -1.547537177217
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.4, θ = 120), G = -5220.627226823043
Pd	  -1.065378712376	  -1.610588138745	  -1.265430607086
P 	  -2.944122060789	  -0.024223349423	  -1.192890941309
Cl	  -2.502421929890	   1.238636078448	  -2.004477219046
Cl	  -4.155043460425	  -0.723570524544	  -1.894719785553
Cl	  -3.338933740495	   0.383425457323	   0.265589951238
P 	   0.176470355224	  -0.847403442255	   0.629576087323
Cl	   1.594044001999	  -1.505891048205	   0.661652285107
Cl	  -0.638634654029	  -1.228986364808	   1.908766341872
Cl	   0.305711107520	   0.707646637484	   0.510789673022
C 	  -0.191712271225	  -2.814085988981	  -4.952024892521
Cl	  -0.270766372568	  -2.662747084117	  -6.699403763086
C 	  -1.311022498255	  -3.163920540544	  -4.235831302790
C 	  -1.244127804388	  -3.246654874228	  -2.818768365661
C 	   0.004171422105	  -3.000926633675	  -2.158996575708
C 	   1.162260962479	  -2.718965057729	  -2.943977489902
C 	   1.051255712031	  -2.588457854886	  -4.306919640568
H 	  -2.245906981179	  -3.400697160270	  -4.748570161479
H 	  -2.060023751625	  -3.740476202717	  -2.283944204912
H 	   2.126204934845	  -2.567399464467	  -2.452824378929
H 	   1.921011918640	  -2.300774818875	  -4.901644868856
O 	   0.576978702608	  -4.328166768886	  -1.049549676021
S 	  -0.326034900318	  -5.040384331944	  -0.058729352528
O 	   0.379901670482	  -5.377371201428	   1.164579513551
O 	  -1.663823478481	  -4.471473564032	   0.051697754923
C 	  -0.586373464206	  -6.657763454102	  -0.922265831023
F 	  -1.155439467510	  -6.466363578183	  -2.105889845329
F 	   0.568806050205	  -7.281768365349	  -1.103528211620
F 	  -1.378739781472	  -7.433648440268	  -0.193149233879
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.4, θ = 130), G = -5220.626992933509
Pd	  -1.056444477242	  -1.608685511972	  -1.247247262155
P 	  -2.952873227071	  -0.035134702893	  -1.190124241326
Cl	  -2.518140644854	   1.230478007679	  -2.001157411212
Cl	  -4.154816011818	  -0.746434292272	  -1.895159759040
Cl	  -3.356471829694	   0.371904749624	   0.266173450879
P 	   0.186988116672	  -0.781284275080	   0.623463493936
Cl	   1.620100716090	  -1.404421007733	   0.662374326259
Cl	  -0.611130657038	  -1.141350633361	   1.919462082844
Cl	   0.278380143319	   0.772278844271	   0.457758581457
C 	  -0.186044403089	  -2.836936453636	  -4.927576669045
Cl	  -0.268215562992	  -2.699515615330	  -6.675930519430
C 	  -1.304615698586	  -3.177859704918	  -4.206272430753
C 	  -1.234706217482	  -3.249610107259	  -2.788475202716
C 	   0.015978408465	  -3.002601578086	  -2.133836045697
C 	   1.173214681061	  -2.731704420717	  -2.923661308371
C 	   1.059346772960	  -2.610777153091	  -4.287183532794
H 	  -2.240624442858	  -3.417964998258	  -4.715349153890
H 	  -2.049684932680	  -3.740150211383	  -2.249432295102
H 	   2.139313455517	  -2.581403601498	  -2.436609440931
H 	   1.928668171170	  -2.330893382039	  -4.886255025104
O 	   0.589094923206	  -4.331815319106	  -1.017226891757
S 	  -0.325375675499	  -5.071577520320	  -0.058699751982
O 	   0.373515433655	  -5.469731437501	   1.150169301049
O 	  -1.655240308722	  -4.488530353277	   0.073042819089
C 	  -0.609634032824	  -6.651249006825	  -0.983287501108
F 	  -1.176428852794	  -6.410802441407	  -2.159139262615
F 	   0.536633159972	  -7.284735860394	  -1.188423492584
F 	  -1.412475497902	  -7.442492092584	  -0.282281598723
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.4, θ = 140), G = -5220.626069269064
Pd	  -1.044842708217	  -1.610771523315	  -1.231610837073
P 	  -2.966843914125	  -0.057966517918	  -1.192210148924
Cl	  -2.545133317681	   1.210659280995	  -2.005351755240
Cl	  -4.158472149893	  -0.786857401725	  -1.896495849124
Cl	  -3.377592215603	   0.349552259328	   0.262040727425
P 	   0.193327138208	  -0.725097648743	   0.622316794625
Cl	   1.639606570564	  -1.315811940619	   0.671264394247
Cl	  -0.594500274096	  -1.063915128822	   1.930239838610
Cl	   0.250453429742	   0.825027059942	   0.413598399950
C 	  -0.173904078440	  -2.852319948517	  -4.908089489725
Cl	  -0.259125087988	  -2.726132953752	  -6.657152245116
C 	  -1.290630507878	  -3.189706752913	  -4.182601140787
C 	  -1.217494635633	  -3.252768624041	  -2.764207340688
C 	   0.034995724124	  -3.003599597014	  -2.114215840038
C 	   1.190462505252	  -2.737699016275	  -2.908156916778
C 	   1.073068963743	  -2.622716081249	  -4.271838759630
H 	  -2.226422508948	  -3.436502059640	  -4.688745965813
H 	  -2.028578066951	  -3.746425364778	  -2.221992562849
H 	   2.158420801226	  -2.587279500404	  -2.425229749478
H 	   1.940892816670	  -2.346013812136	  -4.874576311641
O 	   0.608612777474	  -4.344764363384	  -1.002834097589
S 	  -0.308622028390	  -5.097807985610	  -0.058356274975
O 	   0.399917589379	  -5.561790007716	   1.121100643829
O 	  -1.620467352504	  -4.486153250740	   0.118722276190
C 	  -0.654790490898	  -6.636911256834	  -1.030919243294
F 	  -1.247340971416	  -6.346439436683	  -2.182434359602
F 	   0.470264890865	  -7.289466447727	  -1.288674680211
F 	  -1.456951389666	  -7.433322059126	  -0.334474247110
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.4, θ = 150), G = -5220.624396812445
Pd	  -1.037589336074	  -1.606108301999	  -1.220685704058
P 	  -2.980217332341	  -0.064377271576	  -1.184542898570
Cl	  -2.569702826219	   1.210995670303	  -1.992770375160
Cl	  -4.169589839682	  -0.799558228099	  -1.885724015958
Cl	  -3.386606863017	   0.334929067163	   0.273345744259
P 	   0.208135250313	  -0.685162576754	   0.622053178771
Cl	   1.661730856407	  -1.256716340007	   0.674443819544
Cl	  -0.572314168522	  -1.002917795525	   1.939587370744
Cl	   0.244722809299	   0.860991134483	   0.380515304825
C 	  -0.164358991506	  -2.867625762716	  -4.896974941579
Cl	  -0.247070276947	  -2.755432198412	  -6.646990772549
C 	  -1.282841368515	  -3.195305157852	  -4.169922182926
C 	  -1.211135774087	  -3.248948921642	  -2.750984057290
C 	   0.041855678525	  -3.001547670226	  -2.102091456128
C 	   1.198955922038	  -2.746721627627	  -2.897052163427
C 	   1.083046302422	  -2.639414594003	  -4.261464784942
H 	  -2.218088896426	  -3.445088028710	  -4.675422299432
H 	  -2.023538865367	  -3.738747191216	  -2.207587821372
H 	   2.168058112380	  -2.600400979950	  -2.415745732417
H 	   1.952747696734	  -2.371412688054	  -4.865418410420
O 	   0.607444876592	  -4.347536236291	  -0.987083728819
S 	  -0.320581989202	  -5.113774884175	  -0.064674020790
O 	   0.376156114117	  -5.605323336685	   1.110541216383
O 	  -1.630300652341	  -4.498166702380	   0.114566986034
C 	  -0.667753698741	  -6.635410851761	  -1.064749540422
F 	  -1.255883864517	  -6.326787060856	  -2.213748547890
F 	   0.456848658703	  -7.286390657454	  -1.328841086005
F 	  -1.473816025123	  -7.441040887404	  -0.383463821188
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.4, θ = 160), G = -5220.621920095304
Pd	  -1.042697385638	  -1.549613385625	  -1.197489940422
P 	  -2.991283533134	   0.005170976471	  -1.162391469510
Cl	  -2.582243542416	   1.288519128282	  -1.958628732819
Cl	  -4.189008908531	  -0.718821358156	  -1.860603728328
Cl	  -3.381592845034	   0.389367790512	   0.304063419148
P 	   0.259078962045	  -0.581140812776	   0.598541549945
Cl	   1.717348805671	  -1.142050623814	   0.621784303973
Cl	  -0.479864261196	  -0.861660031200	   1.948147351348
Cl	   0.276029761366	   0.957324654773	   0.309841962565
C 	  -0.184873030052	  -2.947088321951	  -4.843174384846
Cl	  -0.256684856354	  -2.895418613723	  -6.596165710857
C 	  -1.315327073299	  -3.213854917649	  -4.110216799661
C 	  -1.250749288019	  -3.222293389976	  -2.689766117722
C 	   0.006380697723	  -2.989324561797	  -2.045184242282
C 	   1.174427596137	  -2.804187952729	  -2.842448871079
C 	   1.067277583398	  -2.740506052129	  -4.210208249160
H 	  -2.255207965958	  -3.455179020918	  -4.610985613117
H 	  -2.074246599818	  -3.680282411923	  -2.136107872545
H 	   2.147175378433	  -2.678930707567	  -2.363588183864
H 	   1.948427465415	  -2.526282661724	  -4.818870127289
O 	   0.533623425997	  -4.290054969959	  -0.853236486475
S 	  -0.429141145670	  -5.172064506494	  -0.082778411974
O 	   0.174463269025	  -5.690439248774	   1.131624714196
O 	  -1.789953029572	  -4.654900001533	  -0.009119522293
C 	  -0.548864662931	  -6.646345992264	  -1.200233479049
F 	  -1.026138287200	  -6.304508024851	  -2.390523136118
F 	   0.644695465481	  -7.199166657449	  -1.367605032068
F 	  -1.362740486969	  -7.549268404471	  -0.665561930479
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.4, θ = 170), G = -5220.617370237881
Pd	  -1.027561213043	  -1.527233470346	  -1.178422390626
P 	  -3.017826113671	  -0.003193627041	  -1.164362809481
Cl	  -2.629552267313	   1.295521981053	  -1.945866575028
Cl	  -4.202839151726	  -0.741977226048	  -1.868154228718
Cl	  -3.410953012135	   0.359284147561	   0.307008914264
P 	   0.286678733585	  -0.498185433894	   0.596840152057
Cl	   1.751416200037	  -1.041683221386	   0.620502710239
Cl	  -0.437326972862	  -0.747562533057	   1.960559094288
Cl	   0.281004025289	   1.031315266615	   0.263307181166
C 	  -0.177998069767	  -2.981413845495	  -4.810130321308
Cl	  -0.249581338001	  -2.963927482874	  -6.563642369335
C 	  -1.310474244861	  -3.220726058178	  -4.071548043996
C 	  -1.244175470095	  -3.206343144187	  -2.650598396811
C 	   0.017311690420	  -2.981669142141	  -2.013067569617
C 	   1.186768242914	  -2.829124771548	  -2.814414033333
C 	   1.078216406354	  -2.783581604787	  -4.182575535616
H 	  -2.251642583284	  -3.465434817089	  -4.567675709656
H 	  -2.066724618475	  -3.657735995966	  -2.090238662391
H 	   2.162928131842	  -2.717849760982	  -2.340312723498
H 	   1.961662125326	  -2.594560371980	  -4.796136063669
O 	   0.525826414772	  -4.292575956997	  -0.811924849668
S 	  -0.444411816736	  -5.209035526550	  -0.094770166184
O 	   0.146589889688	  -5.786886646784	   1.098805178753
O 	  -1.804976877486	  -4.692624312796	  -0.008164663680
C 	  -0.560241380759	  -6.633581231775	  -1.276563416165
F 	  -1.030905315034	  -6.244562384580	  -2.454800604049
F 	   0.634107716472	  -7.179932724003	  -1.460628591494
F 	  -1.377007622533	  -7.557720184152	  -0.783910247237
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.4, θ = 180), G = -5220.610956954036
Pd	  -1.031185921577	  -1.412601102528	  -1.145145861030
P 	  -3.010880828559	   0.153896023874	  -1.200511825902
Cl	  -2.593397452854	   1.444468137766	  -1.980476718912
Cl	  -4.200307460459	  -0.569740454288	  -1.911921989781
Cl	  -3.407999559584	   0.527826897376	   0.267041142289
P 	   0.341234865399	  -0.352222987335	   0.596028201878
Cl	   1.799415336170	  -0.913320142010	   0.600937904769
Cl	  -0.360303352876	  -0.566311633639	   1.977395254194
Cl	   0.344901250381	   1.170055253185	   0.231032056685
C 	  -0.254164097691	  -3.143544464944	  -4.686335870183
Cl	  -0.322487386556	  -3.247794925534	  -6.436541227093
C 	  -1.401315667650	  -3.245345378582	  -3.939740348635
C 	  -1.335478433447	  -3.143309379922	  -2.521684128673
C 	  -0.061287856406	  -2.963844716713	  -1.898591923875
C 	   1.117348592985	  -2.964209086380	  -2.698569126924
C 	   1.013621293522	  -3.004932995142	  -4.067107330206
H 	  -2.354793640580	  -3.462291648952	  -4.424028043517
H 	  -2.177343275318	  -3.529031757117	  -1.940996140960
H 	   2.098622619328	  -2.903448113922	  -2.227665414516
H 	   1.909810063196	  -2.935257289923	  -4.687265439877
O 	   0.349382196116	  -4.207170181980	  -0.569561986729
S 	  -0.561233671651	  -5.342686309121	  -0.153276277633
O 	  -0.051592294059	  -6.028994548986	   1.020739105457
O 	  -1.981057816547	  -5.015687388856	  -0.193278019906
C 	  -0.316332564264	  -6.569182458683	  -1.524994392455
F 	  -0.756369414508	  -6.099096460687	  -2.685010955050
F 	   0.971156764996	  -6.863375771878	  -1.653966312396
F 	  -0.979650778593	  -7.685847194485	  -1.247389071842
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.4, θ = 190), G = -5220.601530241755
Pd	  -1.029550004484	  -1.348380048484	  -1.115445019076
P 	  -3.016592588666	   0.248748602673	  -1.246206888502
Cl	  -2.576036123417	   1.529859279075	  -2.029105388506
Cl	  -4.206523606486	  -0.469571214603	  -1.961342937768
Cl	  -3.418698654272	   0.639193767561	   0.215857385744
P 	   0.407885830849	  -0.258619140741	   0.602505574933
Cl	   1.864148975054	  -0.823783708050	   0.578245491405
Cl	  -0.264551361135	  -0.454729112110	   2.000830059143
Cl	   0.402654235020	   1.258310423740	   0.216112934820
C 	  -0.311537653467	  -3.235635194414	  -4.594995611846
Cl	  -0.378852528740	  -3.409361059716	  -6.339230406470
C 	  -1.464887399625	  -3.255409766276	  -3.850857628172
C 	  -1.399686768829	  -3.106611387485	  -2.437216598717
C 	  -0.121143051459	  -2.960982357229	  -1.819421847322
C 	   1.058902541373	  -3.058008106079	  -2.607802228801
C 	   0.958714331450	  -3.142964592175	  -3.975295529651
H 	  -2.422312576121	  -3.457528041643	  -4.332100526576
H 	  -2.253953277998	  -3.449132015332	  -1.847660179728
H 	   2.039247753860	  -3.040179265763	  -2.133776436288
H 	   1.859579656693	  -3.146996196084	  -4.592564601791
O 	   0.190333983899	  -4.193909107250	  -0.422450483937
S 	  -0.630525360608	  -5.448060921095	  -0.216038123756
O 	  -0.157633798792	  -6.211209591061	   0.926435736406
O 	  -2.067536883840	  -5.249112962132	  -0.357643573291
C 	  -0.156687920616	  -6.501237557388	  -1.672360726328
F 	  -0.626429147745	  -6.011335314229	  -2.811168253485
F 	   1.164215365972	  -6.593996589416	  -1.769091797941
F 	  -0.654232458944	  -7.722358903687	  -1.509097135262
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.4, θ = 200), G = -5220.587098725033
Pd	  -1.010557020307	  -1.336697777467	  -1.094743707670
P 	  -3.115077029157	   0.196166258792	  -1.214105251888
Cl	  -2.855631067385	   1.329509377241	  -2.260720527165
Cl	  -4.365375769804	  -0.663529928951	  -1.588033064875
Cl	  -3.304803880816	   0.832878632932	   0.204463315540
P 	   0.495115036300	  -0.221619203742	   0.621851146591
Cl	   1.950712994349	  -0.786730372228	   0.579407803050
Cl	  -0.156344884264	  -0.396260657066	   2.032864662933
Cl	   0.474664117241	   1.287757186093	   0.207776175314
C 	  -0.254024478866	  -3.228689632674	  -4.590689438384
Cl	  -0.296860963532	  -3.417999169895	  -6.333491394574
C 	  -1.418589223369	  -3.227739974867	  -3.863622309687
C 	  -1.374446272702	  -3.077613671559	  -2.450088478663
C 	  -0.105015189399	  -2.942991610023	  -1.817785389090
C 	   1.084955198430	  -3.069223164845	  -2.582989291180
C 	   1.006579366026	  -3.158095933660	  -3.952107278344
H 	  -2.368082641691	  -3.428984967324	  -4.358678032227
H 	  -2.236114165445	  -3.420741422605	  -1.872480395626
H 	   2.055556499480	  -3.079199933766	  -2.092172198022
H 	   1.916718826787	  -3.187811511942	  -4.554487366059
O 	   0.154375551847	  -4.200199593139	  -0.413688511331
S 	  -0.684584557656	  -5.447561975717	  -0.248402490891
O 	  -0.245204764386	  -6.239926536112	   0.887617028373
O 	  -2.116265383600	  -5.228221325276	  -0.413817154953
C 	  -0.200706790903	  -6.485888705131	  -1.713569560282
F 	  -0.673740162037	  -5.992837543726	  -2.849570823701
F 	   1.120831747428	  -6.569206582660	  -1.810945559865
F 	  -0.689773583675	  -7.711540340087	  -1.558676648132
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.4, θ = 210), G = -5220.567708871979
Pd	  -0.984826414457	  -1.317908193870	  -1.072562247218
P 	  -3.242694090434	   0.138221673878	  -1.194830124080
Cl	  -3.028201174953	   1.297241749464	  -2.223478202834
Cl	  -4.468319867077	  -0.756507770805	  -1.566448857031
Cl	  -3.430558438929	   0.748521887294	   0.235787653861
P 	   0.629847921660	  -0.173113289272	   0.618667499675
Cl	   2.083593951000	  -0.738221009830	   0.540829327837
Cl	   0.018417953200	  -0.321674984229	   2.050493994453
Cl	   0.585345457465	   1.327298276360	   0.175205038087
C 	  -0.210513809457	  -3.237874575999	  -4.579901778524
Cl	  -0.232755909672	  -3.451741523818	  -6.319494820961
C 	  -1.385244270112	  -3.204225661244	  -3.868768974517
C 	  -1.358868642642	  -3.046653175584	  -2.457270220031
C 	  -0.098417694623	  -2.924225510137	  -1.814161614043
C 	   1.098482991837	  -3.091597551938	  -2.554342357850
C 	   1.040055444100	  -3.194450712845	  -3.924296396130
H 	  -2.328500408891	  -3.398992343118	  -4.375521896648
H 	  -2.230945452448	  -3.372967537226	  -1.886663777802
H 	   2.056987068429	  -3.133666101970	  -2.045612403084
H 	   1.957098969629	  -3.263345963809	  -4.512062359777
O 	   0.105306050185	  -4.193610375375	  -0.390734669573
S 	  -0.740697423467	  -5.440684295162	  -0.272212879212
O 	  -0.335238114743	  -6.257311096760	   0.859276189397
O 	  -2.166786976846	  -5.212434822751	  -0.470715389570
C 	  -0.230380916669	  -6.461687625308	  -1.742502910260
F 	  -0.706814859483	  -5.971807992581	  -2.878359653396
F 	   1.092781808741	  -6.523553924649	  -1.835158198075
F 	  -0.699841642423	  -7.696027628115	  -1.596044713510
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.5, θ = 120), G = -5221.243891520191
Pd	  -1.082011877091	  -1.623268738430	  -1.261679914636
P 	  -2.954162426723	  -0.063339698376	  -1.154978972405
Cl	  -2.534485358749	   1.271284013118	  -1.978447905719
Cl	  -4.232073762409	  -0.753724646558	  -1.879597508026
Cl	  -3.382506273336	   0.361845039059	   0.352224915848
P 	   0.193002929552	  -0.867376936329	   0.590487838541
Cl	   1.661466107025	  -1.554359718272	   0.638893033314
Cl	  -0.605215518309	  -1.207475696064	   1.961697667433
Cl	   0.367537134198	   0.741815597166	   0.464010917641
C 	  -0.173064018849	  -2.830257341775	  -4.969600160840
Cl	  -0.240387833977	  -2.700047748825	  -6.717346764512
C 	  -1.297536496224	  -3.179632410520	  -4.259075732887
C 	  -1.237155548919	  -3.251282727362	  -2.842489566351
C 	  -0.001160969684	  -2.978184886483	  -2.186027150827
C 	   1.163231264614	  -2.699787138935	  -2.952055673263
C 	   1.062333259993	  -2.590017437605	  -4.319305421499
H 	  -2.226404868982	  -3.429455140433	  -4.776011929465
H 	  -2.054762227885	  -3.737583738628	  -2.302787399823
H 	   2.119311420903	  -2.529825899677	  -2.452502927111
H 	   1.934968529156	  -2.304266962475	  -4.910520887643
O 	   0.583371610027	  -4.317251626374	  -1.011560519262
S 	  -0.344917352663	  -5.025935428676	  -0.048976902274
O 	   0.317925293211	  -5.368615029880	   1.197295247866
O 	  -1.684617050334	  -4.450946789977	   0.023192926725
C 	  -0.592121414121	  -6.643425764200	  -0.915918843637
F 	  -1.136741551270	  -6.452613374045	  -2.111898047913
F 	   0.565184777170	  -7.270599091522	  -1.074169721100
F 	  -1.400696267399	  -7.418670757351	  -0.203735338987
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.5, θ = 130), G = -5221.243413718269
Pd	  -1.066883291353	  -1.613745260763	  -1.243983307514
P 	  -2.952956442427	  -0.063250454421	  -1.164389035288
Cl	  -2.545392456564	   1.256837074616	  -2.016753835001
Cl	  -4.228734121002	  -0.778506956782	  -1.868115312665
Cl	  -3.377988525050	   0.391400481028	   0.335197415893
P 	   0.194033683147	  -0.804652512387	   0.598135986494
Cl	   1.676040469700	  -1.459527162069	   0.668968221591
Cl	  -0.605476164574	  -1.124262014376	   1.973518934663
Cl	   0.336277737313	   0.804350976292	   0.432806545290
C 	  -0.176533496576	  -2.856148033824	  -4.941828522356
Cl	  -0.252856800691	  -2.741635349974	  -6.690254506728
C 	  -1.298426105751	  -3.193062736908	  -4.221800136443
C 	  -1.230323956098	  -3.251145866777	  -2.804503995557
C 	   0.011299296483	  -2.979138872036	  -2.157811634108
C 	   1.172824377612	  -2.716275764072	  -2.933480863485
C 	   1.064223016140	  -2.617661407602	  -4.300924864592
H 	  -2.230755069387	  -3.445325791791	  -4.731204620717
H 	  -2.045095595018	  -3.734195942331	  -2.257582722963
H 	   2.133795848828	  -2.549993120823	  -2.442628771288
H 	   1.935018370439	  -2.342701130915	  -4.899905548739
O 	   0.597794162978	  -4.317955495387	  -0.973461830221
S 	  -0.339185898104	  -5.061900196914	  -0.047704071769
O 	   0.318401860054	  -5.472286265145	   1.180755384747
O 	  -1.672911344796	  -4.477009791386	   0.050964484299
C 	  -0.604686001736	  -6.635699476181	  -0.987248087140
F 	  -1.143583772594	  -6.387736594741	  -2.175543475135
F 	   0.545290661799	  -7.270233631134	  -1.170486902399
F 	  -1.424898933870	  -7.431538782614	  -0.311619669657
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.5, θ = 140), G = -5221.242239235730
Pd	  -1.054447700664	  -1.613275850078	  -1.231123506855
P 	  -2.961548971556	  -0.078972150711	  -1.160748413067
Cl	  -2.568039268468	   1.246056908756	  -2.012013148683
Cl	  -4.230116887401	  -0.808510645745	  -1.862568002741
Cl	  -3.389301795007	   0.371570841698	   0.339401361918
P 	   0.203992064361	  -0.754367689823	   0.596802231750
Cl	   1.703160345252	  -1.367840575120	   0.672372569158
Cl	  -0.583127455608	  -1.063269499598	   1.981695231040
Cl	   0.303070646640	   0.854191196066	   0.397597815975
C 	  -0.167440901054	  -2.866816028135	  -4.927636573552
Cl	  -0.245466046184	  -2.760113810951	  -6.676452831102
C 	  -1.289506552375	  -3.196004718376	  -4.204610832025
C 	  -1.219335817165	  -3.248687307049	  -2.786950692454
C 	   0.024795489408	  -2.980656863161	  -2.143694363857
C 	   1.186345134504	  -2.727332389948	  -2.922255648936
C 	   1.075621532727	  -2.632071176313	  -4.289728535845
H 	  -2.222738254331	  -3.449058278467	  -4.711866286186
H 	  -2.033586231006	  -3.730226338465	  -2.238097867359
H 	   2.149523164041	  -2.566144164382	  -2.434407581558
H 	   1.946661316480	  -2.363562978791	  -4.891291250989
O 	   0.604478781171	  -4.331775226082	  -0.962678601054
S 	  -0.339362523787	  -5.084207273677	  -0.051634865787
O 	   0.316106051992	  -5.534072891000	   1.164091929430
O 	  -1.664516734776	  -4.483142474071	   0.065587813065
C 	  -0.631994054979	  -6.634272403245	  -1.023117365771
F 	  -1.176033743430	  -6.357277862408	  -2.202437802854
F 	   0.508504031474	  -7.279665234376	  -1.227515060553
F 	  -1.457384111352	  -7.433495195958	  -0.357604461938
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.5, θ = 150), G = -5221.240869852560
Pd	  -1.059828343283	  -1.566218460194	  -1.213364670560
P 	  -2.959628965504	  -0.008628817271	  -1.151946778803
Cl	  -2.549874674311	   1.318480224147	  -1.992236762810
Cl	  -4.238399016898	  -0.716994330504	  -1.856605414027
Cl	  -3.378369356111	   0.435951447575	   0.352642684191
P 	   0.231709350453	  -0.677912742091	   0.589252892443
Cl	   1.735426643838	  -1.280751725467	   0.654188214908
Cl	  -0.536106837190	  -0.958966068532	   1.990863239166
Cl	   0.317141554586	   0.926850995714	   0.354837317215
C 	  -0.190520193425	  -2.940509982085	  -4.882872057724
Cl	  -0.262085643847	  -2.889479948139	  -6.634275484591
C 	  -1.320808926701	  -3.220520274128	  -4.152443937584
C 	  -1.254301452211	  -3.231318210438	  -2.733546047917
C 	  -0.005597761880	  -2.972515052963	  -2.096263173973
C 	   1.162892618665	  -2.771667651444	  -2.879563096561
C 	   1.056681612496	  -2.716295828909	  -4.249494906335
H 	  -2.258216713729	  -3.470487573224	  -4.653401942753
H 	  -2.076501233274	  -3.685822680737	  -2.174078315604
H 	   2.129663646038	  -2.621210292558	  -2.396028150202
H 	   1.935302019645	  -2.489386275787	  -4.857026377730
O 	   0.547339822270	  -4.277175363625	  -0.852444931322
S 	  -0.418343316811	  -5.134070293904	  -0.064118947432
O 	   0.168388398143	  -5.617315534457	   1.173614260377
O 	  -1.781541631926	  -4.616108252157	  -0.019559443430
C 	  -0.528834095106	  -6.638868373564	  -1.139939639262
F 	  -0.985959105087	  -6.325818605415	  -2.346636460402
F 	   0.664146577720	  -7.202099883925	  -1.275086451571
F 	  -1.355463467634	  -7.524140525336	  -0.595350358501
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.5, θ = 160), G = -5221.238015982754
Pd	  -1.045872653463	  -1.551304518938	  -1.198116239039
P 	  -2.985636776298	  -0.026687190446	  -1.138015556908
Cl	  -2.597527490393	   1.335777723687	  -1.930677626583
Cl	  -4.243097562203	  -0.740146805194	  -1.874745629594
Cl	  -3.422823069168	   0.360601281950	   0.377270941679
P 	   0.265634821840	  -0.603160877600	   0.576614445029
Cl	   1.779939282973	  -1.179167339399	   0.635589851738
Cl	  -0.478471871629	  -0.852754337748	   1.996869886544
Cl	   0.319708532035	   0.995130946943	   0.293238926115
C 	  -0.179974836827	  -2.964389704139	  -4.860733101737
Cl	  -0.249693827912	  -2.935613199300	  -6.612583437815
C 	  -1.313513455695	  -3.221438934743	  -4.127316886152
C 	  -1.247131716697	  -3.217467406256	  -2.708009658217
C 	   0.004904640916	  -2.967367705891	  -2.074898405830
C 	   1.176456915952	  -2.795577149865	  -2.859759876288
C 	   1.070632230494	  -2.752188129635	  -4.230042044588
H 	  -2.252315202077	  -3.470201321950	  -4.625945090101
H 	  -2.069481918171	  -3.666815061126	  -2.144766034472
H 	   2.146307965591	  -2.659252981563	  -2.379203227691
H 	   1.952651841890	  -2.546596075790	  -4.840166371930
O 	   0.534299472075	  -4.280298165624	  -0.820526623578
S 	  -0.444700691967	  -5.159092662974	  -0.075082418411
O 	   0.119712075484	  -5.680439561587	   1.157562335743
O 	  -1.808093146494	  -4.640644924497	  -0.037862788288
C 	  -0.540982704853	  -6.634582138778	  -1.192767636215
F 	  -0.978557922821	  -6.290405845193	  -2.398316149347
F 	   0.653217767010	  -7.196500275752	  -1.323908787783
F 	  -1.377279190678	  -7.532417717989	  -0.684587537052
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.5, θ = 170), G = -5221.233149024643
Pd	  -1.045563818037	  -1.460613303741	  -1.166118069586
P 	  -2.976103582388	   0.099630068664	  -1.177769072688
Cl	  -2.537517300782	   1.480851149589	  -1.909247328604
Cl	  -4.213867116734	  -0.570801098119	  -1.984473107155
Cl	  -3.462013269512	   0.444485432209	   0.332999386366
P 	   0.292767319574	  -0.469598628138	   0.586704074201
Cl	   1.785450968565	  -1.093786030967	   0.688762471021
Cl	  -0.473744459474	  -0.626925220024	   2.008377094685
Cl	   0.402555231035	   1.111152760712	   0.230563286536
C 	  -0.254919424744	  -3.097417349556	  -4.757790319385
Cl	  -0.334520102920	  -3.172469473522	  -6.507589485120
C 	  -1.394304651824	  -3.249558905470	  -4.005902435788
C 	  -1.316542252902	  -3.171792812070	  -2.588228129619
C 	  -0.047474975931	  -2.954974516722	  -1.978180888072
C 	   1.125544260959	  -2.894922436061	  -2.776681990945
C 	   1.010947469607	  -2.921635412029	  -4.146261035250
H 	  -2.346610388345	  -3.482989077926	  -4.485342084114
H 	  -2.147460555932	  -3.572438119241	  -2.000884645028
H 	   2.105847123056	  -2.792215041863	  -2.310468558626
H 	   1.898293983905	  -2.805051591919	  -4.771833216669
O 	   0.430570545173	  -4.213873053730	  -0.636463472789
S 	  -0.510095487846	  -5.275059021221	  -0.113094592767
O 	  -0.001318499722	  -5.901961758492	   1.094270541926
O 	  -1.917677938978	  -4.893280229103	  -0.142902189835
C 	  -0.350185061063	  -6.595163708304	  -1.406420534197
F 	  -0.703836145543	  -6.144232905261	  -2.603784338972
F 	   0.903047200866	  -7.025266776474	  -1.474986773625
F 	  -1.132957560512	  -7.623093020061	  -1.098139325610
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.5, θ = 180), G = -5221.226991309201
Pd	  -1.045646053129	  -1.362095177404	  -1.129759154882
P 	  -2.946115390690	   0.264425954468	  -1.258867637091
Cl	  -2.405338479794	   1.714545690238	  -1.749494324949
Cl	  -4.071279872578	  -0.271546082484	  -2.296961228236
Cl	  -3.615265548533	   0.435031588866	   0.210877205029
P 	   0.337794083579	  -0.344452114858	   0.597787169976
Cl	   1.730942644467	  -1.129627374649	   0.862454263472
Cl	  -0.515629642522	  -0.252960510180	   1.975254443934
Cl	   0.657285159600	   1.163485397435	   0.087196945723
C 	  -0.375878751441	  -3.248155621293	  -4.621093222183
Cl	  -0.475211914927	  -3.427940927969	  -6.361891639044
C 	  -1.515568610806	  -3.287466071137	  -3.855594157047
C 	  -1.420926862229	  -3.131735291911	  -2.445203110636
C 	  -0.136168637552	  -2.952669294479	  -1.860491335935
C 	   1.031915353051	  -3.018189721760	  -2.663333482041
C 	   0.903722650299	  -3.118350793090	  -4.028745049730
H 	  -2.480683667543	  -3.504125635880	  -4.315626827508
H 	  -2.260646939681	  -3.470750078198	  -1.831787678660
H 	   2.020106532427	  -2.954266888070	  -2.208651764740
H 	   1.790825281852	  -3.098058018600	  -4.665279373592
O 	   0.247520739242	  -4.179560369028	  -0.425712126035
S 	  -0.560366865623	  -5.432060718093	  -0.183711316556
O 	  -0.070975489653	  -6.175216752690	   0.965509579533
O 	  -2.001139596812	  -5.245398446656	  -0.311567616334
C 	  -0.095935347305	  -6.502810289138	  -1.629209916448
F 	  -0.559321670769	  -6.016292717661	  -2.773277078616
F 	   1.224421708780	  -6.608050395824	  -1.724424882510
F 	  -0.604123302796	  -7.718709419397	  -1.459281425675
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.5, θ = 190), G = -5221.216595393612
Pd	  -1.021543894099	  -1.343770607267	  -1.120573714337
P 	  -3.004344324749	   0.232250841095	  -1.251312604779
Cl	  -2.514075053143	   1.700181597499	  -1.742468002638
Cl	  -4.131086536262	  -0.334209566296	  -2.270750184073
Cl	  -3.646413488182	   0.379078820150	   0.233186051486
P 	   0.415466332703	  -0.282552357214	   0.585231230221
Cl	   1.910450625546	  -0.905356652728	   0.652068677888
Cl	  -0.306377214242	  -0.390857911052	   2.034419193823
Cl	   0.508975701913	   1.284589798913	   0.169451419416
C 	  -0.340781150858	  -3.260554326749	  -4.608623267582
Cl	  -0.429844625678	  -3.462770847092	  -6.347086340101
C 	  -1.486480142746	  -3.273717994886	  -3.850984093447
C 	  -1.400670714349	  -3.108125930857	  -2.441380988518
C 	  -0.118423683428	  -2.940982978989	  -1.852368773172
C 	   1.054252734333	  -3.042517267118	  -2.641767086267
C 	   0.935707779879	  -3.151699755762	  -4.007728119918
H 	  -2.448419963672	  -3.490061330728	  -4.316222899897
H 	  -2.243706700327	  -3.443815102380	  -1.830968963224
H 	   2.039374158845	  -3.003717393414	  -2.180104127229
H 	   1.828210423428	  -3.158703737697	  -4.636833215688
O 	   0.212971459817	  -4.190396540638	  -0.405550110442
S 	  -0.613243499236	  -5.436317367416	  -0.197942869431
O 	  -0.155422230440	  -6.205119863630	   0.947566750916
O 	  -2.049587999726	  -5.230733822210	  -0.348253175848
C 	  -0.140149602872	  -6.496063516260	  -1.649478962631
F 	  -0.596829547523	  -6.002124506164	  -2.792888865016
F 	   1.180633624621	  -6.602193663719	  -1.738635743757
F 	  -0.650330960613	  -7.712738096807	  -1.490885956571
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.5, θ = 200), G = -5221.202435306715
Pd	  -0.998394547236	  -1.327880455931	  -1.111704883233
P 	  -3.113671271615	   0.158790692098	  -1.201030398909
Cl	  -2.686902510895	   1.690874878229	  -1.530548791001
Cl	  -4.179365809591	  -0.357223791654	  -2.308516930189
Cl	  -3.793612528956	   0.129424209876	   0.273343585984
P 	   0.530787482472	  -0.209533715071	   0.548705990817
Cl	   2.039218153305	  -0.802123624740	   0.554259835324
Cl	  -0.121379998443	  -0.303621439646	   2.031550669428
Cl	   0.564041942977	   1.349722464099	   0.096190768058
C 	  -0.288526556362	  -3.268679828797	  -4.608127641428
Cl	  -0.358562615258	  -3.491128193458	  -6.344387824810
C 	  -1.444212112922	  -3.251141979698	  -3.865270126511
C 	  -1.374852852652	  -3.078468148105	  -2.456266873241
C 	  -0.099115020938	  -2.922289978093	  -1.857349806052
C 	   1.081047263732	  -3.068331889100	  -2.623872603905
C 	   0.980604653437	  -3.188841425760	  -3.990792896903
H 	  -2.400543028156	  -3.462020110908	  -4.342306476949
H 	  -2.225300434610	  -3.407921557074	  -1.853380866943
H 	   2.057754469215	  -3.063511111642	  -2.146511531855
H 	   1.881347353630	  -3.232528987491	  -4.606118406250
O 	   0.174899180687	  -4.186862969216	  -0.389142044406
S 	  -0.672800706894	  -5.421407828493	  -0.209570299875
O 	  -0.252323955221	  -6.208840883616	   0.937781981150
O 	  -2.102821961050	  -5.193222644922	  -0.387404230194
C 	  -0.191765659443	  -6.481221172518	  -1.659363014655
F 	  -0.637861659643	  -5.985497459430	  -2.806137039285
F 	   1.129156866573	  -6.593669882951	  -1.739418256122
F 	  -0.708532627221	  -7.695843245392	  -1.505496628829
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.5, θ = 210), G = -5221.182918887465
Pd	  -0.963778480399	  -1.309723416561	  -1.088702857788
P 	  -3.248748926519	   0.094824752384	  -1.171720164899
Cl	  -2.877105327824	   1.644013682786	  -1.489758793647
Cl	  -4.313332939890	  -0.444822054446	  -2.268465185736
Cl	  -3.895973725749	   0.031691600622	   0.316242779960
P 	   0.663808077181	  -0.157053705774	   0.541459604801
Cl	   2.182552846740	  -0.719193200448	   0.483990675031
Cl	   0.073208373033	  -0.256494745897	   2.049520320913
Cl	   0.638138383622	   1.399356526276	   0.078886097361
C 	  -0.230926513305	  -3.281227594126	  -4.601315262562
Cl	  -0.274787121343	  -3.529299398509	  -6.334334555878
C 	  -1.399596874533	  -3.225603902472	  -3.879334894407
C 	  -1.352651786402	  -3.044944291640	  -2.472478314731
C 	  -0.087730343303	  -2.902758861346	  -1.857223666940
C 	   1.101640659506	  -3.093710400529	  -2.593546596849
C 	   1.025873782018	  -3.231602974585	  -3.961352698337
H 	  -2.349072753017	  -3.425211488850	  -4.372044748426
H 	  -2.218095890154	  -3.350966331225	  -1.879710421965
H 	   2.064786809889	  -3.122123134454	  -2.093775413338
H 	   1.935921965617	  -3.319269965596	  -4.557222592110
O 	   0.123036855600	  -4.178259125200	  -0.368804033182
S 	  -0.737395234767	  -5.408696060550	  -0.233425739936
O 	  -0.356250510659	  -6.218556294053	   0.912106530139
O 	  -2.159997720489	  -5.165898631739	  -0.447437241897
C 	  -0.232298267689	  -6.457690010461	  -1.684733537405
F 	  -0.678673512818	  -5.966638992310	  -2.833217280079
F 	   1.090370395124	  -6.554093589209	  -1.758552958999
F 	  -0.734610710562	  -7.679048471512	  -1.535933789870
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.6, θ = 120), G = -5221.695097741348
Pd	  -1.082187207546	  -1.626485561293	  -1.255648353529
P 	  -2.967142605792	  -0.104894796517	  -1.122118411303
Cl	  -2.742915591076	   1.129421722976	  -2.251523890893
Cl	  -4.377814949175	  -0.934433377541	  -1.535314178193
Cl	  -3.238274552993	   0.624006985526	   0.376325697357
P 	   0.203169517532	  -0.898002620306	   0.577616341076
Cl	   1.722886704705	  -1.622566618130	   0.676845908871
Cl	  -0.609605546206	  -1.194652408535	   2.026268722051
Cl	   0.438947776319	   0.769031196791	   0.453412532349
C 	  -0.134395086314	  -2.831978708389	  -4.983048895977
Cl	  -0.183032814587	  -2.716694520997	  -6.730513117513
C 	  -1.268059188168	  -3.178320645842	  -4.283458188654
C 	  -1.220040770483	  -3.244161249993	  -2.867580789984
C 	   0.003133862459	  -2.953056092901	  -2.209481148142
C 	   1.177754180642	  -2.680151851218	  -2.951169969004
C 	   1.092164967261	  -2.585173150769	  -4.322336878666
H 	  -2.190089467190	  -3.435593940406	  -4.808472587441
H 	  -2.042623810778	  -3.722852988705	  -2.328017183285
H 	   2.125188906510	  -2.498986019588	  -2.440299965127
H 	   1.971255512991	  -2.303400686393	  -4.905654446751
O 	   0.583419703053	  -4.307973680517	  -0.971494764603
S 	  -0.374242552183	  -5.020455996882	  -0.047125075248
O 	   0.242338208691	  -5.383228095846	   1.217518150591
O 	  -1.713005705458	  -4.436192337929	  -0.010267308607
C 	  -0.610333480408	  -6.627577110169	  -0.935852892740
F 	  -1.119783794527	  -6.421492042869	  -2.145416267644
F 	   0.546073473263	  -7.262828882836	  -1.068757886924
F 	  -1.444474181631	  -7.404306600114	  -0.255319892870
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.6, θ = 130), G = -5221.694749710078
Pd	  -1.077067161162	  -1.627315358291	  -1.245991052300
P 	  -2.974371757387	  -0.115929062345	  -1.106456609707
Cl	  -2.699140289341	   1.194549079005	  -2.134182597671
Cl	  -4.367588832098	  -0.907231398300	  -1.636975997165
Cl	  -3.308439285181	   0.505222566402	   0.427447913375
P 	   0.220219086318	  -0.834490852413	   0.556324365222
Cl	   1.774677226047	  -1.484488790918	   0.627577453337
Cl	  -0.547551178250	  -1.148970155204	   2.025594299883
Cl	   0.374451656844	   0.840525092635	   0.410247956956
C 	  -0.129619868072	  -2.862297315783	  -4.966627417585
Cl	  -0.179817047662	  -2.762446616223	  -6.714942080389
C 	  -1.263664186835	  -3.197668280376	  -4.262544251666
C 	  -1.213884887926	  -3.251405511480	  -2.846037300964
C 	   0.011255228737	  -2.958144199552	  -2.192595407057
C 	   1.186555851084	  -2.699934724957	  -2.938092428173
C 	   1.099310557561	  -2.616451447251	  -4.309830068011
H 	  -2.186811453563	  -3.457695450698	  -4.784172863143
H 	  -2.035044097164	  -3.728079433640	  -2.302414550254
H 	   2.136191349900	  -2.520588222261	  -2.430944039553
H 	   1.979078157475	  -2.344871005806	  -4.896956228076
O 	   0.583672825834	  -4.305878147951	  -0.938176518893
S 	  -0.387378712803	  -5.038154596002	  -0.043908354973
O 	   0.215317999352	  -5.443648481319	   1.214349928981
O 	  -1.722173951544	  -4.445020211197	  -0.001605674837
C 	  -0.627548574761	  -6.618640744367	  -0.978594967070
F 	  -1.125831652460	  -6.378290633535	  -2.186491127681
F 	   0.525769668383	  -7.258006797511	  -1.119241541090
F 	  -1.472255162418	  -7.407649380083	  -0.325645582282
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.6, θ = 140), G = -5221.693664974027
Pd	  -1.073553809652	  -1.575676754342	  -1.234995927746
P 	  -2.967146940922	  -0.050449991498	  -1.103052186454
Cl	  -2.635161715581	   1.322685461191	  -2.026981482323
Cl	  -4.346238132255	  -0.784947890303	  -1.740886723518
Cl	  -3.355267509623	   0.468799194270	   0.455858204457
P 	   0.243305845873	  -0.744818990095	   0.543933995626
Cl	   1.831570756988	  -1.310989604351	   0.560267752732
Cl	  -0.468464950358	  -1.112094708676	   2.029005467133
Cl	   0.307611254886	   0.937743589547	   0.415663189416
C 	  -0.156372055746	  -2.950022653567	  -4.921843875493
Cl	  -0.206734282829	  -2.912785140716	  -6.672454423495
C 	  -1.297875097313	  -3.226328878844	  -4.204925592145
C 	  -1.245959622210	  -3.232007424201	  -2.787188081259
C 	  -0.010911130566	  -2.952183506461	  -2.146687746614
C 	   1.169937958603	  -2.757808753028	  -2.902213710469
C 	   1.081307222000	  -2.719547490087	  -4.275739204100
H 	  -2.229035482936	  -3.479969785272	  -4.715298550682
H 	  -2.074911857720	  -3.675895249654	  -2.228122748401
H 	   2.126801058673	  -2.592888587691	  -2.404430307661
H 	   1.967629723639	  -2.497144869109	  -4.873451517515
O 	   0.531501419858	  -4.245565776979	  -0.821902493093
S 	  -0.457008262663	  -5.084208086863	  -0.047269797222
O 	   0.082672490348	  -5.540091479889	   1.222226805180
O 	  -1.821886000539	  -4.564972860825	  -0.061324006741
C 	  -0.535428534653	  -6.610465049068	  -1.094684938854
F 	  -0.935652271306	  -6.316604752480	  -2.326661791725
F 	   0.657019142864	  -7.186552902492	  -1.166638157818
F 	  -1.393437707931	  -7.478207137920	  -0.571086891996
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.6, θ = 150), G = -5221.691930830630
Pd	  -1.062562196706	  -1.575854185540	  -1.218195328441
P 	  -2.978145283164	  -0.066732832601	  -1.092734397061
Cl	  -2.667768175342	   1.305398172406	  -2.025542798754
Cl	  -4.354200730906	  -0.820464734996	  -1.714032474231
Cl	  -3.357603502080	   0.457954917285	   0.466585927151
P 	   0.258021080251	  -0.696420012354	   0.544937621336
Cl	   1.848943498606	  -1.253337445982	   0.585359134533
Cl	  -0.458146978340	  -1.007952696249	   2.040618795502
Cl	   0.312928716758	   0.980568984115	   0.353315424731
C 	  -0.149476002401	  -2.954224192804	  -4.909782114196
Cl	  -0.201247719651	  -2.921746652455	  -6.660373106400
C 	  -1.291706916622	  -3.221639810759	  -4.190826668598
C 	  -1.237927097055	  -3.224754097114	  -2.772976582916
C 	  -0.000521026673	  -2.950991325592	  -2.135083040288
C 	   1.180969589667	  -2.769445956396	  -2.892190965023
C 	   1.090706458794	  -2.732397469641	  -4.265721009769
H 	  -2.223967751084	  -3.473888416729	  -4.699726735143
H 	  -2.065942463890	  -3.668917205054	  -2.212769450778
H 	   2.140602454245	  -2.614107370404	  -2.397365928691
H 	   1.978089996567	  -2.518693171039	  -4.865020351122
O 	   0.529173803843	  -4.261379632276	  -0.811507168117
S 	  -0.468609307912	  -5.106458719008	  -0.057679057585
O 	   0.057906140432	  -5.587064967308	   1.208362612019
O 	  -1.830847258757	  -4.579733829270	  -0.072974611280
C 	  -0.548488149919	  -6.617602257251	  -1.127122516512
F 	  -0.939191643108	  -6.305768456746	  -2.357866339500
F 	   0.641497711497	  -7.199003133198	  -1.199445650063
F 	  -1.414175738154	  -7.488343582478	  -0.621127961544
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.6, θ = 160), G = -5221.689461654523
Pd	  -1.049089478605	  -1.555086355620	  -1.203687069872
P 	  -2.992688264231	  -0.066698011154	  -1.090630802615
Cl	  -2.691231296885	   1.333368854251	  -1.983962488708
Cl	  -4.351232113607	  -0.824538005601	  -1.744057346892
Cl	  -3.392504240378	   0.413807651892	   0.477961749902
P 	   0.283865511564	  -0.625721274618	   0.541906069340
Cl	   1.890562776668	  -1.136397285943	   0.560831626899
Cl	  -0.401000055129	  -0.932581685021	   2.053072867072
Cl	   0.287270888695	   1.049155207701	   0.324880275451
C 	  -0.146974840809	  -2.984054900775	  -4.884697985051
Cl	  -0.198836011688	  -2.979003130103	  -6.635491186881
C 	  -1.291846689874	  -3.225678308807	  -4.161175229220
C 	  -1.236744771171	  -3.210015896299	  -2.743115186928
C 	   0.005085795853	  -2.945187858843	  -2.111181883205
C 	   1.188373185814	  -2.793093803091	  -2.871207793898
C 	   1.097045592352	  -2.771968932811	  -4.244951220790
H 	  -2.226291382037	  -3.477213708297	  -4.666118887542
H 	  -2.065205825008	  -3.646272346414	  -2.177390427616
H 	   2.151198865056	  -2.648515616493	  -2.380174041979
H 	   1.986927621970	  -2.580479676000	  -4.847970146095
O 	   0.513344944152	  -4.263296095779	  -0.776719791825
S 	  -0.491141291165	  -5.138317820417	  -0.068859329764
O 	   0.016704180423	  -5.659069183307	   1.188998019911
O 	  -1.855978318874	  -4.618406090079	  -0.088335806298
C 	  -0.548137142300	  -6.617340441776	  -1.184346378308
F 	  -0.915957178747	  -6.271590463919	  -2.413254758419
F 	   0.644207966991	  -7.195038365206	  -1.251086634660
F 	  -1.421416920097	  -7.503766536857	  -0.720120952797
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.6, θ = 170), G = -5221.684839535064
Pd	  -1.049807887016	  -1.471432128303	  -1.163929605931
P 	  -2.986926981767	   0.051381900220	  -1.132355715674
Cl	  -2.648295909881	   1.426108280582	  -2.051315916364
Cl	  -4.351903054345	  -0.698358857777	  -1.781068000735
Cl	  -3.392923141819	   0.575869445259	   0.420676269301
P 	   0.303078388114	  -0.504460509040	   0.567236092635
Cl	   1.882503691710	  -1.087142194476	   0.656354169818
Cl	  -0.429510747273	  -0.694526134357	   2.075357708908
Cl	   0.387225325503	   1.153247625132	   0.255817787283
C 	  -0.216598120513	  -3.102243991105	  -4.785215233098
Cl	  -0.279161743969	  -3.191596058790	  -6.533177700008
C 	  -1.365713167375	  -3.250591072321	  -4.044794699586
C 	  -1.298852144307	  -3.167673065043	  -2.628768011337
C 	  -0.041375163798	  -2.930944353038	  -2.018712183445
C 	   1.142029530487	  -2.876608108888	  -2.791087276813
C 	   1.041215467481	  -2.920065057023	  -4.163372526951
H 	  -2.312245554676	  -3.491450265137	  -4.531481343485
H 	  -2.133016978351	  -3.562535622027	  -2.040750541213
H 	   2.115184212735	  -2.760455436088	  -2.314430756793
H 	   1.935019740124	  -2.807385952976	  -4.780194618144
O 	   0.420697964698	  -4.211358733979	  -0.613792146684
S 	  -0.542229427894	  -5.256178875578	  -0.109159052646
O 	  -0.078367700968	  -5.889467829727	   1.113538273534
O 	  -1.945336852648	  -4.857495725865	  -0.175917666655
C 	  -0.372503488926	  -6.583517652370	  -1.393693205863
F 	  -0.672736582418	  -6.126350229128	  -2.604099063964
F 	   0.870735714900	  -7.047054550907	  -1.419942451787
F 	  -1.191873878896	  -7.590714926669	  -1.112607325080
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.6, θ = 180), G = -5221.677862014834
Pd	  -1.028407963134	  -1.442924210839	  -1.151296410341
P 	  -3.026119649430	   0.032771603691	  -1.123594075231
Cl	  -2.694315167073	   1.487958683934	  -1.912039339173
Cl	  -4.341919709899	  -0.698015257471	  -1.884947262109
Cl	  -3.498529436334	   0.417762668246	   0.451448755622
P 	   0.358989318214	  -0.421395743092	   0.554065975865
Cl	   1.951620530020	  -0.971121858215	   0.611800950012
Cl	  -0.334372887066	  -0.599325176640	   2.082007694833
Cl	   0.400583910976	   1.231671470750	   0.211107938973
C 	  -0.211045898815	  -3.136539555437	  -4.759856329793
Cl	  -0.275604345482	  -3.259483518388	  -6.505454566759
C 	  -1.362608454675	  -3.246360158915	  -4.016843437838
C 	  -1.293567864736	  -3.141770070567	  -2.602202117593
C 	  -0.031846318166	  -2.919583150190	  -1.998400742705
C 	   1.152406491511	  -2.911262586085	  -2.769618140703
C 	   1.050671097748	  -2.975020800851	  -4.141161214311
H 	  -2.311616052541	  -3.483390080507	  -4.499610031440
H 	  -2.128605879459	  -3.525840190459	  -2.008353395724
H 	   2.128307212979	  -2.817342210169	  -2.295506056793
H 	   1.946995397447	  -2.898260044865	  -4.759840712247
O 	   0.387452627459	  -4.212670603760	  -0.576118684047
S 	  -0.579705060306	  -5.277901593984	  -0.127854173119
O 	  -0.143789834263	  -5.945956299957	   1.086688024742
O 	  -1.983514434623	  -4.885655560505	  -0.217121011133
C 	  -0.373630120634	  -6.570780452653	  -1.442500851995
F 	  -0.656002718249	  -6.088110682617	  -2.647361693666
F 	   0.874461949645	  -7.022182070705	  -1.457125408624
F 	  -1.187975232209	  -7.592272629159	  -1.201198425495
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.6, θ = 190), G = -5221.667506360401
Pd	  -1.024299254379	  -1.355972511529	  -1.114805264155
P 	  -3.020195497224	   0.181723768481	  -1.198990487718
Cl	  -2.624781384890	   1.627308773815	  -1.975637543162
Cl	  -4.329984316302	  -0.518267557791	  -1.997793512701
Cl	  -3.524124878513	   0.582425785201	   0.362446470572
P 	   0.413522125393	  -0.319709625876	   0.577493087659
Cl	   1.996464394321	  -0.896910001499	   0.628633293035
Cl	  -0.272678629093	  -0.463370340486	   2.112159362392
Cl	   0.477080927538	   1.326718414735	   0.207436100456
C 	  -0.291380845589	  -3.259313604332	  -4.641760555536
Cl	  -0.361940807243	  -3.474704552897	  -6.377618717265
C 	  -1.447554723360	  -3.270395596394	  -3.897285708313
C 	  -1.374049049901	  -3.100581378140	  -2.489518062447
C 	  -0.102837242479	  -2.911909803116	  -1.899468879711
C 	   1.080568354809	  -3.014071813003	  -2.661067132404
C 	   0.976382407064	  -3.140701005367	  -4.028855031596
H 	  -2.403530507621	  -3.495022528654	  -4.370507769926
H 	  -2.219991566104	  -3.433274714782	  -1.880049583364
H 	   2.059167661779	  -2.957056503009	  -2.188955186214
H 	   1.875917145716	  -3.148357925380	  -4.647655149585
O 	   0.209981130730	  -4.198890888041	  -0.398922471328
S 	  -0.648149237547	  -5.418655305299	  -0.197723790506
O 	  -0.240691482168	  -6.197744975077	   0.960678543965
O 	  -2.076984741863	  -5.179903934906	  -0.381120496594
C 	  -0.173481484359	  -6.498329806414	  -1.633302091741
F 	  -0.571507668310	  -5.985294644534	  -2.791369611885
F 	   1.144365363074	  -6.658588348860	  -1.681356047934
F 	  -0.736974684565	  -7.694149456258	  -1.495968504777
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.6, θ = 200), G = -5221.653044980543
Pd	  -1.001922898740	  -1.347259743653	  -1.089473039080
P 	  -3.128537275235	   0.114770074172	  -1.150977097771
Cl	  -2.940521098552	   1.396666708905	  -2.232506383991
Cl	  -4.513713014989	  -0.756024704444	  -1.558097370574
Cl	  -3.386315512199	   0.797493307978	   0.372932682293
P 	   0.507919247784	  -0.279410258539	   0.590502362486
Cl	   2.093790811783	  -0.849765555047	   0.617067327808
Cl	  -0.144896034972	  -0.396463268255	   2.141981753409
Cl	   0.548306780980	   1.359268604675	   0.184898779018
C 	  -0.222221941025	  -3.245071052781	  -4.641397448907
Cl	  -0.261674113823	  -3.469987671769	  -6.376567152058
C 	  -1.392735485695	  -3.233248751999	  -3.919262532546
C 	  -1.345315036998	  -3.066280067544	  -2.510876511662
C 	  -0.084876123044	  -2.894067950389	  -1.899512567857
C 	   1.110791545864	  -3.028263985757	  -2.633174453220
C 	   1.033781628954	  -3.154902749246	  -4.003140183617
H 	  -2.340006262430	  -3.450749836967	  -4.411059009073
H 	  -2.203086918173	  -3.396829653071	  -1.917940640123
H 	   2.078249675227	  -3.005697662508	  -2.139202937643
H 	   1.945576660263	  -3.190819122736	  -4.602245135733
O 	   0.159422810994	  -4.203754999542	  -0.396613665385
S 	  -0.719053374981	  -5.415183746591	  -0.237343498641
O 	  -0.357171091363	  -6.214527849652	   0.922167578069
O 	  -2.138717182070	  -5.155840437857	  -0.459754632388
C 	  -0.220395792271	  -6.487109332722	  -1.671052058374
F 	  -0.583147111805	  -5.959771729830	  -2.833984644707
F 	   1.096127027721	  -6.663122873211	  -1.687897689541
F 	  -0.801348412300	  -7.677045771028	  -1.558356570965
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.6, θ = 210), G = -5221.631254546292
Pd	  -0.940398712567	  -1.320746017288	  -1.058389140524
P 	  -3.284150977490	   0.038120637429	  -1.148231144333
Cl	  -3.044975090136	   1.500283063022	  -1.958097351172
Cl	  -4.586694853313	  -0.771142610086	  -1.847792544972
Cl	  -3.704625649483	   0.434171248600	   0.439566740486
P 	   0.674993769884	  -0.222687483751	   0.573281759147
Cl	   2.264660130507	  -0.782138628146	   0.560018364322
Cl	   0.075605354754	  -0.302450674747	   2.148655842522
Cl	   0.679763552100	   1.404662850765	   0.122879103852
C 	  -0.186501746131	  -3.268723342665	  -4.629305851463
Cl	  -0.215859936201	  -3.523233493200	  -6.359913881646
C 	  -1.364390656661	  -3.207828213463	  -3.919376756760
C 	  -1.327165877230	  -3.028132233217	  -2.514960786733
C 	  -0.072120824065	  -2.875881658840	  -1.897588073180
C 	   1.126028857088	  -3.065821545469	  -2.608738825827
C 	   1.062246189996	  -3.215332737650	  -3.978332810403
H 	  -2.310402442771	  -3.406542320223	  -4.418866717201
H 	  -2.199838311942	  -3.317023945991	  -1.923065055049
H 	   2.083648611311	  -3.082126960752	  -2.098911525070
H 	   1.978329923135	  -3.305073870825	  -4.564318571002
O 	   0.116226400914	  -4.183539448609	  -0.368279262443
S 	  -0.770942570060	  -5.392567913322	  -0.247548194623
O 	  -0.437666698495	  -6.212158312652	   0.906381109618
O 	  -2.183725183834	  -5.120266165566	  -0.495751660775
C 	  -0.256421147126	  -6.453262418371	  -1.686185308776
F 	  -0.644591904270	  -5.939704613509	  -2.846763680315
F 	   1.063853058271	  -6.596964700699	  -1.716834149368
F 	  -0.806571757280	  -7.656888570164	  -1.564416369102
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.7, θ = 120), G = -5222.007905887379
Pd	  -1.094049456737	  -1.588169499675	  -1.261898288936
P 	  -2.968946503598	  -0.082943906958	  -1.062963732840
Cl	  -2.729892438188	   1.324111330180	  -2.090655275429
Cl	  -4.448734469178	  -0.857271642026	  -1.613656854237
Cl	  -3.324057544221	   0.538949335838	   0.543533309955
P 	   0.238271351187	  -0.848653224179	   0.514452519902
Cl	   1.889908109354	  -1.448920792514	   0.524020869844
Cl	  -0.461042994257	  -1.278448350158	   2.069203192796
Cl	   0.361180412283	   0.906055080530	   0.497047118280
C 	  -0.122323876031	  -2.961826048642	  -4.973030395581
Cl	  -0.150269281580	  -2.949033015024	  -6.722598526909
C 	  -1.271608791256	  -3.248140646460	  -4.269180097876
C 	  -1.235292300313	  -3.241595814900	  -2.853339357212
C 	  -0.018766178412	  -2.924984286489	  -2.209572571191
C 	   1.169908528841	  -2.713261277893	  -2.937414690523
C 	   1.100356989594	  -2.699670128235	  -4.314520600737
H 	  -2.192302400432	  -3.520461767092	  -4.788497018251
H 	  -2.069563321649	  -3.675230773203	  -2.292869590556
H 	   2.112004251279	  -2.512550246330	  -2.424852734727
H 	   1.990794659477	  -2.468360380303	  -4.902463112942
O 	   0.534569781738	  -4.213973830338	  -0.817770328743
S 	  -0.467949703158	  -5.017468160168	  -0.029914085260
O 	   0.044257531996	  -5.435756853714	   1.263874592353
O 	  -1.828441219641	  -4.484498887913	  -0.082925724983
C 	  -0.550424384564	  -6.574657452898	  -1.029287860536
F 	  -0.933831662788	  -6.313705423594	  -2.274454194878
F 	   0.637102565520	  -7.164039694702	  -1.070734921900
F 	  -1.422546146353	  -7.418493722533	  -0.490416379672
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.7, θ = 130), G = -5222.007893092504
Pd	  -1.087200951494	  -1.587913734144	  -1.252474383302
P 	  -2.972705313485	  -0.089578857272	  -1.052773903241
Cl	  -2.734195972224	   1.325978769370	  -2.068814501958
Cl	  -4.448761239175	  -0.864254411835	  -1.612657936794
Cl	  -3.334056940456	   0.519498473703	   0.557285322083
P 	   0.250710365552	  -0.812823969515	   0.509625343130
Cl	   1.915822318538	  -1.374196671255	   0.515656441229
Cl	  -0.432552366810	  -1.231831408992	   2.074388017689
Cl	   0.333854098394	   0.943939935012	   0.465854173702
C 	  -0.119493532291	  -2.970621740954	  -4.963664498584
Cl	  -0.148130493022	  -2.961496961991	  -6.713190209404
C 	  -1.270399034126	  -3.246864457958	  -4.258559505776
C 	  -1.233096383810	  -3.237602805296	  -2.842638039911
C 	  -0.014119733114	  -2.927391032011	  -2.200535207852
C 	   1.176159495440	  -2.729258674820	  -2.929257470128
C 	   1.105775117394	  -2.717807580874	  -4.306365705304
H 	  -2.192919160967	  -3.515040627309	  -4.776770219201
H 	  -2.068352423555	  -3.668181744034	  -2.281263601591
H 	   2.120860071690	  -2.536998221794	  -2.418653342731
H 	   1.997919900627	  -2.495631321503	  -4.895241334195
O 	   0.526470213347	  -4.217589770242	  -0.800478207894
S 	  -0.483228609731	  -5.032889885364	  -0.034367841814
O 	   0.015504634051	  -5.470000161920	   1.258478904618
O 	  -1.843614349768	  -4.500119362013	  -0.093509700709
C 	  -0.553487543957	  -6.577588012365	  -1.054510472645
F 	  -0.920273952492	  -6.302124276979	  -2.301556408552
F 	   0.634503564479	  -7.166744055177	  -1.087382055574
F 	  -1.432680270120	  -7.427867511876	  -0.537508396069
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.7, θ = 140), G = -5222.006835466040
Pd	  -1.080516180569	  -1.585998101946	  -1.239464303811
P 	  -2.978842310143	  -0.095875972181	  -1.040792190042
Cl	  -2.746049282732	   1.323831012894	  -2.052338955291
Cl	  -4.453559491102	  -0.874120174988	  -1.598888826335
Cl	  -3.337624400621	   0.507593676228	   0.572029555429
P 	   0.263626737937	  -0.766492744009	   0.505405952338
Cl	   1.941184683771	  -1.288968507304	   0.508776080741
Cl	  -0.400982630163	  -1.161875254795	   2.084244596388
Cl	   0.305928257828	   0.990477872920	   0.421577760027
C 	  -0.115095978843	  -2.980402352729	  -4.950824801247
Cl	  -0.143047296049	  -2.977297580977	  -6.700330181455
C 	  -1.268517224664	  -3.243545041738	  -4.244980059705
C 	  -1.231044931931	  -3.230405872446	  -2.828912033223
C 	  -0.009541662635	  -2.928318333864	  -2.188166028219
C 	   1.183074161191	  -2.747340879993	  -2.917013368704
C 	   1.112788873436	  -2.739107185099	  -4.294175727683
H 	  -2.192755302591	  -3.506958589112	  -4.762514753543
H 	  -2.067603874271	  -3.657596881354	  -2.266809403856
H 	   2.130632069575	  -2.566425856576	  -2.408127439769
H 	   2.007526745967	  -2.529089255249	  -4.883561833631
O 	   0.515089564088	  -4.224436919212	  -0.780579294276
S 	  -0.501639590453	  -5.055866250730	  -0.042438199099
O 	  -0.019638912711	  -5.514924502178	   1.249220592566
O 	  -1.863238549785	  -4.527172840174	  -0.110305550279
C 	  -0.554335150780	  -6.584807904624	  -1.087567504606
F 	  -0.900128404501	  -6.291277937877	  -2.336534636766
F 	   0.634279737371	  -7.173450353246	  -1.109427021188
F 	  -1.441658147709	  -7.443147349053	  -0.598387165542
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.7, θ = 150), G = -5222.004810631704
Pd	  -1.072007542707	  -1.582748241216	  -1.223281076589
P 	  -2.987669935681	  -0.102891747211	  -1.034607584353
Cl	  -2.760587685111	   1.318858013259	  -2.044522093707
Cl	  -4.459462873446	  -0.887711574271	  -1.590673151592
Cl	  -3.346102406535	   0.498897150760	   0.579032698133
P 	   0.279704713765	  -0.717828917519	   0.505529399322
Cl	   1.967578999595	  -1.205429108140	   0.506812823395
Cl	  -0.368647595841	  -1.085757492453	   2.097655494032
Cl	   0.284717190742	   1.037321812159	   0.379940393682
C 	  -0.110733022795	  -2.988109790517	  -4.936290093569
Cl	  -0.138992104593	  -2.991607233911	  -6.685723864209
C 	  -1.265801436299	  -3.239794359140	  -4.229013751961
C 	  -1.227409354231	  -3.222561445019	  -2.812852944761
C 	  -0.003592095567	  -2.927003755646	  -2.174373681513
C 	   1.190469926580	  -2.761705569199	  -2.903736857459
C 	   1.119572778795	  -2.756557771883	  -4.280991408925
H 	  -2.191269220322	  -3.500795273662	  -4.745442221974
H 	  -2.063887349176	  -3.648536851643	  -2.249623352289
H 	   2.140606902406	  -2.590963780867	  -2.396896797223
H 	   2.016143105076	  -2.557429959958	  -4.871369410570
O 	   0.505379271501	  -4.237446506828	  -0.763536299888
S 	  -0.517622871022	  -5.082498563084	  -0.051610271148
O 	  -0.050169628558	  -5.565263429369	   1.236868870467
O 	  -1.879491778688	  -4.554768676026	  -0.123896985629
C 	  -0.559160807441	  -6.594634654493	  -1.121823775813
F 	  -0.887965442824	  -6.281494529253	  -2.370797998142
F 	   0.628783034924	  -7.185141507395	  -1.137540006409
F 	  -1.454071263638	  -7.459396316895	  -0.658120792110
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.7, θ = 160), G = -5222.001934190637
Pd	  -1.060415620932	  -1.574316203345	  -1.205579554568
P 	  -3.004263348536	  -0.113748995606	  -1.032080492263
Cl	  -2.789171996931	   1.311695573577	  -2.039396738610
Cl	  -4.469990923799	  -0.911466786069	  -1.585246955719
Cl	  -3.364382938522	   0.484401166368	   0.582691563008
P 	   0.301358264286	  -0.665228230831	   0.511359943619
Cl	   1.994528917368	  -1.133653373728	   0.515882179694
Cl	  -0.339834163092	  -0.998215261797	   2.113997531389
Cl	   0.285158025118	   1.086277049557	   0.342001733711
C 	  -0.105911465184	  -3.002267744598	  -4.919014658657
Cl	  -0.135661979903	  -3.021868392058	  -6.668202053070
C 	  -1.261890665539	  -3.239047308908	  -4.208309304352
C 	  -1.221298701337	  -3.211989244992	  -2.792206030108
C 	   0.005454501061	  -2.921620970681	  -2.158119760472
C 	   1.199945620018	  -2.774229725061	  -2.889754661430
C 	   1.127175234403	  -2.777477678375	  -4.267005195748
H 	  -2.188620646751	  -3.501028567604	  -4.721709836244
H 	  -2.056562636302	  -3.636357541073	  -2.225943112939
H 	   2.153053150238	  -2.612024928750	  -2.386616778319
H 	   2.024897250077	  -2.591967644019	  -4.859995246253
O 	   0.498887904718	  -4.248477246744	  -0.745771141529
S 	  -0.531856727162	  -5.106981396546	  -0.063376750960
O 	  -0.079270590476	  -5.621388010138	   1.218210780624
O 	  -1.891884587504	  -4.574327917866	  -0.136221115057
C 	  -0.567563419326	  -6.597490729179	  -1.164198318403
F 	  -0.882969330747	  -6.260307304477	  -2.410522903288
F 	   0.618790221823	  -7.191473587932	  -1.179744401111
F 	  -1.469387838131	  -7.468419078510	  -0.726013463755
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.7, θ = 170), G = -5221.997677592581
Pd	  -1.056130151093	  -1.475855580761	  -1.168499003218
P 	  -2.984875161118	   0.033759549299	  -1.102684672902
Cl	  -2.705094791052	   1.446200283217	  -2.112306990939
Cl	  -4.452010247865	  -0.735165098524	  -1.691054140655
Cl	  -3.375537645924	   0.655624353252	   0.496169606066
P 	   0.312903760330	  -0.538861753018	   0.546520500777
Cl	   2.003672078904	  -1.015416420469	   0.559585355986
Cl	  -0.336364560228	  -0.844914612593	   2.151185303592
Cl	   0.304929187425	   1.209908483343	   0.350341216509
C 	  -0.189389091882	  -3.131947811457	  -4.807853178711
Cl	  -0.237090156029	  -3.250504815694	  -6.552572880389
C 	  -1.347928584460	  -3.269533043972	  -4.076619861117
C 	  -1.290312363807	  -3.168540914182	  -2.663645252892
C 	  -0.043663438371	  -2.906811925002	  -2.058263042999
C 	   1.149096351682	  -2.863927457934	  -2.804645753513
C 	   1.060835417130	  -2.937588439575	  -4.178988032942
H 	  -2.289246386965	  -3.521483912068	  -4.567405690077
H 	  -2.128166773106	  -3.549526794229	  -2.069907558017
H 	   2.114953766975	  -2.728532064764	  -2.319378090930
H 	   1.960380293860	  -2.834412347240	  -4.788890984298
O 	   0.400470611533	  -4.201092328213	  -0.570258861656
S 	  -0.578241639981	  -5.241662976714	  -0.100618612176
O 	  -0.164843651710	  -5.886580737579	   1.134725520175
O 	  -1.978424391237	  -4.836976882227	  -0.212629591399
C 	  -0.377422708376	  -6.566443765789	  -1.383542265700
F 	  -0.634385362194	  -6.103469076742	  -2.602523649822
F 	   0.862766130845	  -7.039913521328	  -1.372460780759
F 	  -1.212568984359	  -7.569330468429	  -1.134663348777
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.7, θ = 180), G = -5221.990480533663
Pd	  -1.038700783280	  -1.447856886378	  -1.141549223791
P 	  -3.015468995775	   0.032205123654	  -1.108519664746
Cl	  -2.756507839988	   1.449961073045	  -2.116158637299
Cl	  -4.472478061081	  -0.760110853127	  -1.690020298196
Cl	  -3.406886250556	   0.650833640619	   0.491655306927
P 	   0.351430139214	  -0.467871127661	   0.564948784235
Cl	   2.014769343723	  -1.023999373745	   0.664230791116
Cl	  -0.354765401713	  -0.631987848057	   2.166443560490
Cl	   0.430069437969	   1.261005843372	   0.247314966443
C 	  -0.202482336809	  -3.155997784594	  -4.774705881035
Cl	  -0.259321848688	  -3.306068669813	  -6.516470369494
C 	  -1.359189857196	  -3.263546244530	  -4.035895011449
C 	  -1.293580297937	  -3.142302181385	  -2.624535206324
C 	  -0.040216055978	  -2.891926487227	  -2.030859646742
C 	   1.149530486209	  -2.883882854316	  -2.781753836753
C 	   1.053579916163	  -2.974362227176	  -4.154651556947
H 	  -2.303646013963	  -3.517933211569	  -4.518423204809
H 	  -2.126609884939	  -3.519763356659	  -2.021675520870
H 	   2.120378232539	  -2.764615440643	  -2.304053867950
H 	   1.951910339380	  -2.898123323294	  -4.770290057996
O 	   0.373388963296	  -4.214959043301	  -0.540289812197
S 	  -0.598947188073	  -5.285516399940	  -0.133026602240
O 	  -0.208381065222	  -5.969185664870	   1.089030255779
O 	  -2.002634524799	  -4.898927577208	  -0.266091330553
C 	  -0.350451168922	  -6.566405577895	  -1.452050469231
F 	  -0.592132233074	  -6.071865571010	  -2.661957836754
F 	   0.897689085891	  -7.019026301673	  -1.431436351162
F 	  -1.172034627471	  -7.590771754027	  -1.250094019234
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.7, θ = 190), G = -5221.980219849809
Pd	  -1.008718405529	  -1.426671743359	  -1.127870608733
P 	  -3.092151270547	  -0.029345045251	  -1.075207267407
Cl	  -2.923997544211	   1.399374629626	  -2.086815975419
Cl	  -4.531189992973	  -0.886741740291	  -1.605780998306
Cl	  -3.449486755559	   0.576037174614	   0.538240218397
P 	   0.439168173047	  -0.391332035713	   0.543026418123
Cl	   2.144819371579	  -0.807793868432	   0.486068521950
Cl	  -0.122290295663	  -0.665549992890	   2.186112085115
Cl	   0.349582216678	   1.347311404234	   0.287270855818
C 	  -0.149360696261	  -3.174148731023	  -4.762042377461
Cl	  -0.187198886198	  -3.351146976935	  -6.501512023373
C 	  -1.317488952579	  -3.240822590918	  -4.036810213756
C 	  -1.266950068748	  -3.107286355161	  -2.626219555161
C 	  -0.016854849204	  -2.879172574152	  -2.020732499327
C 	   1.182061525439	  -2.919377578924	  -2.754183289299
C 	   1.102657123097	  -3.023348674699	  -4.127224800587
H 	  -2.259205385641	  -3.484409555121	  -4.528828585629
H 	  -2.109625839867	  -3.473582722640	  -2.030241662429
H 	   2.149386836398	  -2.833635090288	  -2.265015675429
H 	   2.011384936299	  -2.987103387317	  -4.731048773361
O 	   0.322464149789	  -4.211063899608	  -0.521386130361
S 	  -0.671373530267	  -5.278275097224	  -0.157030029585
O 	  -0.323197215406	  -5.981596005664	   1.066297418962
O 	  -2.066519106793	  -4.875121400754	  -0.325318072506
C 	  -0.403478021393	  -6.548208179117	  -1.483333678720
F 	  -0.599018728373	  -6.036940482231	  -2.694480765823
F 	   0.834692111388	  -7.024398916761	  -1.429601409915
F 	  -1.249799389575	  -7.558650643396	  -1.317215866557
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.7, θ = 200), G = -5221.965726369143
Pd	  -0.996656486531	  -1.358879931102	  -1.093445226773
P 	  -3.153612734600	   0.061806070080	  -1.105305455185
Cl	  -2.959399761479	   1.504265194821	  -2.092691038677
Cl	  -4.593836942559	  -0.775898725991	  -1.662326561893
Cl	  -3.520108873476	   0.651545474354	   0.512166620779
P 	   0.548689513740	  -0.312890040519	   0.547228795234
Cl	   2.255467579552	  -0.699799553355	   0.397182204112
Cl	   0.074111467260	  -0.608071654089	   2.213910080469
Cl	   0.411852535870	   1.425695888392	   0.312496452966
C 	  -0.177854600720	  -3.268736756738	  -4.680750867719
Cl	  -0.197467218057	  -3.517124513339	  -6.411238219409
C 	  -1.360065150351	  -3.242292559011	  -3.974652396875
C 	  -1.326044300267	  -3.063542506211	  -2.569970138293
C 	  -0.077317860396	  -2.873547896758	  -1.955127000861
C 	   1.128919323903	  -3.019858177564	  -2.657959383280
C 	   1.068412420322	  -3.172832602914	  -4.028329914754
H 	  -2.302526648710	  -3.460984575107	  -4.475002927503
H 	  -2.192743055647	  -3.373966030176	  -1.977613508839
H 	   2.088606731413	  -2.984922161924	  -2.151004526973
H 	   1.988012330370	  -3.222079255332	  -4.614082183301
O 	   0.129974926837	  -4.177999965075	  -0.382957830230
S 	  -0.774485868748	  -5.367268742498	  -0.221033494594
O 	  -0.467188405864	  -6.149574123663	   0.965577504517
O 	  -2.182172681111	  -5.086157217805	  -0.493794284227
C 	  -0.253801920882	  -6.478499891130	  -1.615433182421
F 	  -0.549280314111	  -5.957037354164	  -2.800877356829
F 	   1.055957866282	  -6.696761991763	  -1.574034871228
F 	  -0.877130363112	  -7.647586480817	  -1.511816029005
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.7, θ = 210), G = -5221.947396064716
Pd	  -0.921771934973	  -1.340031215793	  -1.051048316263
P 	  -3.329269323058	  -0.026979628413	  -1.084963554287
Cl	  -3.192627213841	   1.457253763241	  -2.019507252408
Cl	  -4.748765301839	  -0.888174846320	  -1.658937068477
Cl	  -3.691439671393	   0.498108807687	   0.555835561123
P 	   0.723759068934	  -0.260209090045	   0.549877562724
Cl	   2.421547598382	  -0.691327966716	   0.420103950818
Cl	   0.247940967791	  -0.456764187285	   2.230993889781
Cl	   0.615132126080	   1.465340002518	   0.222993773919
C 	  -0.123833743463	  -3.277439428020	  -4.675063506667
Cl	  -0.116448170885	  -3.539043529387	  -6.403339060620
C 	  -1.320496200063	  -3.201677566574	  -3.994482004961
C 	  -1.312520545259	  -3.021618401366	  -2.592704678418
C 	  -0.075317793695	  -2.865151915901	  -1.953883864476
C 	   1.139514907405	  -3.063944529440	  -2.623942656278
C 	   1.107455026926	  -3.228828867563	  -3.995060608492
H 	  -2.257490824291	  -3.387386231803	  -4.515836654537
H 	  -2.205372588400	  -3.277430393317	  -2.015480419260
H 	   2.082759808198	  -3.077937465450	  -2.088723633439
H 	   2.037086682426	  -3.333196266350	  -4.556437339472
O 	   0.066370265968	  -4.155412242049	  -0.365643117735
S 	  -0.842925822181	  -5.347708150519	  -0.252306706961
O 	  -0.574884555156	  -6.143892920946	   0.934379588831
O 	  -2.239032506082	  -5.060500411147	  -0.570505580024
C 	  -0.280190648929	  -6.447366813603	  -1.640805374411
F 	  -0.568764680118	  -5.931924313041	  -2.830012886149
F 	   1.032356315900	  -6.642849958111	  -1.581320676111
F 	  -0.884459735456	  -7.626906313667	  -1.545064108538
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.8, θ = 120), G = -5222.209111895783
Pd	  -1.091631643370	  -1.566456055146	  -1.297980755366
P 	  -2.985460314776	  -0.123856776598	  -0.998734839066
Cl	  -2.748312735842	   1.544370385527	  -1.726375432146
Cl	  -4.493099714175	  -0.783561947496	  -1.811065099208
Cl	  -3.495260551193	   0.184094792281	   0.737432514180
P 	   0.287343533385	  -0.822627839154	   0.428721917569
Cl	   2.072580697573	  -1.223124101578	   0.296848215932
Cl	  -0.228171855090	  -1.446503219455	   2.075266469132
Cl	   0.245090567884	   1.005795967373	   0.589311566780
C 	  -0.082333123328	  -3.058111670670	  -4.999796970345
Cl	  -0.086365876906	  -3.123604800633	  -6.746380695301
C 	  -1.247821464916	  -3.295755196391	  -4.301472919230
C 	  -1.226567181364	  -3.236989317164	  -2.888222647216
C 	  -0.017792797418	  -2.901805348721	  -2.253244059181
C 	   1.185725750816	  -2.741088711817	  -2.958306857143
C 	   1.135016559674	  -2.789824670947	  -4.337203917718
H 	  -2.165613400097	  -3.576575549209	  -4.820950028166
H 	  -2.072866867663	  -3.634236911890	  -2.317247144554
H 	   2.121831807088	  -2.529300430214	  -2.440716076070
H 	   2.038138084914	  -2.601124541794	  -4.920639887281
O 	   0.490613815773	  -4.143903487181	  -0.735439980281
S 	  -0.544164949659	  -4.961493642464	  -0.009222726104
O 	  -0.104375264364	  -5.389640278359	   1.307525547179
O 	  -1.903771583697	  -4.433978591977	  -0.132888163710
C 	  -0.568064106556	  -6.513411938399	  -1.020781451598
F 	  -0.877810810244	  -6.247955371047	  -2.285634317354
F 	   0.620607776682	  -7.101742070357	  -0.995553977820
F 	  -1.469152844214	  -7.360588755930	  -0.538133026705
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.8, θ = 130), G = -5222.208710695732
Pd	  -1.084907761375	  -1.574611224520	  -1.277219340470
P 	  -2.976832836576	  -0.119609157510	  -1.006221621207
Cl	  -2.738821705536	   1.501032448581	  -1.834154913741
Cl	  -4.499513676251	  -0.816814899154	  -1.756629638789
Cl	  -3.460073660151	   0.293964600085	   0.715591726735
P 	   0.282670420696	  -0.797660444149	   0.450048529126
Cl	   2.075536491982	  -1.166528399299	   0.332582351587
Cl	  -0.235645551813	  -1.399406948105	   2.103867957010
Cl	   0.205373691236	   1.032296613689	   0.579464951687
C 	  -0.089580442902	  -3.050826505989	  -4.987214699460
Cl	  -0.101345642124	  -3.108623604123	  -6.733948403271
C 	  -1.252874154892	  -3.287749240084	  -4.285034869631
C 	  -1.225057910569	  -3.234518904913	  -2.871552230812
C 	  -0.012636921145	  -2.904681493927	  -2.240937181774
C 	   1.188791851987	  -2.747629888650	  -2.949641733756
C 	   1.131622802095	  -2.790398274440	  -4.328709638349
H 	  -2.173235202624	  -3.565339405288	  -4.801689241890
H 	  -2.068423247120	  -3.635278790521	  -2.298538339078
H 	   2.128693318924	  -2.543273130228	  -2.436219564044
H 	   2.032839807785	  -2.602863198234	  -4.915473262896
O 	   0.496606912140	  -4.167840545003	  -0.725938276546
S 	  -0.541169020117	  -4.994119491155	  -0.016309003173
O 	  -0.107939616513	  -5.445878829520	   1.294969690618
O 	  -1.899784153750	  -4.462128279677	  -0.134716434109
C 	  -0.565924338457	  -6.531089955343	  -1.050616091670
F 	  -0.870936551995	  -6.247130962046	  -2.312785070478
F 	   0.621322638020	  -7.122807280916	  -1.030390028581
F 	  -1.470444032032	  -7.383484888965	  -0.583470363835
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.8, θ = 140), G = -5222.207803147467
Pd	  -1.060520333497	  -1.593954152921	  -1.268545692071
P 	  -3.003833909923	  -0.205636151453	  -0.948576132934
Cl	  -2.876428807552	   1.415972744776	  -1.798704402042
Cl	  -4.520525555015	  -0.985919506490	  -1.625501735867
Cl	  -3.435571297473	   0.206763362282	   0.787277237496
P 	   0.320693662879	  -0.753659247977	   0.424614253402
Cl	   2.117914795191	  -1.103740554227	   0.318197959461
Cl	  -0.185806213894	  -1.277401578723	   2.108389547632
Cl	   0.217283696946	   1.079328644337	   0.460843356412
C 	  -0.041590736148	  -3.025569591902	  -5.000400693644
Cl	  -0.042348569980	  -3.065731914265	  -6.747596599776
C 	  -1.211574377124	  -3.258528700005	  -4.308345127689
C 	  -1.192093146029	  -3.222215654238	  -2.894328360176
C 	   0.018052589990	  -2.907864694629	  -2.251816938009
C 	   1.226137267401	  -2.758549676842	  -2.950800743710
C 	   1.177754262455	  -2.785960673543	  -4.330687216064
H 	  -2.130782363461	  -3.523202330119	  -4.833740765550
H 	  -2.041857975193	  -3.624884201494	  -2.332614659794
H 	   2.165447746317	  -2.571671440937	  -2.430119750849
H 	   2.085194118389	  -2.603025883840	  -4.909334281771
O 	   0.484583486127	  -4.195337395996	  -0.750915621918
S 	  -0.577483535946	  -4.980638341317	  -0.029718199756
O 	  -0.160488376129	  -5.422244892346	   1.289985885856
O 	  -1.921089747660	  -4.412926501406	  -0.160151640434
C 	  -0.642457721882	  -6.531803376029	  -1.040412577401
F 	  -0.943444733241	  -6.258508600714	  -2.305764212736
F 	   0.529831875446	  -7.151804193985	  -1.013430968165
F 	  -1.566684592087	  -7.354285575389	  -0.558686660626
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.8, θ = 150), G = -5222.205989012516
Pd	  -1.050295595391	  -1.607251682982	  -1.243881829182
P 	  -3.025671363944	  -0.250189841505	  -0.921498062253
Cl	  -2.944887161322	   1.360041258660	  -1.798575187181
Cl	  -4.535188693445	  -1.073917723922	  -1.561667349513
Cl	  -3.437630107520	   0.185192148476	   0.813603560269
P 	   0.349822729190	  -0.706780086929	   0.414934401335
Cl	   2.141405060871	  -1.093627501576	   0.351735516868
Cl	  -0.184837700214	  -1.108885267950	   2.123417873537
Cl	   0.274728771655	   1.126101261714	   0.329800142289
C 	  -0.023184604152	  -3.009902962555	  -4.991921526952
Cl	  -0.020678514390	  -3.038052667765	  -6.739292944783
C 	  -1.195921753335	  -3.240680909072	  -4.303765138518
C 	  -1.179072108567	  -3.215176022561	  -2.889592196267
C 	   0.030457200105	  -2.909614813362	  -2.242603686245
C 	   1.241346777539	  -2.766763399549	  -2.937447587406
C 	   1.196133770870	  -2.784260676830	  -4.317798013734
H 	  -2.114827163515	  -3.498347252955	  -4.833054759707
H 	  -2.031267301718	  -3.619410229090	  -2.333091577553
H 	   2.181299628026	  -2.592558765967	  -2.414161061752
H 	   2.106456335513	  -2.604887507375	  -4.893062805023
O 	   0.474789640224	  -4.217232259466	  -0.748299900369
S 	  -0.599654328662	  -4.998550731906	  -0.042246919783
O 	  -0.199939948951	  -5.453075529481	   1.278421885850
O 	  -1.938019694812	  -4.420015404049	  -0.181673359659
C 	  -0.667882673675	  -6.542756724240	  -1.063539837765
F 	  -0.956435052818	  -6.259053318821	  -2.329534796759
F 	   0.499433176930	  -7.171824543173	  -1.031140973121
F 	  -1.602167815579	  -7.361518925195	  -0.594948607416
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.8, θ = 160), G = -5222.203275928331
Pd	  -1.035983700521	  -1.602790820850	  -1.228882351364
P 	  -3.040419545038	  -0.269054795103	  -0.920993984782
Cl	  -2.977531788242	   1.338189513985	  -1.805041963035
Cl	  -4.542868267311	  -1.112267073459	  -1.551697147897
Cl	  -3.448195711479	   0.173655821293	   0.813324793493
P 	   0.367952246336	  -0.663298218471	   0.422748783551
Cl	   2.167270820502	  -1.010906071652	   0.353796251733
Cl	  -0.154315179872	  -1.050901530748	   2.138337519441
Cl	   0.252562293487	   1.166159333975	   0.310733380756
C 	  -0.012927142027	  -3.013974242981	  -4.980722416927
Cl	  -0.011262100354	  -3.048586330423	  -6.727883946376
C 	  -1.187067102833	  -3.232782653498	  -4.291114845665
C 	  -1.168932716226	  -3.203599323225	  -2.876933988751
C 	   0.042970968007	  -2.905255995804	  -2.232029673142
C 	   1.254797556992	  -2.778683854885	  -2.927438607772
C 	   1.208724675659	  -2.798908175696	  -4.307869153116
H 	  -2.107126499227	  -3.487924589786	  -4.819393747438
H 	  -2.021310786079	  -3.605561593303	  -2.319105715078
H 	   2.197509867486	  -2.616514324248	  -2.406248343528
H 	   2.120702475573	  -2.631361253604	  -4.884047035846
O 	   0.470229244196	  -4.233689484925	  -0.740187672871
S 	  -0.611753537508	  -5.017280587180	  -0.050105932961
O 	  -0.222017225286	  -5.495497018337	   1.265261707826
O 	  -1.945573435843	  -4.427201748811	  -0.185458706890
C 	  -0.686730949536	  -6.547485343144	  -1.092283670376
F 	  -0.969720198993	  -6.246371209128	  -2.355637127420
F 	   0.476650688082	  -7.184209931189	  -1.064715784754
F 	  -1.627323441041	  -7.366898578209	  -0.637295361598
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.8, θ = 170), G = -5222.197952210698
Pd	  -1.053828936475	  -1.493585380336	  -1.170854257458
P 	  -2.996898585750	  -0.021459975264	  -1.060440678606
Cl	  -2.739557722742	   1.502045451459	  -2.050780052016
Cl	  -4.537901963346	  -0.776167296418	  -1.709427720462
Cl	  -3.447131842913	   0.585238288926	   0.612821649205
P 	   0.335160936850	  -0.567576073995	   0.519029667558
Cl	   2.114020917156	  -1.012192967442	   0.539080172783
Cl	  -0.286315332290	  -0.875089134978	   2.217534424915
Cl	   0.321833725830	   1.260981868372	   0.349535819993
C 	  -0.165127533210	  -3.150066888595	  -4.841362310693
Cl	  -0.207858845188	  -3.290526633053	  -6.582492232511
C 	  -1.328359957507	  -3.282873027044	  -4.113162442009
C 	  -1.272085322770	  -3.170005754490	  -2.703028739657
C 	  -0.032317960594	  -2.883549557988	  -2.110023881727
C 	   1.165469639347	  -2.846613542422	  -2.836602615286
C 	   1.081166007218	  -2.944009300526	  -4.212190961069
H 	  -2.266675037763	  -3.546431602763	  -4.603259196011
H 	  -2.107700365625	  -3.545306021948	  -2.100324609466
H 	   2.126858692893	  -2.693003839560	  -2.349017525172
H 	   1.982510191218	  -2.845876483583	  -4.820077856598
O 	   0.395068160003	  -4.193369873211	  -0.538653304620
S 	  -0.609391976351	  -5.212359879221	  -0.087947252167
O 	  -0.250760483342	  -5.856325507276	   1.165171624280
O 	  -2.000496374582	  -4.786128339304	  -0.246889020159
C 	  -0.397071283689	  -6.551190309084	  -1.354225922603
F 	  -0.602654531875	  -6.090649084201	  -2.584619135566
F 	   0.830955745204	  -7.053206885132	  -1.300024123167
F 	  -1.262598450779	  -7.533702330340	  -1.128654262505
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.8, θ = 180), G = -5222.190560612188
Pd	  -1.022833208713	  -1.471212913186	  -1.149763123650
P 	  -3.048122597723	  -0.077381880089	  -1.035011583097
Cl	  -2.957659431188	   1.359372771733	  -2.173274603501
Cl	  -4.593598994068	  -0.967847783710	  -1.462253864199
Cl	  -3.382991074564	   0.669639497084	   0.608849572127
P 	   0.396151200341	  -0.498431288225	   0.521422915903
Cl	   2.180134526410	  -0.922530607403	   0.524494373925
Cl	  -0.197428285814	  -0.774754801760	   2.235247664657
Cl	   0.355132925080	   1.325108662690	   0.308910641661
C 	  -0.122974457026	  -3.149729970764	  -4.823749443230
Cl	  -0.153437594305	  -3.304955390308	  -6.563683929453
C 	  -1.294257868892	  -3.252976761923	  -4.104291795072
C 	  -1.247461345561	  -3.133921875093	  -2.694174561981
C 	  -0.007775259965	  -2.868314260473	  -2.093611542472
C 	   1.196710161169	  -2.868739024511	  -2.808944718905
C 	   1.122140445242	  -2.970447541176	  -4.184805455198
H 	  -2.230948926031	  -3.508864475530	  -4.600609831194
H 	  -2.087513963367	  -3.507152075425	  -2.096757789461
H 	   2.157898872176	  -2.742736688960	  -2.314958607789
H 	   2.031034551334	  -2.900335496806	  -4.785279741860
O 	   0.350721426330	  -4.204913134038	  -0.525601383145
S 	  -0.668573304705	  -5.227965834252	  -0.118798780834
O 	  -0.340261453492	  -5.901599962581	   1.126875610327
O 	  -2.054061507333	  -4.790541361572	  -0.296708609789
C 	  -0.440015091473	  -6.543591892683	  -1.406959153708
F 	  -0.618257821547	  -6.058930446764	  -2.632328117068
F 	   0.783137363650	  -7.055523548741	  -1.338254867054
F 	  -1.316577777062	  -7.523721994934	  -1.216864016727
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.8, θ = 190), G = -5222.180336985983
Pd	  -1.007971987349	  -1.430628458669	  -1.133281656221
P 	  -3.098870992223	  -0.063824189419	  -1.045712199377
Cl	  -2.928430099999	   1.519382958934	  -1.958670726746
Cl	  -4.596704835545	  -0.877926233762	  -1.721467861154
Cl	  -3.562853672621	   0.447656518017	   0.655839829372
P 	   0.470122952909	  -0.411478594402	   0.508408545409
Cl	   2.268257099327	  -0.752661538973	   0.397638396258
Cl	  -0.010015230938	  -0.732959193190	   2.249629594528
Cl	   0.330001101525	   1.410489632424	   0.326130556842
C 	  -0.130784012489	  -3.206177007824	  -4.785881077050
Cl	  -0.159139537295	  -3.412660824298	  -6.520250939855
C 	  -1.306116463541	  -3.259732244866	  -4.067627038480
C 	  -1.260669077350	  -3.107709410880	  -2.660700652999
C 	  -0.017497040365	  -2.857094016673	  -2.064564844296
C 	   1.188132166383	  -2.910713578523	  -2.774311941535
C 	   1.116267268285	  -3.045000944210	  -4.147412411932
H 	  -2.244796160382	  -3.512075742621	  -4.560839524402
H 	  -2.105106102799	  -3.459764454857	  -2.056541089566
H 	   2.150218945698	  -2.808012193347	  -2.279381120225
H 	   2.028895023541	  -3.020096680503	  -4.745713289285
O 	   0.294487640367	  -4.196414721568	  -0.482860697435
S 	  -0.711542218001	  -5.257151527647	  -0.146353969136
O 	  -0.415104272569	  -5.957762309320	   1.092413588405
O 	  -2.100020166872	  -4.850963058949	  -0.367898192638
C 	  -0.406677454337	  -6.534756969235	  -1.456989481322
F 	  -0.543655350182	  -6.022809249891	  -2.676650629906
F 	   0.821336050751	  -7.029118497521	  -1.351600404572
F 	  -1.273452065007	  -7.533037547630	  -1.326235503467
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.8, θ = 200), G = -5222.165612042684
Pd	  -0.960049204364	  -1.407962926656	  -1.100341374449
P 	  -3.227904487191	  -0.125028699995	  -1.025229195205
Cl	  -3.027875107950	   1.591088623957	  -1.646844759844
Cl	  -4.638087775326	  -0.832590021894	  -1.959291323043
Cl	  -3.839255553230	   0.099629218404	   0.691675999425
P 	   0.600036708359	  -0.329672567635	   0.493049060918
Cl	   2.355114179573	  -0.856182700215	   0.557617792130
Cl	  -0.004902687130	  -0.374136679237	   2.225065671299
Cl	   0.652919802026	   1.458943414815	   0.080851549879
C 	  -0.122484109877	  -3.225869179173	  -4.768551358431
Cl	  -0.150796618950	  -3.456648701552	  -6.499677984316
C 	  -1.300908002004	  -3.243464886325	  -4.052600556703
C 	  -1.257159338805	  -3.080208309530	  -2.648118719103
C 	  -0.012800574440	  -2.845468447531	  -2.053450292712
C 	   1.193266129601	  -2.941866907309	  -2.755425901208
C 	   1.124794967710	  -3.091237221111	  -4.127569269202
H 	  -2.241075197668	  -3.485011102865	  -4.546721359566
H 	  -2.107534124151	  -3.411273182412	  -2.041404216786
H 	   2.153698094199	  -2.871701524682	  -2.254517773534
H 	   2.040152540012	  -3.104623888225	  -4.721666052714
O 	   0.265076649718	  -4.189633410595	  -0.466173397692
S 	  -0.737836160605	  -5.264026432999	  -0.166869492044
O 	  -0.454740523954	  -5.988019798548	   1.061565660793
O 	  -2.124827925467	  -4.861044970329	  -0.400207412362
C 	  -0.407737788492	  -6.517862111511	  -1.495069000824
F 	  -0.533251368926	  -5.989418391778	  -2.708689311742
F 	   0.821983266426	  -7.006258011980	  -1.382580468475
F 	  -1.269504280184	  -7.523451262493	  -1.389711255255
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.9, θ = 120), G = -5222.322172325322
Pd	  -1.076082387961	  -1.593731259073	  -1.290458365485
P 	  -2.996100368298	  -0.215469728014	  -0.933656880066
Cl	  -2.941489379686	   1.470353419635	  -1.845940919954
Cl	  -4.603964859921	  -1.036025169878	  -1.580629376278
Cl	  -3.441540660532	   0.261229128004	   0.869655719680
P 	   0.329268482851	  -0.845695671603	   0.393462705825
Cl	   2.202063831999	  -1.240702622580	   0.287375079898
Cl	  -0.168927425257	  -1.439821608853	   2.146834815586
Cl	   0.305420493810	   1.066008776893	   0.551634825665
C 	  -0.027366929608	  -3.059388906140	  -5.035311844906
Cl	  -0.012064909436	  -3.136231773969	  -6.779254466002
C 	  -1.203760528171	  -3.292832175951	  -4.350687521452
C 	  -1.196445360075	  -3.233241314083	  -2.939409398394
C 	   0.001185697108	  -2.885740052952	  -2.302900080627
C 	   1.214979291439	  -2.727672890950	  -2.979436800601
C 	   1.180889267588	  -2.788057387514	  -4.360636566363
H 	  -2.115444407549	  -3.576501247608	  -4.878969077206
H 	  -2.052008125446	  -3.618365265085	  -2.372903698809
H 	   2.141221268648	  -2.505568675127	  -2.449327884705
H 	   2.091363639047	  -2.603184006843	  -4.933589924964
O 	   0.474405647796	  -4.135866872670	  -0.707718079327
S 	  -0.599204173699	  -4.920702042732	  -0.006895872196
O 	  -0.219999710410	  -5.344898000994	   1.329731264214
O 	  -1.941713830432	  -4.359171472539	  -0.183955395526
C 	  -0.632062680762	  -6.483558049320	  -1.000796556335
F 	  -0.907078730372	  -6.226711794706	  -2.275747253750
F 	   0.543639950702	  -7.094720878883	  -0.941356512496
F 	  -1.560871594485	  -7.306732535896	  -0.529996676162
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.9, θ = 130), G = -5222.321915168081
Pd	  -1.066716936558	  -1.600555415897	  -1.279909761988
P 	  -2.995356015757	  -0.227511648475	  -0.925039773257
Cl	  -2.938059584258	   1.462522738794	  -1.829323536095
Cl	  -4.600072618682	  -1.046418311190	  -1.581630987842
Cl	  -3.447842391697	   0.241448284550	   0.878580159897
P 	   0.336089209180	  -0.818610739700	   0.396443928332
Cl	   2.217797785659	  -1.167681404200	   0.289164629842
Cl	  -0.148044869748	  -1.398582476943	   2.158420399359
Cl	   0.265014895659	   1.094053004615	   0.528832022233
C 	  -0.023060545940	  -3.059235624890	  -5.032416652683
Cl	  -0.010208877939	  -3.134554608927	  -6.776392743941
C 	  -1.199298287881	  -3.289316229212	  -4.346456940958
C 	  -1.189538024335	  -3.231891436406	  -2.935095831233
C 	   0.009779263665	  -2.888657384884	  -2.299610799274
C 	   1.223350506475	  -2.735581344902	  -2.977504923214
C 	   1.187051371817	  -2.793921089069	  -4.358857781810
H 	  -2.112325935547	  -3.570493052088	  -4.873743522773
H 	  -2.044470641541	  -3.618140830582	  -2.368401083020
H 	   2.152115911004	  -2.519314132582	  -2.449761546546
H 	   2.097630266623	  -2.612464327409	  -4.932749062834
O 	   0.474089787290	  -4.152158434327	  -0.707969153697
S 	  -0.605959724097	  -4.932853160979	  -0.013221489898
O 	  -0.234734232598	  -5.364767377624	   1.323170169968
O 	  -1.944784361525	  -4.362641288664	  -0.192353054891
C 	  -0.645310477621	  -6.492549743890	  -1.011755468235
F 	  -0.915591474283	  -6.230755416466	  -2.286727013364
F 	   0.526737125398	  -7.110570598795	  -0.950966272828
F 	  -1.579969613821	  -7.311798029270	  -0.545608649966
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.9, θ = 140), G = -5222.320679711535
Pd	  -1.070541378434	  -1.630383683377	  -1.246888957822
P 	  -3.006835924096	  -0.255167727601	  -0.896977888810
Cl	  -2.934055172730	   1.430674036326	  -1.807992251164
Cl	  -4.614124372320	  -1.066365163944	  -1.556519354077
Cl	  -3.460491103916	   0.227903351865	   0.902637148996
P 	   0.355514318478	  -0.769236262604	   0.379293078718
Cl	   2.234002717913	  -1.143514957200	   0.309128478542
Cl	  -0.140916650325	  -1.202405673426	   2.179733496453
Cl	   0.297696797574	   1.148408627483	   0.359495346880
C 	  -0.012762402216	  -3.034892789316	  -5.020761940390
Cl	   0.004455501870	  -3.084793176300	  -6.765498964750
C 	  -1.191165426451	  -3.273893069728	  -4.341173795337
C 	  -1.185538787628	  -3.236002363194	  -2.929225904613
C 	   0.011071090545	  -2.898615246908	  -2.286748533787
C 	   1.227301016394	  -2.741476745793	  -2.957878433022
C 	   1.195639692887	  -2.781546974236	  -4.340210656055
H 	  -2.102201351130	  -3.548343275803	  -4.875332323781
H 	  -2.041949254157	  -3.629674848945	  -2.369863185740
H 	   2.155412487192	  -2.535559718901	  -2.425390372688
H 	   2.108629545672	  -2.594529993616	  -4.908579422244
O 	   0.462562476790	  -4.190472171225	  -0.702926369699
S 	  -0.623159270421	  -4.973289531819	  -0.021765594457
O 	  -0.265692097422	  -5.412679935055	   1.316133374097
O 	  -1.961204085542	  -4.402982072741	  -0.208970835587
C 	  -0.656249958655	  -6.526086337739	  -1.031433207263
F 	  -0.913630589695	  -6.253162574226	  -2.306912422052
F 	   0.513723435021	  -7.147598385284	  -0.964753656150
F 	  -1.597179746324	  -7.347313416122	  -0.581501594910
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.9, θ = 150), G = -5222.319220853887
Pd	  -1.061439781160	  -1.627715727504	  -1.235716212669
P 	  -3.014857806768	  -0.261083587214	  -0.898181546713
Cl	  -2.946070255252	   1.421064543388	  -1.816352370002
Cl	  -4.618967970295	  -1.081272086336	  -1.553895227275
Cl	  -3.469286929980	   0.231797622406	   0.898655757022
P 	   0.365719501765	  -0.742455134123	   0.392007181009
Cl	   2.249185447911	  -1.090705783898	   0.326283507735
Cl	  -0.133207913315	  -1.156345292343	   2.196223433824
Cl	   0.280209544252	   1.173837199776	   0.346425200538
C 	  -0.009146219628	  -3.041999275402	  -5.012400044183
Cl	   0.006125480359	  -3.099271399734	  -6.756881728927
C 	  -1.187402415879	  -3.274983267378	  -4.330459984829
C 	  -1.179737486436	  -3.231958739514	  -2.918679335108
C 	   0.018270698375	  -2.895263385565	  -2.278915018649
C 	   1.234356135066	  -2.746655669678	  -2.951781595969
C 	   1.200825503790	  -2.791071290896	  -4.334115992886
H 	  -2.098991946550	  -3.551371812129	  -4.862585913358
H 	  -2.034426755293	  -3.626113299882	  -2.356998253617
H 	   2.164672001087	  -2.545015990757	  -2.421987057549
H 	   2.113967454343	  -2.610304919618	  -4.904243597931
O 	   0.461761332487	  -4.200448294477	  -0.695404102827
S 	  -0.628009844386	  -4.988318645023	  -0.027983409334
O 	  -0.276850499591	  -5.449508917137	   1.304317981512
O 	  -1.963427017854	  -4.410035096840	  -0.209878707560
C 	  -0.663818984675	  -6.528925336812	  -1.056460098441
F 	  -0.917234900261	  -6.241466596295	  -2.329615457961
F 	   0.504229083068	  -7.154669966577	  -0.994059009187
F 	  -1.608133946272	  -7.352739929841	  -0.618203137439
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.9, θ = 160), G = -5222.316270246151
Pd	  -1.045622617339	  -1.623781313829	  -1.220307584059
P 	  -3.037894727177	  -0.290068914523	  -0.896441945661
Cl	  -2.978443850427	   1.404139253506	  -1.793002718209
Cl	  -4.625425642408	  -1.121128492339	  -1.577671194399
Cl	  -3.513700249037	   0.179589764549	   0.901209778092
P 	   0.399482406871	  -0.696796627753	   0.395369602089
Cl	   2.296227560857	  -0.928554322869	   0.248652404109
Cl	  -0.005733013007	  -1.165643744604	   2.209476603628
Cl	   0.201655304615	   1.211832756827	   0.387182173419
C 	   0.011859000882	  -3.049765279621	  -5.002796050665
Cl	   0.031848107607	  -3.116244653067	  -6.746768932015
C 	  -1.170980019390	  -3.265681623974	  -4.323097140221
C 	  -1.166481536767	  -3.217577926004	  -2.911539666073
C 	   0.032523313558	  -2.890295480734	  -2.269937851462
C 	   1.252499989206	  -2.764481615601	  -2.939339405417
C 	   1.222810271034	  -2.813474746728	  -4.321789578966
H 	  -2.082939623463	  -3.537221067807	  -4.856850638086
H 	  -2.024578195345	  -3.605897460022	  -2.351268297185
H 	   2.185411467458	  -2.580065106192	  -2.409030282252
H 	   2.140723896188	  -2.650068465213	  -4.889457087663
O 	   0.447546582680	  -4.212918215406	  -0.684397408368
S 	  -0.654776164813	  -4.996459142195	  -0.033713684418
O 	  -0.320304028999	  -5.476729287029	   1.296150818336
O 	  -1.982926777738	  -4.402385734115	  -0.219040787308
C 	  -0.697528597380	  -6.526992290232	  -1.077233956668
F 	  -0.938857116191	  -6.226096505994	  -2.349699839527
F 	   0.464329087866	  -7.163920425590	  -1.011995712162
F 	  -1.652413320425	  -7.346313412827	  -0.653546359688
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.9, θ = 170), G = -5222.310872081153
Pd	  -1.022134757028	  -1.614011813135	  -1.204979576929
P 	  -3.068759030821	  -0.336716697988	  -0.892913327433
Cl	  -3.017615349055	   1.390103446309	  -1.725853535233
Cl	  -4.633351813836	  -1.163529741365	  -1.629322808566
Cl	  -3.573657998393	   0.066538545764	   0.913037381007
P 	   0.436340717971	  -0.641392975368	   0.400994783665
Cl	   2.336008043991	  -0.814242509176	   0.216230656985
Cl	   0.076162328330	  -1.110752051511	   2.224362088314
Cl	   0.178325810551	   1.260014394001	   0.386495803608
C 	   0.029708646511	  -3.061582358984	  -4.993644413102
Cl	   0.048391720586	  -3.142910187240	  -6.736884568715
C 	  -1.155842213477	  -3.254355244819	  -4.311845434274
C 	  -1.149423467718	  -3.196707541298	  -2.900730026529
C 	   0.053376479647	  -2.880139936468	  -2.262299410359
C 	   1.275208846615	  -2.784797619198	  -2.931962504265
C 	   1.244429283570	  -2.842550618312	  -4.314325473481
H 	  -2.070324820623	  -3.521234816530	  -4.843245192665
H 	  -2.009019713405	  -3.577671360629	  -2.337685459542
H 	   2.212453669585	  -2.621038108981	  -2.404045914442
H 	   2.165338948413	  -2.702257974727	  -4.883234684311
O 	   0.437292544438	  -4.220330960922	  -0.672718208629
S 	  -0.679217805953	  -4.998805167851	  -0.042058954475
O 	  -0.364397115299	  -5.501100006365	   1.284527280263
O 	  -1.998586272968	  -4.385992286030	  -0.231175576240
C 	  -0.730522287266	  -6.517498124034	  -1.102880073032
F 	  -0.962478079119	  -6.201743644414	  -2.373565619960
F 	   0.425324154329	  -7.165375820089	  -1.038326041890
F 	  -1.694718960673	  -7.332918900029	  -0.692835930525
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.9, θ = 180), G = -5222.303299495258
Pd	  -1.024820495039	  -1.480538952331	  -1.162529235728
P 	  -3.060710460645	  -0.126953293490	  -0.977614624684
Cl	  -2.947484987335	   1.535246820617	  -1.927330175613
Cl	  -4.654256941718	  -0.955268277993	  -1.646444160262
Cl	  -3.541281816267	   0.422178666754	   0.796492553066
P 	   0.437200767725	  -0.513176253612	   0.464367977161
Cl	   2.328868002375	  -0.792728851738	   0.340459040822
Cl	  -0.001550028773	  -0.900108204229	   2.289792720068
Cl	   0.272566174456	   1.396375675961	   0.375674116275
C 	  -0.083797841290	  -3.202307150594	  -4.860187557469
Cl	  -0.095045876231	  -3.405239424478	  -6.593300264760
C 	  -1.267082555670	  -3.282467132418	  -4.153100889992
C 	  -1.232880849370	  -3.131657960166	  -2.748040888447
C 	  -0.004026002931	  -2.839231981467	  -2.153398733425
C 	   1.211000776653	  -2.860279442724	  -2.837775917279
C 	   1.152675491713	  -3.008481269414	  -4.212793391248
H 	  -2.198523511207	  -3.549212725084	  -4.653344004691
H 	  -2.080463934130	  -3.481390586020	  -2.144044599665
H 	   2.164220315079	  -2.713250166433	  -2.335355391403
H 	   2.069556525282	  -2.959400124696	  -4.802990345718
O 	   0.310652541924	  -4.174325492212	  -0.478398801517
S 	  -0.729515879170	  -5.182675339358	  -0.100655608517
O 	  -0.468197062185	  -5.845814013704	   1.166775257912
O 	  -2.103538838245	  -4.735876646378	  -0.346004646839
C 	  -0.465230706681	  -6.516361198440	  -1.362661715835
F 	  -0.581821795549	  -6.042174566903	  -2.600125982925
F 	   0.745808243270	  -7.046220742205	  -1.235755619262
F 	  -1.364007747132	  -7.481661446656	  -1.202593850823
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.9, θ = 190), G = -5222.293094086500
Pd	  -0.989723772861	  -1.452653062513	  -1.137829126865
P 	  -3.136749229215	  -0.172309426031	  -0.968364405157
Cl	  -3.034393485900	   1.546087600776	  -1.814202165173
Cl	  -4.697746963011	  -0.988218978343	  -1.722674556509
Cl	  -3.662652587192	   0.269466738540	   0.822930149132
P 	   0.525443143046	  -0.435012468376	   0.461695517875
Cl	   2.413544551315	  -0.740357056400	   0.345416138427
Cl	   0.087466123240	  -0.744303728984	   2.302240514394
Cl	   0.376327343114	   1.470947448071	   0.298535422600
C 	  -0.067143144666	  -3.226258284743	  -4.838455823036
Cl	  -0.074737647833	  -3.457012501375	  -6.567885572995
C 	  -1.254703242479	  -3.272454306585	  -4.135193589771
C 	  -1.224219482697	  -3.104957083171	  -2.732469007178
C 	   0.005886011548	  -2.823748628459	  -2.138334726353
C 	   1.223129706028	  -2.887125152446	  -2.813973649570
C 	   1.169434435530	  -3.052901212782	  -4.187482786927
H 	  -2.186364213002	  -3.535033309670	  -4.636135692993
H 	  -2.075241953815	  -3.443230887920	  -2.127194322460
H 	   2.176543023237	  -2.764805808554	  -2.307952859222
H 	   2.090468948296	  -3.037652425699	  -4.772871839665
O 	   0.263788800791	  -4.169907947303	  -0.454710988778
S 	  -0.774020633260	  -5.196476847340	  -0.123525621998
O 	  -0.532747281254	  -5.888090346757	   1.132611829178
O 	  -2.147208280122	  -4.756638777984	  -0.385490367494
C 	  -0.476524154936	  -6.502187203949	  -1.408088456471
F 	  -0.568612662304	  -6.004034814268	  -2.638246472700
F 	   0.733666140377	  -7.030478534250	  -1.266624532358
F 	  -1.374597983066	  -7.473653072919	  -1.286607748595
28
TS_CO-PdL2 (VL_PAr3, r0 = 1.9, θ = 200), G = -5222.279407177843
Pd	  -0.942720110454	  -1.425904374437	  -1.081522224027
P 	  -3.250342267468	  -0.182572782559	  -0.983628133975
Cl	  -3.136410845466	   1.557365726630	  -1.783372746019
Cl	  -4.800609936520	  -0.982486159133	  -1.776144987039
Cl	  -3.794251319197	   0.218304191481	   0.812134066481
P 	   0.635641402819	  -0.371900414304	   0.488584489466
Cl	   2.488370902967	  -0.857462465219	   0.546858858894
Cl	   0.061901396527	  -0.435746230239	   2.317140252410
Cl	   0.671640733501	   1.509549042494	   0.114943041636
C 	  -0.077195515507	  -3.243890161372	  -4.801786566912
Cl	  -0.083016355421	  -3.499180112677	  -6.527944523830
C 	  -1.268799276266	  -3.252729865602	  -4.102918185917
C 	  -1.242462414211	  -3.074320216166	  -2.702949455679
C 	  -0.010437331701	  -2.818679471154	  -2.104902986740
C 	   1.207388490222	  -2.919254392559	  -2.774008424800
C 	   1.158829942434	  -3.096088373494	  -4.146505305407
H 	  -2.202282704606	  -3.500329380084	  -4.606644011070
H 	  -2.104637944650	  -3.380368289037	  -2.097824487699
H 	   2.158276665287	  -2.829204483729	  -2.259040215105
H 	   2.083145760811	  -3.117041299339	  -4.726123094508
O 	   0.221755310022	  -4.173515746049	  -0.440140324287
S 	  -0.795624170715	  -5.238386454245	  -0.169964831607
O 	  -0.566746842049	  -5.960549521661	   1.071095540602
O 	  -2.171612884803	  -4.827128191217	  -0.455958908335
C 	  -0.430268122685	  -6.500111072520	  -1.481034104737
F 	  -0.498909073568	  -5.971845525242	  -2.699789004425
F 	   0.787040941000	  -7.005804287470	  -1.319063940912
F 	  -1.309352921396	  -7.493719770501	  -1.410374527243
28
TS_CO-PdL2 (VL_PAr3, r0 = 2.0, θ = 120), G = -5222.364868070893
Pd	  -1.091377100247	  -1.693546119303	  -1.258163848671
P 	  -3.013318981989	  -0.324433347231	  -0.825442903285
Cl	  -3.034547923580	   1.396419631356	  -1.853120677191
Cl	  -4.730737431557	  -1.192761214635	  -1.386087055216
Cl	  -3.434443797253	   0.277069157258	   1.039647242828
P 	   0.377636614392	  -0.869444167924	   0.318079056524
Cl	   2.352566710572	  -1.187186342201	   0.192471366055
Cl	  -0.024615259865	  -1.408810475075	   2.206190786611
Cl	   0.300981984205	   1.131386724565	   0.430749186138
C 	   0.053811187054	  -3.037645399141	  -5.089520883792
Cl	   0.111792275761	  -3.098524104946	  -6.830933897745
C 	  -1.134113168003	  -3.312306280461	  -4.436713905886
C 	  -1.162159868933	  -3.278767509053	  -3.027598193158
C 	   0.005585004788	  -2.898510126177	  -2.366376347353
C 	   1.231056444716	  -2.693349980418	  -2.998904930421
C 	   1.234885686525	  -2.739607767174	  -4.383016347384
H 	  -2.025033504521	  -3.611794434432	  -4.990660550422
H 	  -2.029280464176	  -3.673909488107	  -2.486634848003
H 	   2.135518394990	  -2.450774064516	  -2.441594455618
H 	   2.155395918255	  -2.525328334868	  -4.929023012114
O 	   0.464626001741	  -4.169279114431	  -0.733928593272
S 	  -0.652122254739	  -4.870155987389	  -0.015237537452
O 	  -0.336201230002	  -5.223063182440	   1.357492708224
O 	  -1.965093656518	  -4.260575710313	  -0.272957386343
C 	  -0.734284541398	  -6.487057746673	  -0.912178300200
F 	  -0.970238943058	  -6.292445719154	  -2.205472957424
F 	   0.411105415460	  -7.142595857670	  -0.787699471243
F 	  -1.709082003709	  -7.236003118854	  -0.414248984975
28
TS_CO-PdL2 (VL_PAr3, r0 = 2.0, θ = 130), G = -5222.365079227592
Pd	  -1.089504987554	  -1.702811417513	  -1.248872968784
P 	  -3.016865710140	  -0.334119959996	  -0.819470812592
Cl	  -3.037761977403	   1.379873890608	  -1.858584533123
Cl	  -4.736185820083	  -1.204667953474	  -1.370553060725
Cl	  -3.432721504579	   0.281884719222	   1.042120703727
P 	   0.378575524930	  -0.862895986753	   0.327225438854
Cl	   2.357839480987	  -1.152691612735	   0.204323396200
Cl	  -0.023457584375	  -1.392293805794	   2.218168260361
Cl	   0.272517041795	   1.137447354596	   0.426100696866
C 	   0.062916111951	  -3.023532590928	  -5.086376105721
Cl	   0.123294375212	  -3.073285826081	  -6.828030677707
C 	  -1.125384313675	  -3.304770332100	  -4.436850366010
C 	  -1.155797896784	  -3.279029927587	  -3.027684223468
C 	   0.009934387740	  -2.899445447996	  -2.362799801820
C 	   1.236139812984	  -2.689401040356	  -2.991937703767
C 	   1.242262447774	  -2.727514724724	  -4.376431209282
H 	  -2.014491427371	  -3.603603473661	  -4.994026629653
H 	  -2.022840851630	  -3.678945650501	  -2.490192000131
H 	   2.139621531934	  -2.448651272241	  -2.432502183618
H 	   2.163184497883	  -2.508116926140	  -4.919754228066
O 	   0.462317697476	  -4.184440222199	  -0.735542070113
S 	  -0.655580359740	  -4.886714382941	  -0.020512071253
O 	  -0.339519117483	  -5.251729445723	   1.349047555108
O 	  -1.967097285035	  -4.270736404065	  -0.270599016317
C 	  -0.743475100695	  -6.496874943718	  -0.929339290085
F 	  -0.978915875293	  -6.292519046814	  -2.221277496701
F 	   0.399855735044	  -7.156933173765	  -0.809733225655
F 	  -1.720547324945	  -7.246480476013	  -0.436801117322
28
TS_CO-PdL2 (VL_PAr3, r0 = 2.0, θ = 140), G = -5222.363394724223
Pd	  -1.084914593444	  -1.709267179250	  -1.238550749602
P 	  -3.019490251073	  -0.338767355069	  -0.812040287518
Cl	  -3.041817269361	   1.364100605224	  -1.869302290697
Cl	  -4.742535127501	  -1.212763089651	  -1.345418699956
Cl	  -3.424053846176	   0.300075299564	   1.044398229867
P 	   0.388881050539	  -0.845979955788	   0.332525746581
Cl	   2.371239808398	  -1.112533357722	   0.209204109228
Cl	  -0.010480631413	  -1.346186433341	   2.231945643799
Cl	   0.256344034467	   1.154216916324	   0.399453184709
C 	   0.066631754287	  -3.023408098363	  -5.082827955908
Cl	   0.127426724557	  -3.072313941888	  -6.824457251641
C 	  -1.121663220792	  -3.305845133244	  -4.433565310230
C 	  -1.152354761867	  -3.280930991243	  -3.024506174440
C 	   0.012682151339	  -2.900608796616	  -2.359178900500
C 	   1.239011312695	  -2.690781519828	  -2.987778841917
C 	   1.245568491102	  -2.727742459852	  -4.372471345535
H 	  -2.009936628308	  -3.606122298813	  -4.991259557187
H 	  -2.018447694395	  -3.683292029897	  -2.487388217755
H 	   2.142974237053	  -2.451554899238	  -2.428849026487
H 	   2.166706371419	  -2.508183601183	  -4.915386505411
O 	   0.459413657170	  -4.197840937187	  -0.735781718916
S 	  -0.659744749872	  -4.900824919634	  -0.024186834770
O 	  -0.343935725255	  -5.276879651718	   1.342413930912
O 	  -1.969557958234	  -4.278453326691	  -0.267510514218
C 	  -0.753992336550	  -6.504951633742	  -0.943235553312
F 	  -0.989254263989	  -6.292035106819	  -2.233883442118
F 	   0.387071497366	  -7.169775885448	  -0.828227595111
F 	  -1.733460523234	  -7.254350298282	  -0.455018812664
28
TS_CO-PdL2 (VL_PAr3, r0 = 2.0, θ = 150), G = -5222.367018528119
Pd	  -1.043277702117	  -1.845400955684	  -1.179711335851
P 	  -3.053026779956	  -0.594645279565	  -0.758877049389
Cl	  -3.270694906810	   0.961931553858	  -2.003377547652
Cl	  -4.749077468479	  -1.624975055780	  -1.038905356598
Cl	  -3.361225038061	   0.255838474798	   1.030332788074
P 	   0.451307091378	  -0.774868086523	   0.277149989126
Cl	   2.435478856078	  -1.053026342664	   0.224871213584
Cl	   0.028202834798	  -1.033308705592	   2.219761344632
Cl	   0.310950321996	   1.218302962740	   0.102501782683
C 	   0.153708588911	  -2.851922459493	  -5.094167329622
Cl	   0.220683211833	  -2.737766403932	  -6.832910924568
C 	  -1.031778362044	  -3.212524754766	  -4.478505501107
C 	  -1.072135571699	  -3.310698490895	  -3.073398176534
C 	   0.079883009895	  -2.958125818306	  -2.367986502782
C 	   1.308120989908	  -2.688783963473	  -2.970757856373
C 	   1.324518474801	  -2.605679504974	  -4.353439228832
H 	  -1.911269377112	  -3.479045068036	  -5.066442270681
H 	  -1.939689256038	  -3.762354605295	  -2.583678043492
H 	   2.207251840473	  -2.494489576612	  -2.387959155454
H 	   2.247060042754	  -2.332166931779	  -4.868737092255
O 	   0.507538136631	  -4.385363525521	  -0.884823833264
S 	  -0.615532786990	  -4.909571754575	  -0.039684908894
O 	  -0.233822715160	  -5.265317001744	   1.314433750437
O 	  -1.852252786500	  -4.122364146534	  -0.206829583217
C 	  -1.012822686727	  -6.517834868657	  -0.865833619657
F 	  -1.310173826821	  -6.320576975897	  -2.145298827874
F 	   0.023064484630	  -7.339954019449	  -0.794628545025
F 	  -2.052677110636	  -7.088308775084	  -0.273982920211
28
TS_CO-PdL2 (VL_PAr3, r0 = 2.0, θ = 160), G = -5222.363712096359
Pd	  -1.032191017864	  -1.842772635282	  -1.160180924244
P 	  -3.071759857808	  -0.614615463421	  -0.755698561131
Cl	  -3.286068460067	   0.949937825683	  -1.990759559644
Cl	  -4.764872078011	  -1.647424546517	  -1.042989248728
Cl	  -3.384399789663	   0.228634722551	   1.036345522561
P 	   0.461583774244	  -0.733368357182	   0.300110791710
Cl	   2.450276653771	  -0.976900386865	   0.249263811812
Cl	   0.040001623031	  -0.976888032566	   2.244974892716
Cl	   0.283094127612	   1.254700068840	   0.103711393048
C 	   0.161779485285	  -2.856996929844	  -5.084046815429
Cl	   0.228446298561	  -2.751268526957	  -6.823240094041
C 	  -1.025870006045	  -3.205986685203	  -4.465861264501
C 	  -1.065610992349	  -3.298575651021	  -3.060453624462
C 	   0.088667693541	  -2.950750456886	  -2.356947091801
C 	   1.318723870252	  -2.697819574628	  -2.962053607587
C 	   1.335146129121	  -2.619358411537	  -4.345178526679
H 	  -1.906522296487	  -3.471128110469	  -5.052488520033
H 	  -1.934621340546	  -3.745327483406	  -2.569126248933
H 	   2.221854824454	  -2.517884086571	  -2.381922261204
H 	   2.260442463407	  -2.359213151986	  -4.862425457359
O 	   0.513954010004	  -4.396679826370	  -0.878072359537
S 	  -0.615824042636	  -4.931217449311	  -0.050286453680
O 	  -0.244654204951	  -5.321397296413	   1.297306805587
O 	  -1.845619885728	  -4.130427841758	  -0.205324704137
C 	  -1.022485438078	  -6.519357102069	  -0.911084558607
F 	  -1.317026381194	  -6.295785016311	  -2.186887207397
F 	   0.008353566761	  -7.349335219789	  -0.855374968926
F 	  -2.066487219696	  -7.095794454127	  -0.332195900229
28
TS_CO-PdL2 (VL_PAr3, r0 = 2.0, θ = 170), G = -5222.358451733114
Pd	  -1.018880685316	  -1.825645438996	  -1.152532906831
P 	  -3.094384756854	  -0.625451798262	  -0.767347744407
Cl	  -3.265022967617	   1.023433649722	  -1.894975292104
Cl	  -4.782752022332	  -1.625061483639	  -1.173998962624
Cl	  -3.451933010125	   0.095269404877	   1.069314767141
P 	   0.485366312780	  -0.682425177751	   0.309085460853
Cl	   2.476928442641	  -0.895196849331	   0.238433117631
Cl	   0.085107367780	  -0.920893069190	   2.259011428380
Cl	   0.267305444338	   1.300435190227	   0.101034728075
C 	   0.170761265072	  -2.895426316374	  -5.078385301772
Cl	   0.239820793412	  -2.822508346015	  -6.819046878200
C 	  -1.020483039373	  -3.221868125439	  -4.454860705394
C 	  -1.061540225084	  -3.291241739469	  -3.048368795753
C 	   0.095080362311	  -2.942977513718	  -2.349275699147
C 	   1.327615427192	  -2.715689176474	  -2.958489848283
C 	   1.345942050677	  -2.659201403615	  -4.342791211938
H 	  -1.901825070014	  -3.491805481524	  -5.037973752418
H 	  -1.931544975492	  -3.728355989937	  -2.550422593379
H 	   2.233810555082	  -2.544745505357	  -2.381766948372
H 	   2.275048478888	  -2.421547841348	  -4.863892216642
O 	   0.510638811028	  -4.389761685712	  -0.861083792665
S 	  -0.629701636000	  -4.928355685177	  -0.051468355226
O 	  -0.276227652113	  -5.335196059639	   1.295928104726
O 	  -1.853651502416	  -4.119689667740	  -0.211861466468
C 	  -1.033150669638	  -6.507748558677	  -0.930397617032
F 	  -1.318102459945	  -6.273673321105	  -2.206491611046
F 	  -0.003889392520	  -7.339832855800	  -0.874251591914
F 	  -2.082023737406	  -7.087839233988	  -0.364009056066
28
TS_CO-PdL2 (VL_PAr3, r0 = 2.0, θ = 180), G = -5222.346053158498
Pd	  -1.031519784177	  -1.522924262957	  -1.143087020860
P 	  -3.113576536405	  -0.249169145182	  -0.856016329185
Cl	  -3.056964624534	   1.533434475494	  -1.771375280513
Cl	  -4.786241868339	  -1.083790454205	  -1.576339126396
Cl	  -3.637188721961	   0.270147094775	   1.008469787024
P 	   0.494962187272	  -0.552512882881	   0.424293750284
Cl	   2.467541991455	  -0.898604715751	   0.371622724061
Cl	   0.023165898176	  -0.820633679458	   2.353519149005
Cl	   0.415276980350	   1.444401571753	   0.257155730284
C 	  -0.019334082232	  -3.236664169310	  -4.921003046072
Cl	   0.001555225658	  -3.494280084659	  -6.644610836895
C 	  -1.220119237928	  -3.293546228193	  -4.236634572239
C 	  -1.209740098229	  -3.113372885225	  -2.838040100987
C 	   0.001466042990	  -2.794284051752	  -2.236387006600
C 	   1.230885637497	  -2.828485753555	  -2.882394255013
C 	   1.201824220835	  -3.025135642013	  -4.255067545699
H 	  -2.142873908855	  -3.569756816676	  -4.747426476443
H 	  -2.073861613006	  -3.436678891425	  -2.240157514134
H 	   2.172321351740	  -2.663922020556	  -2.364732361071
H 	   2.132204746101	  -3.001113210367	  -4.825145629924
O 	   0.286861046497	  -4.124757040870	  -0.460713396368
S 	  -0.785725402462	  -5.101800581979	  -0.102177885728
O 	  -0.607280057424	  -5.733576984970	   1.195244441376
O 	  -2.134477851095	  -4.629405644831	  -0.431329188827
C 	  -0.506006910094	  -6.474782727929	  -1.315512763562
F 	  -0.554867784881	  -6.026361713635	  -2.567238214096
F 	   0.680933445577	  -7.037707082144	  -1.123411393286
F 	  -1.440908783606	  -7.407716550887	  -1.172390378916
28
TS_CO-PdL2 (VL_PAr3, r0 = 2.0, θ = 190), G = -5222.330130177063
Pd	  -1.051368278874	  -1.533525259120	  -1.115179804897
P 	  -3.172125435328	  -0.272531500526	  -0.849983780470
Cl	  -3.048640734556	   1.572864808135	  -1.623938912155
Cl	  -4.810051089282	  -1.034987409652	  -1.715133807361
Cl	  -3.796809661034	   0.125115963317	   1.013878911001
P 	   0.590394330021	  -0.521431336436	   0.425777495212
Cl	   2.543650365922	  -0.966453529411	   0.445256716667
Cl	   0.063003171860	  -0.648378500768	   2.355000543788
Cl	   0.612749488484	   1.465278913198	   0.154177410032
C 	  -0.011232209459	  -3.246480883628	  -4.915905084312
Cl	   0.034685937680	  -3.512630024771	  -6.637669951766
C 	  -1.219117210064	  -3.321997880848	  -4.244186830466
C 	  -1.231759726014	  -3.133728298397	  -2.847851633167
C 	  -0.034694800491	  -2.790692140171	  -2.233478014170
C 	   1.202083206221	  -2.811700673215	  -2.864202649168
C 	   1.196575913588	  -3.012644509449	  -4.236789873052
H 	  -2.127924270818	  -3.621666594381	  -4.765828367430
H 	  -2.099519647054	  -3.459201558690	  -2.258456465795
H 	   2.133446618181	  -2.640048817648	  -2.333646715208
H 	   2.134434977973	  -2.979569219476	  -4.793701636086
O 	   0.240809873225	  -4.105571880633	  -0.448078478731
S 	  -0.813214486013	  -5.109658988566	  -0.107431847216
O 	  -0.627742869115	  -5.755732873225	   1.181739648719
O 	  -2.168118946024	  -4.655642008827	  -0.434300517220
C 	  -0.496292445553	  -6.466082330938	  -1.332386160863
F 	  -0.533330358070	  -6.009716991864	  -2.581324131979
F 	   0.696578011859	  -7.011607907802	  -1.127208819599
F 	  -1.418158218394	  -7.414578645602	  -1.210031985074
28
TS_CO-PdL2 (VL_PAr3, r0 = 2.1, θ = 120), G = -5222.364533499849
Pd	  -1.105894239880	  -1.700586089433	  -1.248467219387
P 	  -3.019543808587	  -0.316485252699	  -0.805120924533
Cl	  -2.994758797891	   1.528453167989	  -1.797643934065
Cl	  -4.835438801759	  -1.125954315668	  -1.466079463361
Cl	  -3.503200509952	   0.257983466447	   1.150708153203
P 	   0.387360082213	  -0.911801480831	   0.304150594593
Cl	   2.455567494579	  -1.234115621541	   0.210821363169
Cl	  -0.036034306239	  -1.451803140991	   2.283868604407
Cl	   0.336703122747	   1.178555617333	   0.453062713726
C 	   0.054538923956	  -3.109515288225	  -5.105188551187
Cl	   0.121663117110	  -3.234024239922	  -6.840722526609
C 	  -1.137554450566	  -3.372536156845	  -4.450362775802
C 	  -1.172407586323	  -3.290075273226	  -3.045809168224
C 	  -0.015438352127	  -2.864503368331	  -2.404856530741
C 	   1.213219754154	  -2.668121553482	  -3.021159952759
C 	   1.226589790958	  -2.772153159596	  -4.404903782836
H 	  -2.022173531795	  -3.701542248224	  -4.997362541806
H 	  -2.042452829524	  -3.663809889378	  -2.492261992638
H 	   2.108099298918	  -2.387991778280	  -2.466240891787
H 	   2.148812210995	  -2.569997807951	  -4.952378832220
O 	   0.455689967595	  -4.110269303408	  -0.629405944384
S 	  -0.667078550746	  -4.861824742895	   0.016476672523
O 	  -0.404767085784	  -5.269780912291	   1.385229827177
O 	  -1.981320649907	  -4.261522042288	  -0.267287925466
C 	  -0.690372442378	  -6.443123842097	  -0.947173508506
F 	  -0.890066672007	  -6.204617091265	  -2.239753003497
F 	   0.463508857012	  -7.081785176758	  -0.812432648274
F 	  -1.664938495859	  -7.230052555554	  -0.510590551500
28
TS_CO-PdL2 (VL_PAr3, r0 = 2.1, θ = 130), G = -5222.370076571374
Pd	  -1.056842836448	  -1.841693046792	  -1.230408144034
P 	  -3.014864477372	  -0.581777504455	  -0.725718868462
Cl	  -3.215169338614	   1.233483922555	  -1.752989555741
Cl	  -4.793796431957	  -1.554399188279	  -1.254302204018
Cl	  -3.437444498388	   0.005576308966	   1.240637930562
P 	   0.445503508584	  -0.839724792911	   0.216438760554
Cl	   2.527143777271	  -1.064081673780	   0.123935629033
Cl	   0.085057519082	  -1.247355901582	   2.240400178061
Cl	   0.288465656510	   1.250903892851	   0.219288021106
C 	   0.169493714299	  -2.934671131354	  -5.155280424392
Cl	   0.258398215187	  -2.885864752980	  -6.893868633512
C 	  -1.020732519370	  -3.294100561308	  -4.544202335817
C 	  -1.079332974051	  -3.346028033647	  -3.139376909737
C 	   0.056456697272	  -2.946306251274	  -2.440763043991
C 	   1.288032943838	  -2.667128819967	  -3.023128251686
C 	   1.323048175787	  -2.635523336620	  -4.409204152147
H 	  -1.889380057956	  -3.591331236671	  -5.133476865941
H 	  -1.954560507658	  -3.775272100686	  -2.642465453498
H 	   2.170609570806	  -2.424712081495	  -2.432247795495
H 	   2.247457004282	  -2.360526823654	  -4.920022030801
O 	   0.496030109515	  -4.311138657584	  -0.838381599249
S 	  -0.643790407291	  -4.821636814152	  -0.010237854722
O 	  -0.309637377468	  -5.118597108429	   1.369781016068
O 	  -1.881934197099	  -4.048829101397	  -0.251781867928
C 	  -1.000511847501	  -6.464131072654	  -0.784513857019
F 	  -1.258810138602	  -6.318313055103	  -2.078777668211
F 	   0.041593481950	  -7.268709442066	  -0.647823791773
F 	  -2.052171255688	  -7.021111714949	  -0.202394967995
28
TS_CO-PdL2 (VL_PAr3, r0 = 2.1, θ = 140), G = -5222.368848675594
Pd	  -1.050451827838	  -1.849467558098	  -1.220962279387
P 	  -3.007040688132	  -0.578601815717	  -0.728024077152
Cl	  -3.181027729342	   1.245958456741	  -1.743571371127
Cl	  -4.792969410649	  -1.529207539564	  -1.272584754100
Cl	  -3.431604997803	   0.000213759654	   1.240475649455
P 	   0.445820105133	  -0.821884280905	   0.224943967984
Cl	   2.532804012797	  -0.972747944430	   0.108506534660
Cl	   0.110708266436	  -1.244455048229	   2.250177737638
Cl	   0.215490668940	   1.262042958992	   0.233278865411
C 	   0.168289428229	  -2.937753873290	  -5.152642303121
Cl	   0.254424548245	  -2.887444718707	  -6.891300285878
C 	  -1.020951728847	  -3.297718437201	  -4.539911503927
C 	  -1.077474250591	  -3.350963880219	  -3.135127835838
C 	   0.059250621176	  -2.952093502253	  -2.437439468031
C 	   1.290071665994	  -2.674308314765	  -3.021842827919
C 	   1.323086457678	  -2.640461358916	  -4.408021515244
H 	  -1.890146420620	  -3.595241839812	  -5.128217912639
H 	  -1.951723056169	  -3.781288214544	  -2.637813881515
H 	   2.174781038931	  -2.437020226617	  -2.432565026561
H 	   2.247162355367	  -2.366524850854	  -4.920019775348
O 	   0.504447192205	  -4.333420395857	  -0.844827306583
S 	  -0.637148983446	  -4.835261098590	  -0.015285113675
O 	  -0.305179285703	  -5.138777268858	   1.363831962576
O 	  -1.868665527722	  -4.049734695924	  -0.253203317722
C 	  -1.011024511268	  -6.473374520148	  -0.790754707263
F 	  -1.272692577567	  -6.324295169735	  -2.083938283107
F 	   0.025066040041	  -7.286564194431	  -0.658605076618
F 	  -2.064989896555	  -7.022604507140	  -0.205440835757
28
TS_CO-PdL2 (VL_PAr3, r0 = 2.1, θ = 150), G = -5222.368887227723
Pd	  -1.033960039278	  -1.909427303701	  -1.145138049604
P 	  -3.043311293312	  -0.679890858365	  -0.680744023391
Cl	  -3.342454546285	   0.891603566292	  -2.034510378769
Cl	  -4.832132586157	  -1.752860579060	  -0.874836003709
Cl	  -3.349584076975	   0.299329553532	   1.146533904252
P 	   0.486358805396	  -0.777576130833	   0.231447855413
Cl	   2.572327704798	  -0.971867679635	   0.175700541703
Cl	   0.111732103165	  -1.022666980695	   2.279100465608
Cl	   0.284244563464	   1.303146047115	   0.071782488225
C 	   0.207712589184	  -2.837880657797	  -5.122556530085
Cl	   0.307478404654	  -2.707609079726	  -6.856555448534
C 	  -0.983323879782	  -3.235599543582	  -4.536182424997
C 	  -1.053454618787	  -3.351640582439	  -3.136503906435
C 	   0.071261632719	  -2.970055377285	  -2.408914630899
C 	   1.305880040309	  -2.664094709090	  -2.972243209133
C 	   1.353325321206	  -2.568107965678	  -4.355210363866
H 	  -1.844106989892	  -3.513726303182	  -5.145945920511
H 	  -1.930333800231	  -3.806096266044	  -2.668159640054
H 	   2.185788745816	  -2.457230606236	  -2.365527659132
H 	   2.281711005514	  -2.269859774379	  -4.845353160028
O 	   0.501951788371	  -4.427221899502	  -0.904476262099
S 	  -0.636348548707	  -4.900883229184	  -0.054949322968
O 	  -0.289558401688	  -5.226122247160	   1.315176910811
O 	  -1.846568266508	  -4.071021245553	  -0.262996194605
C 	  -1.089619253320	  -6.513683590886	  -0.841357678939
F 	  -1.381133478777	  -6.334087441278	  -2.123895847689
F 	  -0.079943868231	  -7.364439319813	  -0.750151361306
F 	  -2.145627547726	  -7.033429875283	  -0.234418890046
28
TS_CO-PdL2 (VL_PAr3, r0 = 2.1, θ = 160), G = -5222.363290528569
Pd	  -1.072973886234	  -1.602394025909	  -1.220124443037
P 	  -3.034738048191	  -0.277690569818	  -0.762445454854
Cl	  -3.029692553835	   1.584234437610	  -1.723716329481
Cl	  -4.842626666954	  -1.096697116396	  -1.432483275111
Cl	  -3.526576275244	   0.282927992589	   1.195807175491
P 	   0.487079034290	  -0.768284031612	   0.340643009855
Cl	   2.557114835760	  -1.076856151260	   0.245880103933
Cl	   0.062959202925	  -1.170264102476	   2.352669594441
Cl	   0.413144040551	   1.327020985411	   0.356315898802
C 	   0.039984508469	  -3.204622546584	  -5.049507901810
Cl	   0.118192122852	  -3.411001890315	  -6.776777227817
C 	  -1.173403532336	  -3.366443886594	  -4.398891855147
C 	  -1.216540590256	  -3.215158751782	  -3.000913523407
C 	  -0.045829837003	  -2.821332746535	  -2.369082355093
C 	   1.200208292013	  -2.740473961901	  -2.971428145028
C 	   1.222835313023	  -2.911640695076	  -4.349677783154
H 	  -2.066188244946	  -3.679977238533	  -4.941520094014
H 	  -2.098271254463	  -3.542920194233	  -2.433725264517
H 	   2.106631008666	  -2.495528035798	  -2.421289430879
H 	   2.162404996618	  -2.794635758257	  -4.892340155036
O 	   0.189268006653	  -4.011792371069	  -0.480179892397
S 	  -0.881008081021	  -4.967762770598	  -0.043529785719
O 	  -0.720934811319	  -5.446105071716	   1.319016106940
O 	  -2.227008366341	  -4.554532927682	  -0.454564961074
C 	  -0.524362053446	  -6.448416561033	  -1.098512848156
F 	  -0.573479635134	  -6.131658362018	  -2.389458293967
F 	   0.682302959466	  -6.930745178648	  -0.833105197837
F 	  -1.420178975633	  -7.400248549169	  -0.867942412701
28
TS_CO-PdL2 (VL_PAr3, r0 = 2.1, θ = 170), G = -5222.357848263365
Pd	  -1.045931337103	  -1.613314818917	  -1.187369839382
P 	  -3.059148089002	  -0.316554927425	  -0.775304384241
Cl	  -3.038373833498	   1.543111511751	  -1.740942500123
Cl	  -4.859159115031	  -1.137490604142	  -1.463247844370
Cl	  -3.571994818186	   0.261486812621	   1.172688168152
P 	   0.523077987638	  -0.717412026399	   0.380654108551
Cl	   2.593408950733	  -1.035472146262	   0.335049813684
Cl	   0.065620828490	  -1.046127244582	   2.398646781712
Cl	   0.451977115151	   1.376652484806	   0.308703524437
C 	   0.032999195340	  -3.197899513354	  -5.043673162940
Cl	   0.095885224471	  -3.403957251930	  -6.771515777113
C 	  -1.175621177705	  -3.354864587214	  -4.382711464350
C 	  -1.205831023734	  -3.205221925156	  -2.984369489790
C 	  -0.028760966279	  -2.815013843655	  -2.362960544115
C 	   1.212914410651	  -2.745329241204	  -2.973978469725
C 	   1.222972318306	  -2.914324461477	  -4.353155921349
H 	  -2.072461851214	  -3.669082816324	  -4.917933799992
H 	  -2.078923499434	  -3.541422888451	  -2.408236662341
H 	   2.126845702429	  -2.512030829405	  -2.432565165415
H 	   2.159135665008	  -2.804306174321	  -4.903058974330
O 	   0.184764228455	  -4.031948718205	  -0.468778112933
S 	  -0.890664460891	  -4.990062135679	  -0.053610574110
O 	  -0.744471515764	  -5.489452680420	   1.303024342669
O 	  -2.232401326581	  -4.565672538594	  -0.468027163566
C 	  -0.534721489843	  -6.459249053654	  -1.125218334462
F 	  -0.569864808112	  -6.126475561546	  -2.412618925365
F 	   0.666131054499	  -6.953723723271	  -0.855393212690
F 	  -1.439091859850	  -7.407841177003	  -0.914981157274
28
TS_CO-PdL2 (VL_PAr3, r0 = 2.1, θ = 180), G = -5222.351537643309
Pd	  -1.024606470456	  -1.621061971136	  -1.110372064615
P 	  -3.139838776634	  -0.406701537020	  -0.710970302545
Cl	  -3.130596465391	   1.486408406323	  -1.610412874919
Cl	  -4.932085116853	  -1.220608472713	  -1.426901896634
Cl	  -3.659620595375	   0.117366503533	   1.250872486216
P 	   0.666175006049	  -0.605527780411	   0.340262528721
Cl	   2.714544361031	  -1.045083350245	   0.383725187050
Cl	   0.166292884033	  -0.698429141085	   2.373462352403
Cl	   0.711744283669	   1.472187067115	   0.063284204939
C 	   0.068186444744	  -3.201083093769	  -5.014461234442
Cl	   0.179022177868	  -3.397639389293	  -6.741134053256
C 	  -1.165181826026	  -3.327265228875	  -4.392046712197
C 	  -1.238443459775	  -3.190101135634	  -2.995970266122
C 	  -0.073392522837	  -2.837631753393	  -2.331762863534
C 	   1.188510734732	  -2.806130652222	  -2.903907952989
C 	   1.241968832175	  -2.961410076805	  -4.283842108489
H 	  -2.052899713523	  -3.607719357927	  -4.960120785407
H 	  -2.142917326168	  -3.491367644075	  -2.454460219710
H 	   2.089785165991	  -2.618399682982	  -2.326405955019
H 	   2.199649517643	  -2.882727365764	  -4.800838508267
O 	   0.013186228605	  -3.973357640763	  -0.465781327564
S 	  -1.013754926295	  -5.017941822000	  -0.112185636034
O 	  -0.876633361668	  -5.516456493427	   1.244543198518
O 	  -2.359213911013	  -4.681984359536	  -0.579692896610
C 	  -0.503624199134	  -6.441888763774	  -1.183692703634
F 	  -0.519701219278	  -6.097998664567	  -2.467447670762
F 	   0.721229146237	  -6.843251503535	  -0.873559688783
F 	  -1.339473383457	  -7.457195175431	  -1.011066977095
28
TS_CO-PdL2 (VL_PAr3, r0 = 2.1, θ = 190), G = -5222.332792750806
Pd	  -1.074290334690	  -1.561727514439	  -1.101859432133
P 	  -3.185950157674	  -0.286082801873	  -0.835591675441
Cl	  -3.071411332143	   1.587944912749	  -1.766468845008
Cl	  -4.969106701729	  -1.069863543601	  -1.604841163008
Cl	  -3.761515694122	   0.289715108111	   1.095928967946
P 	   0.632834742323	  -0.621150720518	   0.478420328754
Cl	   2.667098039310	  -1.112793502942	   0.564686540024
Cl	   0.057585822504	  -0.716797376285	   2.490944852559
Cl	   0.724000904637	   1.454954718906	   0.203592990158
C 	   0.011883524544	  -3.280638224695	  -4.969696707160
Cl	   0.095091033657	  -3.602642127382	  -6.678617219622
C 	  -1.204177599651	  -3.399973956764	  -4.312168707056
C 	  -1.248339259484	  -3.168784036073	  -2.927066145874
C 	  -0.083137568467	  -2.733329695575	  -2.318695900711
C 	   1.163243318840	  -2.703345708860	  -2.918284623610
C 	   1.192260142872	  -2.955910927620	  -4.285332077455
H 	  -2.089411288021	  -3.760216157943	  -4.836357606611
H 	  -2.120973539790	  -3.484791000669	  -2.339410420250
H 	   2.071858867284	  -2.458347364747	  -2.377373961240
H 	   2.136677086062	  -2.892544021324	  -4.828080583079
O 	   0.199199118090	  -4.062979765674	  -0.411382844975
S 	  -0.829229745665	  -5.093012555331	  -0.081769477974
O 	  -0.647036565777	  -5.738892530862	   1.208529352763
O 	  -2.190179156488	  -4.670455620237	  -0.424092900124
C 	  -0.484391161183	  -6.447732865219	  -1.301626841635
F 	  -0.502537801241	  -5.993668602659	  -2.552222760947
F 	   0.705511350929	  -6.992402986436	  -1.078134340492
F 	  -1.407244536067	  -7.397531211436	  -1.193913538561
