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	hartrees
Energy at 0K	-78.199886
Energy at 298.15K	-78.203640
HF Energy	-78.199886
Nuclear repulsion energy	36.457216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3411	3044	1.89
2	A'	3386	3021	1.48
3	A'	3268	2916	1.46
4	A'	1673	1493	3.79
5	A'	1604	1431	5.36
6	A'	1568	1400	0.09
7	A'	1129	1007	0.19
8	A'	1085	968	1.23
9	A'	427	381	22.61
10	A"	3554	3171	1.61
11	A"	3464	3091	0.98
12	A"	1681	1501	3.09
13	A"	1295	1156	4.94
14	A"	869	776	1.94
15	A"	156	139	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	-0.020	-0.707	0.000
C2	-0.020	0.810	0.000
H3	1.010	-1.117	0.000
H4	-0.528	-1.104	0.894
H5	-0.528	-1.104	-0.894
H6	0.141	1.355	-0.937
H7	0.141	1.355	0.937

	C1	C2	H3	H4	H5	H6	H7
C1		1.5169	1.1082	1.1022	1.1022	2.2712	2.2712
C2	1.5169		2.1847	2.1725	2.1725	1.0960	1.0960
H3	1.1082	2.1847		1.7791	1.7791	2.7833	2.7833
H4	1.1022	2.1725	1.7791		1.7873	3.1381	2.5493
H5	1.1022	2.1725	1.7791	1.7873		2.5493	3.1381
H6	2.2712	1.0960	2.7833	3.1381	2.5493		1.8736
H7	2.2712	1.0960	2.7833	2.5493	3.1381	1.8736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	119.867	C1	C2	H7	119.867
C2	C1	H3	111.709	C2	C1	H4	111.102
C2	C1	H5	111.102	H3	C1	H4	107.194
H3	C1	H5	107.194	H4	C1	H5	108.348
H6	C2	H7	117.463

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

using model chemistry: B3LYP/STO-3G

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	-0.230
2	C	-0.128
3	H	0.078
4	H	0.078
5	H	0.078
6	H	0.062
7	H	0.062

	x	y	z	Total
	0.157	-0.165	0.000	0.228
CHELPG
AIM
ESP

	x	y	z
x	1.105	0.031	0.000
y	0.031	1.825	0.000
z	0.000	0.000	1.646

<r²>	27.469
(<r²>)^1/2	5.241

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

using model chemistry: B3LYP/STO-3G

States and conformations

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