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	hartrees
Energy at 0K	-79.111362
Energy at 298.15K
HF Energy	-78.992809
Nuclear repulsion energy	37.073221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3174	13.40
2	A'	3072	3072	19.76
3	A'	2985	2985	22.52
4	A'	1500	1500	3.13
5	A'	1484	1484	2.75
6	A'	1415	1415	1.78
7	A'	1076	1076	0.06
8	A'	989	989	0.63
9	A'	488	488	56.41
10	A"	3277	3277	11.31
11	A"	3117	3117	18.44
12	A"	1499	1499	5.88
13	A"	1206	1206	1.98
14	A"	818	818	1.54
15	A"	112	112	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.692	0.000
C2	-0.010	0.792	0.000
H3	1.009	-1.098	0.000
H4	-0.504	-1.096	0.883
H5	-0.504	-1.096	-0.883
H6	0.059	1.346	-0.922
H7	0.059	1.346	0.922

	C1	C2	H3	H4	H5	H6	H7
C1		1.4834	1.0972	1.0893	1.0893	2.2379	2.2379
C2	1.4834		2.1472	2.1417	2.1417	1.0782	1.0782
H3	1.0972	2.1472		1.7516	1.7516	2.7799	2.7799
H4	1.0893	2.1417	1.7516		1.7652	3.0886	2.5068
H5	1.0893	2.1417	1.7516	1.7652		2.5068	3.0886
H6	2.2379	1.0782	2.7799	3.0886	2.5068		1.8442
H7	2.2379	1.0782	2.7799	2.5068	3.0886	1.8442

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.953	C1	C2	H7	120.953
C2	C1	H3	111.749	C2	C1	H4	111.797
C2	C1	H5	111.797	H3	C1	H4	106.472
H3	C1	H5	106.472	H4	C1	H5	108.245
H6	C2	H7	117.559

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

using model chemistry: B2PLYP=FULLultrafine/6-311+G(3df,2p)

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: B2PLYP=FULLultrafine/6-311+G(3df,2p)

States and conformations

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