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	hartrees
Energy at 0K	-78.171256
Energy at 298.15K	-78.174982
HF Energy	-78.171256
Nuclear repulsion energy	36.343136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3332	3332	3.85
2	A'	3316	3316	2.43
3	A'	3187	3187	3.18
4	A'	1639	1639	3.18
5	A'	1574	1574	4.93
6	A'	1537	1537	0.12
7	A'	1113	1113	0.17
8	A'	1063	1063	1.23
9	A'	419	419	21.47
10	A"	3484	3484	3.32
11	A"	3389	3389	2.27
12	A"	1649	1649	2.61
13	A"	1271	1271	4.63
14	A"	854	854	1.86
15	A"	153	153	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	-0.020	-0.707	0.000
C2	-0.020	0.811	0.000
H3	1.014	-1.123	0.000
H4	-0.531	-1.107	0.899
H5	-0.531	-1.107	-0.899
H6	0.143	1.359	-0.941
H7	0.143	1.359	0.941

	C1	C2	H3	H4	H5	H6	H7
C1		1.5178	1.1149	1.1083	1.1083	2.2764	2.2764
C2	1.5178		2.1930	2.1785	2.1785	1.1013	1.1013
H3	1.1149	2.1930		1.7878	1.7878	2.7939	2.7939
H4	1.1083	2.1785	1.7878		1.7970	3.1497	2.5572
H5	1.1083	2.1785	1.7878	1.7970		2.5572	3.1497
H6	2.2764	1.1013	2.7939	3.1497	2.5572		1.8818
H7	2.2764	1.1013	2.7939	2.5572	3.1497	1.8818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	119.874	C1	C2	H7	119.874
C2	C1	H3	111.907	C2	C1	H4	111.150
C2	C1	H5	111.150	H3	C1	H4	107.050
H3	C1	H5	107.050	H4	C1	H5	108.324
H6	C2	H7	117.373

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

using model chemistry: B97D3/STO-3G

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	-0.223
2	C	-0.121
3	H	0.075
4	H	0.076
5	H	0.076
6	H	0.059
7	H	0.059

	x	y	z	Total
	0.152	-0.166	0.000	0.225
CHELPG
AIM
ESP

	x	y	z
x	1.118	0.027	0.000
y	0.027	1.871	0.000
z	0.000	0.000	1.657

<r²>	27.588
(<r²>)^1/2	5.252

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

using model chemistry: B97D3/STO-3G

States and conformations

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