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	hartrees
Energy at 0K	-79.134232
Energy at 298.15K	-79.138001
HF Energy	-79.134232
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3188	16.03
2	A'	3095	3095	26.63
3	A'	3003	3003	27.53
4	A'	1507	1507	3.52
5	A'	1487	1487	2.63
6	A'	1419	1419	1.73
7	A'	1085	1085	0.09
8	A'	987	987	0.62
9	A'	447	447	54.94
10	A"	3295	3295	17.23
11	A"	3144	3144	22.47
12	A"	1501	1501	4.65
13	A"	1203	1203	2.78
14	A"	823	823	2.64
15	A"	100	100	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.693	0.000
C2	-0.011	0.794	0.000
H3	1.012	-1.103	0.000
H4	-0.509	-1.099	0.887
H5	-0.509	-1.099	-0.887
H6	0.071	1.348	-0.928
H7	0.071	1.348	0.928

	C1	C2	H3	H4	H5	H6	H7
C1		1.4871	1.1023	1.0947	1.0947	2.2441	2.2441
C2	1.4871		2.1556	2.1487	2.1487	1.0844	1.0844
H3	1.1023	2.1556		1.7603	1.7603	2.7854	2.7854
H4	1.0947	2.1487	1.7603		1.7734	3.1015	2.5153
H5	1.0947	2.1487	1.7603	1.7734		2.5153	3.1015
H6	2.2441	1.0844	2.7854	3.1015	2.5153		1.8567
H7	2.2441	1.0844	2.7854	2.5153	3.1015	1.8567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.745	C1	C2	H7	120.745
C2	C1	H3	111.850	C2	C1	H4	111.760
C2	C1	H5	111.760	H3	C1	H4	106.489
H3	C1	H5	106.489	H4	C1	H5	108.185
H6	C2	H7	117.767

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

using model chemistry: wB97X-D/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	-0.386
2	C	-0.273
3	H	0.136
4	H	0.134
5	H	0.134
6	H	0.127
7	H	0.127

	x	y	z	Total
	0.136	-0.226	0.000	0.264
CHELPG
AIM
ESP

	x	y	z
x	2.439	-0.010	0.000
y	-0.010	3.690	0.000
z	0.000	0.000	3.274

<r²>	27.534
(<r²>)^1/2	5.247

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

using model chemistry: wB97X-D/6-31G**

States and conformations

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