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	hartrees
Energy at 0K	-79.081468
Energy at 298.15K	-79.085306
HF Energy	-79.081468
Nuclear repulsion energy	36.971344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3193	3045	16.97
2	A'	3094	2950	28.05
3	A'	2995	2856	28.64
4	A'	1529	1458	7.51
5	A'	1505	1435	1.10
6	A'	1456	1389	5.63
7	A'	1105	1054	0.24
8	A'	1016	969	1.66
9	A'	499	476	70.68
10	A"	3304	3151	22.89
11	A"	3145	3000	22.71
12	A"	1533	1462	7.06
13	A"	1226	1169	3.78
14	A"	842	803	4.70
15	A"	104	99	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.009	-0.692	0.000
C2	-0.009	0.792	0.000
H3	1.013	-1.106	0.000
H4	-0.506	-1.099	0.885
H5	-0.506	-1.099	-0.885
H6	0.051	1.351	-0.926
H7	0.051	1.351	0.926

	C1	C2	H3	H4	H5	H6	H7
C1		1.4843	1.1024	1.0939	1.0939	2.2435	2.2435
C2	1.4843		2.1558	2.1468	2.1468	1.0832	1.0832
H3	1.1024	2.1558		1.7579	1.7579	2.7962	2.7962
H4	1.0939	2.1468	1.7579		1.7706	3.0973	2.5125
H5	1.0939	2.1468	1.7579	1.7706		2.5125	3.0973
H6	2.2435	1.0832	2.7962	3.0973	2.5125		1.8529
H7	2.2435	1.0832	2.7962	2.5125	3.0973	1.8529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	121.018	C1	C2	H7	121.018
C2	C1	H3	112.059	C2	C1	H4	111.859
C2	C1	H5	111.859	H3	C1	H4	106.337
H3	C1	H5	106.337	H4	C1	H5	108.049
H6	C2	H7	117.575

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

using model chemistry: B1B95/6-31G

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	-0.502
2	C	-0.290
3	H	0.169
4	H	0.166
5	H	0.166
6	H	0.146
7	H	0.146

	x	y	z	Total
	0.121	-0.255	0.000	0.283
CHELPG
AIM
ESP

	x	y	z
x	2.277	-0.034	0.000
y	-0.034	3.579	0.000
z	0.000	0.000	3.149

<r²>	27.537
(<r²>)^1/2	5.248

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

using model chemistry: B1B95/6-31G

States and conformations

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