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	hartrees
Energy at 0K	-79.041361
Energy at 298.15K	-79.045211
HF Energy	-78.962793
Nuclear repulsion energy	36.920729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3044	15.14
2	A'	3103	2946	26.66
3	A'	3016	2863	27.68
4	A'	1534	1456	3.53
5	A'	1517	1440	2.04
6	A'	1452	1378	0.67
7	A'	1089	1034	0.06
8	A'	1012	961	0.51
9	A'	459	436	53.05
10	A"	3307	3139	18.33
11	A"	3148	2988	23.39
12	A"	1538	1460	3.98
13	A"	1229	1166	2.46
14	A"	829	787	2.10
15	A"	138	131	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	-0.694	0.000
C2	-0.012	0.795	0.000
H3	1.009	-1.107	0.000
H4	-0.513	-1.098	0.886
H5	-0.513	-1.098	-0.886
H6	0.083	1.350	-0.925
H7	0.083	1.350	0.925

	C1	C2	H3	H4	H5	H6	H7
C1		1.4894	1.1017	1.0942	1.0942	2.2458	2.2458
C2	1.4894		2.1591	2.1487	2.1487	1.0829	1.0829
H3	1.1017	2.1591		1.7607	1.7607	2.7840	2.7840
H4	1.0942	2.1487	1.7607		1.7713	3.1022	2.5192
H5	1.0942	2.1487	1.7607	1.7713		2.5192	3.1022
H6	2.2458	1.0829	2.7840	3.1022	2.5192		1.8501
H7	2.2458	1.0829	2.7840	2.5192	3.1022	1.8501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.821	C1	C2	H7	120.821
C2	C1	H3	112.006	C2	C1	H4	111.624
C2	C1	H5	111.624	H3	C1	H4	106.612
H3	C1	H5	106.612	H4	C1	H5	108.070
H6	C2	H7	117.355

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

using model chemistry: B2PLYP/6-31G*

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	-0.469
2	C	-0.315
3	H	0.161
4	H	0.160
5	H	0.160
6	H	0.152
7	H	0.152

	x	y	z	Total
	0.148	-0.197	0.000	0.247
CHELPG
AIM
ESP

<r²>	27.660
(<r²>)^1/2	5.259

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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