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	hartrees
Energy at 0K	-78.996952
Energy at 298.15K	-79.000808
HF Energy	-78.941965
Nuclear repulsion energy	36.799979

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3191	16.87
2	A'	3084	3084	31.40
3	A'	2997	2997	30.93
4	A'	1545	1545	6.06
5	A'	1524	1524	0.83
6	A'	1478	1478	2.89
7	A'	1085	1085	0.07
8	A'	1035	1035	0.86
9	A'	492	492	61.98
10	A"	3299	3299	24.30
11	A"	3130	3130	27.08
12	A"	1553	1553	5.41
13	A"	1244	1244	2.96
14	A"	849	849	3.18
15	A"	114	114	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.009	-0.698	0.000
C2	-0.009	0.799	0.000
H3	1.013	-1.113	0.000
H4	-0.512	-1.102	0.887
H5	-0.512	-1.102	-0.887
H6	0.061	1.356	-0.927
H7	0.061	1.356	0.927

	C1	C2	H3	H4	H5	H6	H7
C1		1.4969	1.1036	1.0960	1.0960	2.2552	2.2552
C2	1.4969		2.1680	2.1565	2.1565	1.0842	1.0842
H3	1.1036	2.1680		1.7639	1.7639	2.8041	2.8041
H4	1.0960	2.1565	1.7639		1.7735	3.1083	2.5245
H5	1.0960	2.1565	1.7639	1.7735		2.5245	3.1083
H6	2.2552	1.0842	2.8041	3.1083	2.5245		1.8542
H7	2.2552	1.0842	2.8041	2.5245	3.1083	1.8542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.955	C1	C2	H7	120.955
C2	C1	H3	112.076	C2	C1	H4	111.610
C2	C1	H5	111.610	H3	C1	H4	106.623
H3	C1	H5	106.623	H4	C1	H5	108.002
H6	C2	H7	117.536

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

using model chemistry: B2PLYP/6-31G

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	-0.445
2	C	-0.256
3	H	0.149
4	H	0.146
5	H	0.146
6	H	0.129
7	H	0.129

	x	y	z	Total
	0.126	-0.211	0.000	0.245
CHELPG
AIM
ESP

	x	y	z
x	2.267	-0.016	0.000
y	-0.016	3.495	0.000
z	0.000	0.000	3.154

<r²>	27.883
(<r²>)^1/2	5.280

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

using model chemistry: B2PLYP/6-31G

States and conformations

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