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	hartrees
Energy at 0K	-14.253826
Energy at 298.15K	-14.257511
HF Energy	-14.253826
Nuclear repulsion energy	22.392800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3118	3023	23.08
2	A'	3032	2939	37.89
3	A'	2946	2856	40.85
4	A'	1492	1447	6.02
5	A'	1469	1424	1.71
6	A'	1406	1363	0.57
7	A'	1041	1009	0.02
8	A'	974	944	0.50
9	A'	443	429	65.49
10	A"	3223	3124	31.02
11	A"	3076	2982	34.24
12	A"	1498	1452	5.05
13	A"	1186	1150	1.99
14	A"	801	777	1.84
15	A"	66	64	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.702	0.000
C2	-0.011	0.803	0.000
H3	1.016	-1.114	0.000
H4	-0.512	-1.107	0.890
H5	-0.512	-1.107	-0.890
H6	0.067	1.362	-0.931
H7	0.067	1.362	0.931

	C1	C2	H3	H4	H5	H6	H7
C1		1.5049	1.1060	1.0983	1.0983	2.2657	2.2657
C2	1.5049		2.1743	2.1657	2.1657	1.0888	1.0888
H3	1.1060	2.1743		1.7675	1.7675	2.8103	2.8103
H4	1.0983	2.1657	1.7675		1.7791	3.1218	2.5364
H5	1.0983	2.1657	1.7675	1.7791		2.5364	3.1218
H6	2.2657	1.0888	2.8103	3.1218	2.5364		1.8619
H7	2.2657	1.0888	2.8103	2.5364	3.1218	1.8619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.907	C1	C2	H7	120.907
C2	C1	H3	111.865	C2	C1	H4	111.644
C2	C1	H5	111.644	H3	C1	H4	106.615
H3	C1	H5	106.615	H4	C1	H5	108.171
H6	C2	H7	117.529

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

using model chemistry: B3LYP/CEP-121G*

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	-0.471
2	C	-0.354
3	H	0.169
4	H	0.168
5	H	0.168
6	H	0.160
7	H	0.160

	x	y	z	Total
	0.142	-0.253	0.000	0.290
CHELPG
AIM
ESP

	x	y	z
x	2.963	-0.033	0.000
y	-0.033	4.139	0.000
z	0.000	0.000	3.573

<r²>	25.878
(<r²>)^1/2	5.087

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

using model chemistry: B3LYP/CEP-121G*

States and conformations

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