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	hartrees
Energy at 0K	-79.080783
Energy at 298.15K	-79.084596
HF Energy	-79.080783
Nuclear repulsion energy	36.997159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3037	16.03
2	A'	3068	2946	24.67
3	A'	2978	2860	27.65
4	A'	1480	1421	4.07
5	A'	1462	1404	3.22
6	A'	1393	1338	3.44
7	A'	1086	1043	0.09
8	A'	976	937	0.58
9	A'	476	458	57.78
10	A"	3265	3136	15.98
11	A"	3115	2991	21.31
12	A"	1479	1420	6.27
13	A"	1188	1141	2.61
14	A"	811	779	3.10
15	A"	112	107	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.691	0.000
C2	-0.010	0.791	0.000
H3	1.012	-1.102	0.000
H4	-0.507	-1.099	0.886
H5	-0.507	-1.099	-0.886
H6	0.062	1.348	-0.927
H7	0.062	1.348	0.927

	C1	C2	H3	H4	H5	H6	H7
C1		1.4821	1.1021	1.0942	1.0942	2.2409	2.2409
C2	1.4821		2.1518	2.1454	2.1454	1.0835	1.0835
H3	1.1021	2.1518		1.7583	1.7583	2.7868	2.7868
H4	1.0942	2.1454	1.7583		1.7714	3.0976	2.5124
H5	1.0942	2.1454	1.7583	1.7714		2.5124	3.0976
H6	2.2409	1.0835	2.7868	3.0976	2.5124		1.8532
H7	2.2409	1.0835	2.7868	2.5124	3.0976	1.8532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.934	C1	C2	H7	120.934
C2	C1	H3	111.909	C2	C1	H4	111.887
C2	C1	H5	111.887	H3	C1	H4	106.367
H3	C1	H5	106.367	H4	C1	H5	108.088
H6	C2	H7	117.560

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

using model chemistry: HSEh1PBE/6-311G**

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	-0.358
2	C	-0.294
3	H	0.133
4	H	0.130
5	H	0.130
6	H	0.129
7	H	0.129

	x	y	z	Total
	0.128	-0.247	0.000	0.278
CHELPG
AIM
ESP

	x	y	z
x	2.832	-0.029	0.000
y	-0.029	4.019	0.000
z	0.000	0.000	3.420

<r²>	27.653
(<r²>)^1/2	5.259

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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