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	hartrees
Energy at 0K	-14.258065
Energy at 298.15K	-14.261837
HF Energy	-14.258065
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3145	3145	23.10
2	A'	3068	3068	37.66
3	A'	2984	2984	37.89
4	A'	1504	1504	6.29
5	A'	1480	1480	2.46
6	A'	1413	1413	1.53
7	A'	1065	1065	0.04
8	A'	980	980	0.51
9	A'	431	431	73.23
10	A"	3250	3250	31.41
11	A"	3112	3112	33.96
12	A"	1503	1503	6.03
13	A"	1193	1193	2.03
14	A"	810	810	2.13
15	A"	115	115	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.700	0.000
C2	-0.011	0.800	0.000
H3	1.015	-1.107	0.000
H4	-0.510	-1.104	0.889
H5	-0.510	-1.104	-0.889
H6	0.068	1.356	-0.931
H7	0.068	1.356	0.931

	C1	C2	H3	H4	H5	H6	H7
C1		1.5002	1.1043	1.0968	1.0968	2.2587	2.2587
C2	1.5002		2.1663	2.1600	2.1600	1.0874	1.0874
H3	1.1043	2.1663		1.7658	1.7658	2.7992	2.7992
H4	1.0968	2.1600	1.7658		1.7782	3.1146	2.5277
H5	1.0968	2.1600	1.7658	1.7782		2.5277	3.1146
H6	2.2587	1.0874	2.7992	3.1146	2.5277		1.8621
H7	2.2587	1.0874	2.7992	2.5277	3.1146	1.8621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.760	C1	C2	H7	120.760
C2	C1	H3	111.658	C2	C1	H4	111.614
C2	C1	H5	111.614	H3	C1	H4	106.684
H3	C1	H5	106.684	H4	C1	H5	108.317
H6	C2	H7	117.795

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

using model chemistry: wB97X-D/CEP-121G*

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	-0.497
2	C	-0.396
3	H	0.180
4	H	0.179
5	H	0.179
6	H	0.178
7	H	0.178

	x	y	z	Total
	0.155	-0.260	0.000	0.303
CHELPG
AIM
ESP

	x	y	z
x	2.940	-0.034	0.000
y	-0.034	4.033	0.000
z	0.000	0.000	3.526

<r²>	25.656
(<r²>)^1/2	5.065

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

using model chemistry: wB97X-D/CEP-121G*

States and conformations

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