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	hartrees
Energy at 0K	-78.609274
Energy at 298.15K	-78.613240
HF Energy	-78.609274
Nuclear repulsion energy	36.989260

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3276	2967	17.20
2	A'	3196	2894	37.44
3	A'	3127	2832	35.95
4	A'	1602	1451	3.02
5	A'	1585	1435	1.69
6	A'	1524	1380	0.02
7	A'	1101	997	0.30
8	A'	1069	968	0.15
9	A'	472	428	40.44
10	A"	3378	3059	23.44
11	A"	3232	2926	31.93
12	A"	1606	1454	2.86
13	A"	1295	1173	2.02
14	A"	859	777	0.78
15	A"	176	159	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	-0.698	0.000
C2	-0.017	0.799	0.000
H3	0.997	-1.101	0.000
H4	-0.518	-1.093	0.879
H5	-0.518	-1.093	-0.879
H6	0.121	1.342	-0.918
H7	0.121	1.342	0.918

	C1	C2	H3	H4	H5	H6	H7
C1		1.4976	1.0912	1.0859	1.0859	2.2417	2.2417
C2	1.4976		2.1539	2.1456	2.1456	1.0755	1.0755
H3	1.0912	2.1539		1.7519	1.7519	2.7531	2.7531
H4	1.0859	2.1456	1.7519		1.7574	3.0929	2.5176
H5	1.0859	2.1456	1.7519	1.7574		2.5176	3.0929
H6	2.2417	1.0755	2.7531	3.0929	2.5176		1.8367
H7	2.2417	1.0755	2.7531	2.5176	3.0929	1.8367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.305	C1	C2	H7	120.305
C2	C1	H3	111.652	C2	C1	H4	111.305
C2	C1	H5	111.305	H3	C1	H4	107.165
H3	C1	H5	107.165	H4	C1	H5	108.031
H6	C2	H7	117.260

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.399
2	C	-0.304
3	H	0.138
4	H	0.140
5	H	0.140
6	H	0.143
7	H	0.143

	x	y	z	Total
	0.175	-0.143	0.000	0.226
CHELPG
AIM
ESP

	x	y	z
x	2.568	0.043	0.000
y	0.043	3.536	0.000
z	0.000	0.000	3.242

<r²>	27.635
(<r²>)^1/2	5.257

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

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

States and conformations

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