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	hartrees
Energy at 0K	-78.160164
Energy at 298.15K	-78.164135
HF Energy	-78.160164
Nuclear repulsion energy	36.923318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3305	3002	17.16
2	A'	3224	2929	28.74
3	A'	3168	2878	25.10
4	A'	1663	1510	6.95
5	A'	1607	1460	1.26
6	A'	1578	1433	4.57
7	A'	1115	1013	0.89
8	A'	1050	954	0.03
9	A'	477	433	54.33
10	A"	3408	3096	22.82
11	A"	3254	2956	23.11
12	A"	1666	1514	5.43
13	A"	1327	1206	3.74
14	A"	898	816	3.06
15	A"	170	154	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	-0.703	0.000
C2	-0.019	0.805	0.000
H3	0.995	-1.099	0.000
H4	-0.522	-1.092	0.878
H5	-0.522	-1.092	-0.878
H6	0.139	1.338	-0.917
H7	0.139	1.338	0.917

	C1	C2	H3	H4	H5	H6	H7
C1		1.5080	1.0886	1.0842	1.0842	2.2437	2.2437
C2	1.5080		2.1571	2.1501	2.1501	1.0728	1.0728
H3	1.0886	2.1571		1.7527	1.7527	2.7415	2.7415
H4	1.0842	2.1501	1.7527		1.7566	3.0932	2.5189
H5	1.0842	2.1501	1.7527	1.7566		2.5189	3.0932
H6	2.2437	1.0728	2.7415	3.0932	2.5189		1.8347
H7	2.2437	1.0728	2.7415	2.5189	3.0932	1.8347

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	119.820	C1	C2	H7	119.820
C2	C1	H3	111.325	C2	C1	H4	111.030
C2	C1	H5	111.030	H3	C1	H4	107.541
H3	C1	H5	107.541	H4	C1	H5	108.211
H6	C2	H7	117.535

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

using model chemistry: ROHF/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	-0.648
2	C	-0.385
3	H	0.211
4	H	0.212
5	H	0.212
6	H	0.199
7	H	0.199

	x	y	z	Total
	0.239	-0.143	0.000	0.278
CHELPG
AIM
ESP

<r²>	27.838
(<r²>)^1/2	5.276

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

using model chemistry: ROHF/3-21G*

States and conformations

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