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	hartrees
Energy at 0K	-78.599948
Energy at 298.15K	-78.604029
HF Energy	-78.599948
Nuclear repulsion energy	36.876898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	2827	18.56
2	A'	3215	2767	38.67
3	A'	3148	2710	37.66
4	A'	1583	1363	2.60
5	A'	1571	1352	2.83
6	A'	1507	1297	0.04
7	A'	1115	960	0.20
8	A'	1065	917	0.13
9	A'	547	471	36.28
10	A"	3387	2916	24.31
11	A"	3249	2797	31.66
12	A"	1584	1363	3.99
13	A"	1291	1111	1.91
14	A"	857	738	1.13
15	A"	213	184	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	-0.697	0.000
C2	-0.024	0.800	0.000
H3	0.997	-1.101	0.000
H4	-0.528	-1.095	0.884
H5	-0.528	-1.095	-0.884
H6	0.172	1.336	-0.921
H7	0.172	1.336	0.921

	C1	C2	H3	H4	H5	H6	H7
C1		1.4978	1.0971	1.0924	1.0924	2.2410	2.2410
C2	1.4978		2.1577	2.1510	2.1510	1.0835	1.0835
H3	1.0971	2.1577		1.7623	1.7623	2.7326	2.7326
H4	1.0924	2.1510	1.7623		1.7677	3.1075	2.5297
H5	1.0924	2.1510	1.7623	1.7677		2.5297	3.1075
H6	2.2410	1.0835	2.7326	3.1075	2.5297		1.8426
H7	2.2410	1.0835	2.7326	2.5297	3.1075	1.8426

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	119.626	C1	C2	H7	119.626
C2	C1	H3	111.577	C2	C1	H4	111.321
C2	C1	H5	111.321	H3	C1	H4	107.198
H3	C1	H5	107.198	H4	C1	H5	108.011
H6	C2	H7	116.489

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

using model chemistry: ROHF/cc-pVDZ

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	-0.067
2	C	-0.144
3	H	0.039
4	H	0.038
5	H	0.038
6	H	0.048
7	H	0.048

	x	y	z	Total
	0.245	-0.187	0.000	0.308
CHELPG
AIM
ESP

<r²>	27.830
(<r²>)^1/2	5.275

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

using model chemistry: ROHF/cc-pVDZ

States and conformations

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