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	hartrees
Energy at 0K	-79.116109
Energy at 298.15K	-79.119849
HF Energy	-79.116109
Nuclear repulsion energy	36.778582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3107	3053	20.63
2	A'	2995	2944	30.73
3	A'	2901	2851	35.37
4	A'	1458	1433	3.34
5	A'	1441	1416	3.25
6	A'	1373	1349	1.46
7	A'	1053	1035	0.11
8	A'	954	937	0.86
9	A'	473	464	67.91
10	A"	3208	3153	20.75
11	A"	3046	2993	27.26
12	A"	1457	1432	5.89
13	A"	1168	1148	2.13
14	A"	799	786	2.75
15	A"	87	86	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.695	0.000
C2	-0.010	0.796	0.000
H3	1.019	-1.110	0.000
H4	-0.507	-1.105	0.892
H5	-0.507	-1.105	-0.892
H6	0.057	1.356	-0.932
H7	0.057	1.356	0.932

	C1	C2	H3	H4	H5	H6	H7
C1		1.4912	1.1091	1.1003	1.1003	2.2542	2.2542
C2	1.4912		2.1660	2.1582	2.1582	1.0894	1.0894
H3	1.1091	2.1660		1.7675	1.7675	2.8067	2.8067
H4	1.1003	2.1582	1.7675		1.7832	3.1149	2.5256
H5	1.1003	2.1582	1.7675	1.7832		2.5256	3.1149
H6	2.2542	1.0894	2.8067	3.1149	2.5256		1.8640
H7	2.2542	1.0894	2.8067	2.5256	3.1149	1.8640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.944	C1	C2	H7	120.944
C2	C1	H3	111.975	C2	C1	H4	111.883
C2	C1	H5	111.883	H3	C1	H4	106.253
H3	C1	H5	106.253	H4	C1	H5	108.253
H6	C2	H7	117.631

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

using model chemistry: B97D3/6-31+G**

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	-0.509
2	C	-0.282
3	H	0.163
4	H	0.161
5	H	0.161
6	H	0.153
7	H	0.153

	x	y	z	Total
	0.136	-0.328	0.000	0.355
CHELPG
AIM
ESP

	x	y	z
x	3.370	-0.073	0.000
y	-0.073	4.350	0.000
z	0.000	0.000	3.501

<r²>	28.055
(<r²>)^1/2	5.297

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

using model chemistry: B97D3/6-31+G**

States and conformations

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