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	128.0051636	1.12607812	119.79362512	-153.04537938	-152.93769418	1	1.9165157730679	4.84678082434845
1.5	126.65915582	1.11168889	117.65855692	-153.08433827	-152.97227673	2	0.856389833722575	3.90574122327817
1.7	124.92985914	1.10496838	115.87256589	-153.07804666	-152.96241683		1.02759335007594	4.17404290613842
1.9	121.17397135	1.1013142	113.92821371	-153.06088471	-152.94117833		1.494594036306	4.75197222503791
2.1	71.05870101	1.10356083	103.20167572	-152.94908432	-152.94344257		4.53683916875236	4.69035908470223
2.3	65.08562845	1.06270756	105.46802801	-152.94409361	-152.93134595		4.67264337484601	5.01952505017007
2.5	68.94877697	1.11571347	108.69751151	-152.95526403	-152.9498226		4.36868060805842	4.51674953636016
2.7	68.86083617	1.10329005	109.20533993	-152.95181978	-152.95001659		4.46240347250845	4.51147079687456
2.9	65.75160793	1.07359466	112.02146949	-152.94662473	-152.94514533		4.60376805607838	4.64402460123821
3.1	66.28333199	1.09821754	114.34350663	-152.94679845	-152.94465999		4.59904089167059	4.65723138211453
3.3	63.74043589	1.09487548	118.09594326	-152.94494593	-152.94247825		4.64945055439859	4.71659958195046
3.5	61.2427271	1.09569263	118.98371929	-152.94232072	-152.94198996	3	4.72088619379234	4.72988663645626
3.7	54.12612904	1.09534455	126.16043076	-152.94139902	-152.94051144		4.74596694117213	4.77011923558443