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	hartrees
Energy at 0K	-78.705152
Energy at 298.15K	-78.708929
HF Energy	-78.705152
Nuclear repulsion energy	36.969394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3098	3052	12.23
2	A'	2993	2948	13.96
3	A'	2882	2839	17.07
4	A'	1426	1404	2.22
5	A'	1397	1376	7.46
6	A'	1323	1304	9.54
7	A'	1102	1086	0.60
8	A'	922	908	1.61
9	A'	510	503	89.61
10	A"	3202	3154	7.28
11	A"	3052	3006	10.53
12	A"	1408	1386	10.20
13	A"	1135	1118	3.22
14	A"	786	774	5.91
15	A"	100	99	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.683	0.000
C2	-0.010	0.784	0.000
H3	1.023	-1.104	0.000
H4	-0.502	-1.103	0.895
H5	-0.502	-1.103	-0.895
H6	0.048	1.350	-0.935
H7	0.048	1.350	0.935

	C1	C2	H3	H4	H5	H6	H7
C1		1.4674	1.1148	1.1046	1.1046	2.2384	2.2384
C2	1.4674		2.1525	2.1460	2.1460	1.0943	1.0943
H3	1.1148	2.1525		1.7678	1.7678	2.8016	2.8016
H4	1.1046	2.1460	1.7678		1.7906	3.1095	2.5140
H5	1.1046	2.1460	1.7678	1.7906		2.5140	3.1095
H6	2.2384	1.0943	2.8016	3.1095	2.5140		1.8702
H7	2.2384	1.0943	2.8016	2.5140	3.1095	1.8702

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	121.121	C1	C2	H7	121.121
C2	C1	H3	112.218	C2	C1	H4	112.340
C2	C1	H5	112.340	H3	C1	H4	105.593
H3	C1	H5	105.593	H4	C1	H5	108.295
H6	C2	H7	117.402

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

using model chemistry: LSDA/6-31+G**

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	-0.654
2	C	-0.282
3	H	0.201
4	H	0.195
5	H	0.195
6	H	0.172
7	H	0.172

	x	y	z	Total
	0.160	-0.455	0.000	0.482
CHELPG
AIM
ESP

	x	y	z
x	3.572	-0.110	0.000
y	-0.110	4.531	0.000
z	0.000	0.000	3.545

<r²>	27.887
(<r²>)^1/2	5.281

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

using model chemistry: LSDA/6-31+G**

States and conformations

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