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	hartrees
Energy at 0K	-79.183652
Energy at 298.15K	-79.187456
HF Energy	-79.183652
Nuclear repulsion energy	36.931529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3139	3034	17.02
2	A'	3035	2934	27.62
3	A'	2943	2845	31.12
4	A'	1483	1433	4.14
5	A'	1465	1417	2.17
6	A'	1401	1354	2.46
7	A'	1063	1027	0.08
8	A'	980	947	0.55
9	A'	478	462	55.70
10	A"	3238	3131	19.05
11	A"	3078	2976	25.36
12	A"	1483	1434	5.54
13	A"	1192	1152	2.42
14	A"	813	786	2.44
15	A"	107	103	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.693	0.000
C2	-0.010	0.794	0.000
H3	1.013	-1.105	0.000
H4	-0.506	-1.101	0.886
H5	-0.506	-1.101	-0.886
H6	0.059	1.351	-0.926
H7	0.059	1.351	0.926

	C1	C2	H3	H4	H5	H6	H7
C1		1.4875	1.1028	1.0943	1.0943	2.2455	2.2455
C2	1.4875		2.1575	2.1503	2.1503	1.0830	1.0830
H3	1.1028	2.1575		1.7584	1.7584	2.7931	2.7931
H4	1.0943	2.1503	1.7584		1.7723	3.1013	2.5170
H5	1.0943	2.1503	1.7584	1.7723		2.5170	3.1013
H6	2.2455	1.0830	2.7931	3.1013	2.5170		1.8524
H7	2.2455	1.0830	2.7931	2.5170	3.1013	1.8524

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.948	C1	C2	H7	120.948
C2	C1	H3	111.939	C2	C1	H4	111.885
C2	C1	H5	111.885	H3	C1	H4	106.323
H3	C1	H5	106.323	H4	C1	H5	108.148
H6	C2	H7	117.573

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	-0.306
2	C	-0.272
3	H	0.117
4	H	0.114
5	H	0.114
6	H	0.116
7	H	0.116

	x	y	z	Total
	0.122	-0.248	0.000	0.276
CHELPG
AIM
ESP

	x	y	z
x	2.848	-0.032	0.000
y	-0.032	4.062	0.000
z	0.000	0.000	3.448

<r²>	27.820
(<r²>)^1/2	5.274

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)