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	hartrees
Energy at 0K	-78.909246
Energy at 298.15K	-78.913093
HF Energy	-78.603600
Nuclear repulsion energy	36.580437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3003	12.80
2	A'	3096	2933	25.68
3	A'	3013	2854	27.26
4	A'	1488	1409	1.49
5	A'	1472	1394	3.31
6	A'	1404	1330	0.15
7	A'	1083	1026	0.05
8	A'	988	936	0.19
9	A'	444	421	42.69
10	A"	3277	3104	14.33
11	A"	3140	2975	21.47
12	A"	1483	1405	3.67
13	A"	1198	1135	1.90
14	A"	806	764	1.18
15	A"	147	140	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	-0.701	0.000
C2	-0.014	0.801	0.000
H3	1.019	-1.112	0.000
H4	-0.520	-1.105	0.895
H5	-0.520	-1.105	-0.895
H6	0.093	1.359	-0.937
H7	0.093	1.359	0.937

	C1	C2	H3	H4	H5	H6	H7
C1		1.5017	1.1117	1.1053	1.1053	2.2656	2.2656
C2	1.5017		2.1741	2.1660	2.1660	1.0961	1.0961
H3	1.1117	2.1741		1.7807	1.7807	2.8007	2.8007
H4	1.1053	2.1660	1.7807		1.7904	3.1316	2.5398
H5	1.1053	2.1660	1.7807	1.7904		2.5398	3.1316
H6	2.2656	1.0961	2.8007	3.1316	2.5398		1.8747
H7	2.2656	1.0961	2.8007	2.5398	3.1316	1.8747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.609	C1	C2	H7	120.609
C2	C1	H3	111.727	C2	C1	H4	111.469
C2	C1	H5	111.469	H3	C1	H4	106.875
H3	C1	H5	106.875	H4	C1	H5	108.176
H6	C2	H7	117.554

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

using model chemistry: CCSD/cc-pVDZ

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: CCSD/cc-pVDZ

States and conformations

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