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	hartrees
Energy at 0K	-14.227152
Energy at 298.15K	-14.230806
HF Energy	-14.227152
Nuclear repulsion energy	22.203020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3138	3039	29.96
2	A'	3063	2966	57.85
3	A'	2978	2884	45.14
4	A'	1493	1446	11.09
5	A'	1461	1415	1.46
6	A'	1417	1372	5.59
7	A'	1065	1031	0.08
8	A'	986	955	0.77
9	A'	493	477	120.62
10	A"	3252	3149	61.29
11	A"	3109	3010	47.82
12	A"	1500	1452	8.64
13	A"	1186	1148	3.32
14	A"	807	782	6.78
15	A"	25	25	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.007	-0.711	0.000
C2	-0.007	0.811	0.000
H3	1.026	-1.123	0.000
H4	-0.512	-1.116	0.896
H5	-0.512	-1.116	-0.896
H6	0.041	1.376	-0.939
H7	0.041	1.376	0.939

	C1	C2	H3	H4	H5	H6	H7
C1		1.5225	1.1124	1.1054	1.1054	2.2886	2.2886
C2	1.5225		2.1931	2.1845	2.1845	1.0964	1.0964
H3	1.1124	2.1931		1.7805	1.7805	2.8451	2.8451
H4	1.1054	2.1845	1.7805		1.7919	3.1432	2.5525
H5	1.1054	2.1845	1.7805	1.7919		2.5525	3.1432
H6	2.2886	1.0964	2.8451	3.1432	2.5525		1.8777
H7	2.2886	1.0964	2.8451	2.5525	3.1432	1.8777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.970	C1	C2	H7	120.970
C2	C1	H3	111.732	C2	C1	H4	111.477
C2	C1	H5	111.477	H3	C1	H4	106.804
H3	C1	H5	106.804	H4	C1	H5	108.296
H6	C2	H7	117.810

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

using model chemistry: B3LYP/CEP-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	-0.385
2	C	-0.406
3	H	0.148
4	H	0.147
5	H	0.147
6	H	0.174
7	H	0.174

	x	y	z	Total
	0.137	-0.295	0.000	0.326
CHELPG
AIM
ESP

	x	y	z
x	2.358	-0.058	0.000
y	-0.058	3.696	0.000
z	0.000	0.000	2.853

<r²>	25.956
(<r²>)^1/2	5.095

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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