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	hartrees
Energy at 0K	-78.268468
Energy at 298.15K	-78.272282
HF Energy	-78.268468
Nuclear repulsion energy	36.893579

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3096	3045	8.90
2	A'	2990	2941	13.00
3	A'	2873	2826	15.76
4	A'	1476	1452	9.82
5	A'	1448	1424	1.46
6	A'	1391	1368	13.91
7	A'	1087	1069	0.76
8	A'	975	959	4.35
9	A'	496	488	81.60
10	A"	3202	3149	9.05
11	A"	3044	2994	9.46
12	A"	1485	1460	9.39
13	A"	1181	1162	5.81
14	A"	823	810	9.10
15	A"	105	103	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.686	0.000
C2	-0.010	0.788	0.000
H3	1.025	-1.107	0.000
H4	-0.507	-1.100	0.897
H5	-0.507	-1.100	-0.897
H6	0.051	1.348	-0.937
H7	0.051	1.348	0.937

	C1	C2	H3	H4	H5	H6	H7
C1		1.4734	1.1171	1.1062	1.1062	2.2403	2.2403
C2	1.4734		2.1587	2.1484	2.1484	1.0936	1.0936
H3	1.1171	2.1587		1.7752	1.7752	2.8025	2.8025
H4	1.1062	2.1484	1.7752		1.7939	3.1096	2.5115
H5	1.1062	2.1484	1.7752	1.7939		2.5115	3.1096
H6	2.2403	1.0936	2.8025	3.1096	2.5115		1.8740
H7	2.2403	1.0936	2.8025	2.5115	3.1096	1.8740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.838	C1	C2	H7	120.838
C2	C1	H3	112.152	C2	C1	H4	112.000
C2	C1	H5	112.000	H3	C1	H4	105.971
H3	C1	H5	105.971	H4	C1	H5	108.367
H6	C2	H7	117.920

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

using model chemistry: LSDA/3-21G

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	-0.692
2	C	-0.395
3	H	0.230
4	H	0.227
5	H	0.227
6	H	0.201
7	H	0.201

	x	y	z	Total
	0.143	-0.322	0.000	0.353
CHELPG
AIM
ESP

	x	y	z
x	2.178	-0.056	0.000
y	-0.056	3.667	0.000
z	0.000	0.000	3.084

<r²>	27.551
(<r²>)^1/2	5.249

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

using model chemistry: LSDA/3-21G

States and conformations

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