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	hartrees
Energy at 0K	-79.157251
Energy at 298.15K	-79.161006
HF Energy	-79.157251
Nuclear repulsion energy	37.017792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3028	15.24
2	A'	3082	2943	23.27
3	A'	2992	2857	25.06
4	A'	1496	1429	5.03
5	A'	1475	1409	3.00
6	A'	1410	1346	3.31
7	A'	1077	1028	0.10
8	A'	985	941	0.54
9	A'	468	447	69.11
10	A"	3276	3128	13.78
11	A"	3129	2988	20.85
12	A"	1489	1422	6.64
13	A"	1199	1145	2.27
14	A"	825	788	2.46
15	A"	79	75	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.020	-0.646	0.000
C2	0.020	0.773	0.000
H3	1.009	-1.155	0.000
H4	-0.463	-1.148	0.861
H5	-0.463	-1.148	-0.861
H6	-0.158	1.345	-0.911
H7	-0.158	1.345	0.911

	C1	C2	H3	H4	H5	H6	H7
C1		1.4197	1.1124	1.1072	1.1072	2.1976	2.1976
C2	1.4197		2.1675	2.1597	2.1597	1.0906	1.0906
H3	1.1124	2.1675		1.7051	1.7051	2.9062	2.9062
H4	1.1072	2.1597	1.7051		1.7226	3.0741	2.5120
H5	1.1072	2.1597	1.7051	1.7226		2.5120	3.0741
H6	2.1976	1.0906	2.9062	3.0741	2.5120		1.8225
H7	2.1976	1.0906	2.9062	2.5120	3.0741	1.8225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	121.640	C1	C2	H7	121.640
C2	C1	H3	117.226	C2	C1	H4	116.917
C2	C1	H5	116.917	H3	C1	H4	100.390
H3	C1	H5	100.390	H4	C1	H5	102.147
H6	C2	H7	113.352

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

using model chemistry: wB97X-D/TZVP

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	-0.322
2	C	-0.311
3	H	0.126
4	H	0.121
5	H	0.121
6	H	0.132
7	H	0.132

	x	y	z	Total
	0.142	-0.282	0.000	0.316
CHELPG
AIM
ESP

	x	y	z
x	3.181	-0.061	0.000
y	-0.061	4.143	0.000
z	0.000	0.000	3.561

<r²>	27.674
(<r²>)^1/2	5.261

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

using model chemistry: wB97X-D/TZVP

States and conformations

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