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	hartrees
Energy at 0K	-79.037798
Energy at 298.15K	-79.041576
HF Energy	-79.037798
Nuclear repulsion energy	36.757582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3103	3061	15.72
2	A'	2997	2956	23.52
3	A'	2897	2857	27.80
4	A'	1447	1427	2.44
5	A'	1431	1411	2.90
6	A'	1358	1340	1.56
7	A'	1067	1052	0.19
8	A'	946	933	1.12
9	A'	462	456	51.07
10	A"	3205	3161	16.60
11	A"	3048	3007	19.38
12	A"	1446	1426	4.13
13	A"	1157	1141	2.93
14	A"	791	780	3.43
15	A"	119	117	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.693	0.000
C2	-0.011	0.795	0.000
H3	1.019	-1.115	0.000
H4	-0.510	-1.107	0.893
H5	-0.510	-1.107	-0.893
H6	0.065	1.357	-0.934
H7	0.065	1.357	0.934

	C1	C2	H3	H4	H5	H6	H7
C1		1.4878	1.1126	1.1036	1.1036	2.2540	2.2540
C2	1.4878		2.1694	2.1593	2.1593	1.0926	1.0926
H3	1.1126	2.1694		1.7704	1.7704	2.8091	2.8091
H4	1.1036	2.1593	1.7704		1.7863	3.1207	2.5304
H5	1.1036	2.1593	1.7704	1.7863		2.5304	3.1207
H6	2.2540	1.0926	2.8091	3.1207	2.5304		1.8673
H7	2.2540	1.0926	2.8091	2.5304	3.1207	1.8673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.974	C1	C2	H7	120.974
C2	C1	H3	112.274	C2	C1	H4	112.022
C2	C1	H5	112.022	H3	C1	H4	106.039
H3	C1	H5	106.039	H4	C1	H5	108.053
H6	C2	H7	117.425

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

using model chemistry: PBEPBE/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	-0.385
2	C	-0.244
3	H	0.135
4	H	0.132
5	H	0.132
6	H	0.115
7	H	0.115

	x	y	z	Total
	0.126	-0.264	0.000	0.292
CHELPG
AIM
ESP

	x	y	z
x	2.471	-0.030	0.000
y	-0.030	3.894	0.000
z	0.000	0.000	3.323

<r²>	27.740
(<r²>)^1/2	5.267

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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