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	hartrees
Energy at 0K	-79.176152
Energy at 298.15K	-79.179941
HF Energy	-79.176152
Nuclear repulsion energy	36.925763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3140	3035	19.88
2	A'	3039	2936	31.38
3	A'	2947	2848	35.22
4	A'	1499	1449	5.68
5	A'	1478	1428	1.65
6	A'	1417	1369	2.63
7	A'	1066	1030	0.05
8	A'	989	956	0.65
9	A'	462	446	61.94
10	A"	3238	3129	24.48
11	A"	3081	2977	29.33
12	A"	1503	1452	6.14
13	A"	1201	1161	2.61
14	A"	818	791	2.44
15	A"	106	102	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.693	0.000
C2	-0.010	0.794	0.000
H3	1.011	-1.108	0.000
H4	-0.507	-1.103	0.885
H5	-0.507	-1.103	-0.885
H6	0.062	1.353	-0.926
H7	0.062	1.353	0.926

	C1	C2	H3	H4	H5	H6	H7
C1		1.4873	1.1027	1.0944	1.0944	2.2468	2.2468
C2	1.4873		2.1594	2.1513	2.1513	1.0835	1.0835
H3	1.1027	2.1594		1.7573	1.7573	2.7954	2.7954
H4	1.0944	2.1513	1.7573		1.7704	3.1035	2.5209
H5	1.0944	2.1513	1.7573	1.7704		2.5209	3.1035
H6	2.2468	1.0835	2.7954	3.1035	2.5209		1.8511
H7	2.2468	1.0835	2.7954	2.5209	3.1035	1.8511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	121.037	C1	C2	H7	121.037
C2	C1	H3	112.118	C2	C1	H4	111.972
C2	C1	H5	111.972	H3	C1	H4	106.227
H3	C1	H5	106.227	H4	C1	H5	107.958
H6	C2	H7	117.344

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

using model chemistry: B3LYP/6-311G*

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	-0.627
2	C	-0.425
3	H	0.214
4	H	0.213
5	H	0.213
6	H	0.206
7	H	0.206

	x	y	z	Total
	0.129	-0.234	0.000	0.267
CHELPG
AIM
ESP	0.098	-0.236	0.000	0.255

	x	y	z
x	2.763	-0.032	0.000
y	-0.032	3.985	0.000
z	0.000	0.000	3.385

<r²>	27.860
(<r²>)^1/2	5.278

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

using model chemistry: B3LYP/6-311G*

States and conformations

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