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	hartrees
Energy at 0K	-78.949914
Energy at 298.15K	-78.953781
HF Energy	-78.609059
Nuclear repulsion energy	36.876457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3031	10.65
2	A'	3116	2952	20.16
3	A'	3036	2877	20.30
4	A'	1516	1436	3.44
5	A'	1496	1418	1.53
6	A'	1433	1358	0.59
7	A'	1078	1021	0.04
8	A'	1003	951	0.28
9	A'	459	435	46.12
10	A"	3304	3131	11.04
11	A"	3159	2992	17.13
12	A"	1520	1440	3.56
13	A"	1217	1153	2.22
14	A"	817	774	1.47
15	A"	147	140	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	-0.697	0.000
C2	-0.013	0.798	0.000
H3	1.008	-1.105	0.000
H4	-0.514	-1.099	0.885
H5	-0.514	-1.099	-0.885
H6	0.091	1.350	-0.925
H7	0.091	1.350	0.925

	C1	C2	H3	H4	H5	H6	H7
C1		1.4953	1.0994	1.0931	1.0931	2.2491	2.2491
C2	1.4953		2.1597	2.1519	2.1519	1.0824	1.0824
H3	1.0994	2.1597		1.7602	1.7602	2.7793	2.7793
H4	1.0931	2.1519	1.7602		1.7700	3.1045	2.5223
H5	1.0931	2.1519	1.7602	1.7700		2.5223	3.1045
H6	2.2491	1.0824	2.7793	3.1045	2.5223		1.8505
H7	2.2491	1.0824	2.7793	2.5223	3.1045	1.8505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.661	C1	C2	H7	120.661
C2	C1	H3	111.777	C2	C1	H4	111.534
C2	C1	H5	111.534	H3	C1	H4	106.804
H3	C1	H5	106.804	H4	C1	H5	108.126
H6	C2	H7	117.478

All results from a given calculation for C₂H₅ (Ethyl radical)

using model chemistry: QCISD/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C2H5 (Ethyl radical)

using model chemistry: QCISD/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₅ (Ethyl radical)