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	hartrees
Energy at 0K	-13.835130
Energy at 298.15K	-13.839052
HF Energy	-13.835130
Nuclear repulsion energy	22.409600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3312	2974	27.68
2	A'	3252	2920	65.93
3	A'	3184	2859	56.42
4	A'	1611	1447	4.58
5	A'	1591	1429	1.71
6	A'	1524	1369	0.38
7	A'	1111	997	0.37
8	A'	1067	958	0.67
9	A'	452	406	76.00
10	A"	3411	3063	58.53
11	A"	3285	2950	54.95
12	A"	1615	1450	3.55
13	A"	1285	1154	2.08
14	A"	846	759	0.89
15	A"	168	151	1.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	-0.709	0.000
C2	-0.017	0.809	0.000
H3	1.004	-1.110	0.000
H4	-0.523	-1.101	0.885
H5	-0.523	-1.101	-0.885
H6	0.125	1.355	-0.925
H7	0.125	1.355	0.925

	C1	C2	H3	H4	H5	H6	H7
C1		1.5182	1.0968	1.0920	1.0920	2.2666	2.2666
C2	1.5182		2.1739	2.1650	2.1650	1.0835	1.0835
H3	1.0968	2.1739		1.7647	1.7647	2.7761	2.7761
H4	1.0920	2.1650	1.7647		1.7693	3.1190	2.5408
H5	1.0920	2.1650	1.7647	1.7693		2.5408	3.1190
H6	2.2666	1.0835	2.7761	3.1190	2.5408		1.8498
H7	2.2666	1.0835	2.7761	2.5408	3.1190	1.8498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.277	C1	C2	H7	120.277
C2	C1	H3	111.453	C2	C1	H4	111.035
C2	C1	H5	111.035	H3	C1	H4	107.463
H3	C1	H5	107.463	H4	C1	H5	108.222
H6	C2	H7	117.209

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

using model chemistry: HF/CEP-31G*

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	-0.251
2	C	-0.402
3	H	0.110
4	H	0.112
5	H	0.112
6	H	0.160
7	H	0.160

	x	y	z	Total
	0.272	-0.196	0.000	0.335
CHELPG
AIM
ESP

	x	y	z
x	2.346	-0.002	0.000
y	-0.002	3.449	0.000
z	0.000	0.000	2.835

<r²>	25.750
(<r²>)^1/2	5.074

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

using model chemistry: HF/CEP-31G*

States and conformations

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