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	hartrees
Energy at 0K	-79.086560
Energy at 298.15K	-79.090365
HF Energy	-79.086560
Nuclear repulsion energy	37.071187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	3160	13.55
2	A'	3063	3063	19.04
3	A'	2975	2975	23.31
4	A'	1478	1478	3.14
5	A'	1461	1461	3.29
6	A'	1392	1392	2.94
7	A'	1085	1085	0.10
8	A'	974	974	0.60
9	A'	492	492	57.63
10	A"	3262	3262	11.60
11	A"	3109	3109	16.90
12	A"	1476	1476	6.60
13	A"	1189	1189	2.32
14	A"	809	809	2.15
15	A"	101	101	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.009	-0.689	0.000
C2	-0.009	0.789	0.000
H3	1.011	-1.099	0.000
H4	-0.504	-1.097	0.884
H5	-0.504	-1.097	-0.884
H6	0.055	1.347	-0.925
H7	0.055	1.347	0.925

	C1	C2	H3	H4	H5	H6	H7
C1		1.4789	1.1000	1.0920	1.0920	2.2372	2.2372
C2	1.4789		2.1467	2.1412	2.1412	1.0815	1.0815
H3	1.1000	2.1467		1.7544	1.7544	2.7842	2.7842
H4	1.0920	2.1412	1.7544		1.7687	3.0913	2.5070
H5	1.0920	2.1412	1.7544	1.7687		2.5070	3.0913
H6	2.2372	1.0815	2.7842	3.0913	2.5070		1.8493
H7	2.2372	1.0815	2.7842	2.5070	3.0913	1.8493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	121.017	C1	C2	H7	121.017
C2	C1	H3	111.858	C2	C1	H4	111.910
C2	C1	H5	111.910	H3	C1	H4	106.333
H3	C1	H5	106.333	H4	C1	H5	108.159
H6	C2	H7	117.511

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

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

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	-0.264
2	C	-0.394
3	H	0.136
4	H	0.129
5	H	0.129
6	H	0.132
7	H	0.132

	x	y	z	Total
	0.122	-0.299	0.000	0.322
CHELPG
AIM
ESP

	x	y	z
x	3.791	-0.059	0.000
y	-0.059	4.575	0.000
z	0.000	0.000	3.813

<r²>	27.678
(<r²>)^1/2	5.261

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

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

States and conformations

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