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	hartrees
Energy at 0K	-79.103843
Energy at 298.15K	-79.107666
HF Energy	-79.103843
Nuclear repulsion energy	37.041437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3045	15.65
2	A'	3095	2955	23.96
3	A'	2998	2863	25.27
4	A'	1497	1429	2.50
5	A'	1479	1412	3.35
6	A'	1405	1342	1.56
7	A'	1094	1044	0.14
8	A'	977	933	0.89
9	A'	459	438	52.49
10	A"	3296	3147	16.72
11	A"	3146	3003	19.70
12	A"	1494	1426	4.32
13	A"	1196	1142	2.85
14	A"	813	776	2.92
15	A"	129	123	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	-0.690	0.000
C2	-0.012	0.790	0.000
H3	1.009	-1.103	0.000
H4	-0.507	-1.097	0.885
H5	-0.507	-1.097	-0.885
H6	0.072	1.346	-0.925
H7	0.072	1.346	0.925

	C1	C2	H3	H4	H5	H6	H7
C1		1.4802	1.1009	1.0927	1.0927	2.2378	2.2378
C2	1.4802		2.1507	2.1424	2.1424	1.0825	1.0825
H3	1.1009	2.1507		1.7556	1.7556	2.7804	2.7804
H4	1.0927	2.1424	1.7556		1.7692	3.0949	2.5109
H5	1.0927	2.1424	1.7556	1.7692		2.5109	3.0949
H6	2.2378	1.0825	2.7804	3.0949	2.5109		1.8506
H7	2.2378	1.0825	2.7804	2.5109	3.0949	1.8506

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.884	C1	C2	H7	120.884
C2	C1	H3	112.026	C2	C1	H4	111.864
C2	C1	H5	111.864	H3	C1	H4	106.320
H3	C1	H5	106.320	H4	C1	H5	108.106
H6	C2	H7	117.462

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

using model chemistry: B1B95/6-31G**

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	-0.385
2	C	-0.255
3	H	0.135
4	H	0.133
5	H	0.133
6	H	0.120
7	H	0.120

	x	y	z	Total
	0.136	-0.243	0.000	0.279
CHELPG
AIM
ESP

	x	y	z
x	2.422	-0.016	0.000
y	-0.016	3.724	0.000
z	0.000	0.000	3.246

<r²>	27.416
(<r²>)^1/2	5.236

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

using model chemistry: B1B95/6-31G**

States and conformations

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