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	hartrees
Energy at 0K	-78.601262
Energy at 298.15K	-78.605325
HF Energy	-78.601262
Nuclear repulsion energy	37.008355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3299	2819	21.21
2	A'	3215	2748	42.82
3	A'	3153	2695	37.51
4	A'	1615	1380	3.05
5	A'	1603	1370	2.23
6	A'	1539	1315	0.05
7	A'	1116	954	0.24
8	A'	1079	922	0.11
9	A'	540	462	38.56
10	A"	3398	2904	30.34
11	A"	3248	2775	35.76
12	A"	1618	1383	3.03
13	A"	1309	1119	1.99
14	A"	870	743	0.91
15	A"	204	174	1.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	-0.697	0.000
C2	-0.023	0.800	0.000
H3	0.990	-1.101	0.000
H4	-0.525	-1.091	0.878
H5	-0.525	-1.091	-0.878
H6	0.165	1.333	-0.915
H7	0.165	1.333	0.915

	C1	C2	H3	H4	H5	H6	H7
C1		1.4975	1.0902	1.0856	1.0856	2.2349	2.2349
C2	1.4975		2.1539	2.1450	2.1450	1.0753	1.0753
H3	1.0902	2.1539		1.7514	1.7514	2.7278	2.7278
H4	1.0856	2.1450	1.7514		1.7560	3.0934	2.5210
H5	1.0856	2.1450	1.7514	1.7560		2.5210	3.0934
H6	2.2349	1.0753	2.7278	3.0934	2.5210		1.8299
H7	2.2349	1.0753	2.7278	2.5210	3.0934	1.8299

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	119.705	C1	C2	H7	119.705
C2	C1	H3	111.714	C2	C1	H4	111.277
C2	C1	H5	111.277	H3	C1	H4	107.203
H3	C1	H5	107.203	H4	C1	H5	107.948
H6	C2	H7	116.605

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

using model chemistry: ROHF/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	-0.353
2	C	-0.246
3	H	0.119
4	H	0.121
5	H	0.121
6	H	0.119
7	H	0.119

	x	y	z	Total
	0.241	-0.148	0.000	0.283
CHELPG
AIM
ESP

<r²>	27.662
(<r²>)^1/2	5.259

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

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

States and conformations

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