R\-(C-C)	A\-(CCH)	R\-(C-O)	A\-(CCO)	Energy	Filenumber		Energy	
Å	degrees	Å	degrees	H	H		eV	eV
				S\-(0)	S\-(1)		S\-(0)	S\-(1)
1.50466165	115.12520545	1.109	124.49479455	-153.11259473	-152.9465862		0.0874919980779545	4.60481651131993
1.3	115.01831695	1.11462243	126.99912521	-153.07597897	-152.9078331	1	1.08385808974244	5.65934261666015
1.5	115.44210392	1.11046361	124.75412875	-153.11255101	-152.94818008	2	0.0886816804861681	4.56144480508867
1.7	114.42956034	1.10723921	123.59623965	-153.10370269	-152.94206023	3	0.329456855334126	4.72797449137802
1.9	113.30986916	1.10476694	122.99102663	-153.08070836	-152.92608477	4	0.955164766696596	5.1626891236226
2.1	112.27182511	1.10269171	122.85934876	-153.05602591	-152.91380671	5	1.6268087866266	5.49679232550659
2.3	111.5016866	1.10088736	122.99300731	-153.03441095	-152.90783696		2.21498210917043	5.65923758065636
2.5	111.27472316	1.10087739	122.43396262	-153.01718572	-152.90603096		2.68370473279266	5.70838136905602
2.7	115.29667553	1.10266191	119.12288535	-153.00313765	-152.90324463		3.06597238478992	5.78420130921858
2.9	110.96442897	1.10450197	124.1609251	-152.99553962	-152.90373314		3.27272541833261	5.7709082682039
3.1	108.00586032	1.10215575	127.19984241	-152.98981341	-152.90441741		3.42854360912599	5.75228832352607
3.3	109.62642629	1.09744424	125.71497395	-152.98631332	-152.90297162		3.52378595815246	5.7916302935326
3.5	109.41592241	1.09493351	126.14361915	-152.98420845	-152.90339977		3.58106241766998	5.77997973262248
3.7	107.43350814	1.09469091	128.26229641	-152.9828841	-152.90310485		3.6170998352601	5.78800491871014
3.9	108.01635312	1.09472208	127.73742421	-152.98210497	-152.90293767		3.63830105334243	5.79255412056228
4.1	106.08545954	1.09463059	129.71421813	-152.98165276	-152.90280791		3.65060632053621	5.79608507182609
4.3	90.59253717	1.09467334	145.22672757	-152.98140371	-152.90271601		3.65738331970642	5.79858579948612
4.5	56.19684715	1.09464869	180.38824449	-152.98137169	-152.90283149		3.6582546287342	5.79544342701398
4.7	64.00360292	1.09609195	169.07126682	-152.98105826	-152.90586637		3.66678349783635	5.71286009338194
4.9	55.32877564	1.09492011	180.79979834	-152.98116346	-152.90417711		3.66392085855615	5.75882722294612
5.1	58.6659109	1.0807607	181.27767434	-152.98067115	-152.89950534		3.67731730289011	5.88595262512455
5.3	62.09176922	1.09399035	186.40605712	-152.98102678	-152.90275445		3.66764011270808	5.79753979327019
5.3	55.11683836	1.09433501	180.15063014	-152.99003494	-152.9059602	6	3.42251546768464	5.71030684772002
5.5	61.20632469	1.09317575	191.76487742	-152.98954096	-152.90854391	7	3.4359573550563	5.64000048142651
5.7	55.93748493	1.09474297	181.48762419	-152.98981188	-152.90591585	8	3.42858524256854	5.71151367330991
5.9	55.25065474	1.09397311	180.33964435	-152.9899426	-152.90583335	9	3.42502816836011	5.71375861381043
6.1	55.19561023	1.09407794	180.28921564	-152.98992764	-152.90586604	10	3.42543525090454	5.71286907314411
6.3	55.36611095	1.09408261	179.51433746	-152.98991495	-152.90584494		3.42578056356992	5.71344323368405
6.5	55.33856966	1.09408031	179.55135412	-152.98990525	-152.90582469		3.42604451415049	5.71399426453421
6.7	55.30546712	1.09407839	179.59648305	-152.98989746	-152.90580601		3.42625649095605	5.7145025734865
6.9	55.2558175	1.09407648	179.65639303	-152.98989107	-152.90579748		3.42643037180232	5.71473468672856