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	hartrees
Energy at 0K	-79.102446
Energy at 298.15K	-79.106275
HF Energy	-78.994858
Nuclear repulsion energy	37.053543

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3175	3046	14.59
2	A'	3072	2947	22.10
3	A'	2985	2864	24.61
4	A'	1498	1437	2.39
5	A'	1484	1424	3.02
6	A'	1413	1355	1.54
7	A'	1073	1030	0.05
8	A'	990	950	0.47
9	A'	481	461	51.67
10	A"	3277	3144	13.26
11	A"	3117	2990	20.19
12	A"	1497	1436	4.97
13	A"	1207	1158	2.13
14	A"	818	785	1.61
15	A"	113	109	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.692	0.000
C2	-0.010	0.792	0.000
H3	1.009	-1.100	0.000
H4	-0.505	-1.096	0.883
H5	-0.505	-1.096	-0.883
H6	0.062	1.346	-0.923
H7	0.062	1.346	0.923

	C1	C2	H3	H4	H5	H6	H7
C1		1.4848	1.0975	1.0897	1.0897	2.2384	2.2384
C2	1.4848		2.1490	2.1426	2.1426	1.0783	1.0783
H3	1.0975	2.1490		1.7526	1.7526	2.7800	2.7800
H4	1.0897	2.1426	1.7526		1.7658	3.0894	2.5071
H5	1.0897	2.1426	1.7526	1.7658		2.5071	3.0894
H6	2.2384	1.0783	2.7800	3.0894	2.5071		1.8455
H7	2.2384	1.0783	2.7800	2.5071	3.0894	1.8455

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.873	C1	C2	H7	120.873
C2	C1	H3	111.776	C2	C1	H4	111.747
C2	C1	H5	111.747	H3	C1	H4	106.516
H3	C1	H5	106.516	H4	C1	H5	108.236
H6	C2	H7	117.679

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

using model chemistry: B2PLYP/cc-pVTZ

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	-0.257
2	C	-0.291
3	H	0.099
4	H	0.100
5	H	0.100
6	H	0.124
7	H	0.124

	x	y	z
x	3.151	-0.025	0.000
y	-0.025	4.264	0.000
z	0.000	0.000	3.623

<r²>	27.712
(<r²>)^1/2	5.264

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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