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	hartrees
Energy at 0K	-78.163647
Energy at 298.15K	-78.167519
HF Energy	-78.163647
Nuclear repulsion energy	36.908596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3292	2971	15.76
2	A'	3220	2906	28.27
3	A'	3153	2846	26.62
4	A'	1660	1498	6.75
5	A'	1596	1441	1.55
6	A'	1574	1421	4.17
7	A'	1110	1002	1.12
8	A'	1045	944	0.06
9	A'	438	395	57.69
10	A"	3396	3066	21.08
11	A"	3252	2935	23.02
12	A"	1665	1503	5.44
13	A"	1319	1190	3.89
14	A"	895	808	2.97
15	A"	131	118	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	-0.704	0.000
C2	-0.012	0.803	0.000
H3	1.003	-1.100	0.000
H4	-0.513	-1.095	0.879
H5	-0.513	-1.095	-0.879
H6	0.083	1.347	-0.921
H7	0.083	1.347	0.921

	C1	C2	H3	H4	H5	H6	H7
C1		1.5075	1.0894	1.0843	1.0843	2.2501	2.2501
C2	1.5075		2.1571	2.1508	2.1508	1.0734	1.0734
H3	1.0894	2.1571		1.7523	1.7523	2.7715	2.7715
H4	1.0843	2.1508	1.7523		1.7570	3.0910	2.5136
H5	1.0843	2.1508	1.7523	1.7570		2.5136	3.0910
H6	2.2501	1.0734	2.7715	3.0910	2.5136		1.8418
H7	2.2501	1.0734	2.7715	2.5136	3.0910	1.8418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.409	C1	C2	H7	120.409
C2	C1	H3	111.312	C2	C1	H4	111.121
C2	C1	H5	111.121	H3	C1	H4	107.438
H3	C1	H5	107.438	H4	C1	H5	108.238
H6	C2	H7	118.161

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

using model chemistry: HF/3-21G*

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	-0.650
2	C	-0.382
3	H	0.212
4	H	0.212
5	H	0.212
6	H	0.198
7	H	0.198

	x	y	z	Total
	0.147	-0.130	0.000	0.196
CHELPG	0.121	-0.112	0.000	0.165
AIM
ESP

	x	y	z
x	2.076	0.031	0.000
y	0.031	3.187	0.000
z	0.000	0.000	2.975

<r²>	27.865
(<r²>)^1/2	5.279

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

using model chemistry: HF/3-21G*

States and conformations

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