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	hartrees
Energy at 0K	-78.586629
Energy at 298.15K	-78.590462
HF Energy	-78.531721
Nuclear repulsion energy	36.797143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3188	13.27
2	A'	3092	3092	21.70
3	A'	3009	3009	21.61
4	A'	1570	1570	6.36
5	A'	1530	1530	0.36
6	A'	1483	1483	4.51
7	A'	1049	1049	0.94
8	A'	1029	1029	0.62
9	A'	455	455	62.84
10	A"	3293	3293	16.65
11	A"	3132	3132	18.65
12	A"	1579	1579	5.40
13	A"	1249	1249	3.61
14	A"	855	855	3.92
15	A"	119	119	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.701	0.000
C2	-0.011	0.801	0.000
H3	1.013	-1.107	0.000
H4	-0.513	-1.098	0.887
H5	-0.513	-1.098	-0.887
H6	0.071	1.352	-0.927
H7	0.071	1.352	0.927

	C1	C2	H3	H4	H5	H6	H7
C1		1.5014	1.1015	1.0943	1.0943	2.2537	2.2537
C2	1.5014		2.1650	2.1551	2.1551	1.0819	1.0819
H3	1.1015	2.1650		1.7656	1.7656	2.7915	2.7915
H4	1.0943	2.1551	1.7656		1.7744	3.1040	2.5186
H5	1.0943	2.1551	1.7656	1.7744		2.5186	3.1040
H6	2.2537	1.0819	2.7915	3.1040	2.5186		1.8550
H7	2.2537	1.0819	2.7915	2.5186	3.1040	1.8550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.615	C1	C2	H7	120.615
C2	C1	H3	111.639	C2	C1	H4	111.280
C2	C1	H5	111.280	H3	C1	H4	107.044
H3	C1	H5	107.044	H4	C1	H5	108.340
H6	C2	H7	118.026

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

using model chemistry: B2PLYP/3-21G*

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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Number	Element	Mulliken
1	C	-0.607
2	C	-0.353
3	H	0.200
4	H	0.198
5	H	0.198
6	H	0.181
7	H	0.181

	x	y	z	Total
	0.143	-0.192	0.000	0.239
CHELPG
AIM
ESP

	x	y	z
x	2.100	-0.003	0.000
y	-0.003	3.343	0.000
z	0.000	0.000	2.997

<r²>	27.857
(<r²>)^1/2	5.278

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

using model chemistry: B2PLYP/3-21G*

States and conformations

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