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	hartrees
Energy at 0K	-78.075720
Energy at 298.15K	-78.079440
HF Energy	-78.075720
Nuclear repulsion energy	36.399286

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3337	3049	1.93
2	A'	3328	3040	1.18
3	A'	3195	2919	1.68
4	A'	1630	1489	4.36
5	A'	1565	1430	4.27
6	A'	1527	1395	0.52
7	A'	1122	1025	0.29
8	A'	1057	966	1.90
9	A'	415	379	23.85
10	A"	3494	3192	1.55
11	A"	3397	3104	0.91
12	A"	1640	1498	3.65
13	A"	1265	1156	5.13
14	A"	851	777	2.81
15	A"	154	141	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	-0.705	0.000
C2	-0.019	0.808	0.000
H3	1.015	-1.123	0.000
H4	-0.529	-1.106	0.898
H5	-0.529	-1.106	-0.898
H6	0.137	1.358	-0.941
H7	0.137	1.358	0.941

	C1	C2	H3	H4	H5	H6	H7
C1		1.5130	1.1149	1.1079	1.1079	2.2730	2.2730
C2	1.5130		2.1899	2.1750	2.1750	1.1011	1.1011
H3	1.1149	2.1899		1.7859	1.7859	2.7946	2.7946
H4	1.1079	2.1750	1.7859		1.7961	3.1462	2.5531
H5	1.1079	2.1750	1.7859	1.7961		2.5531	3.1462
H6	2.2730	1.1011	2.7946	3.1462	2.5531		1.8819
H7	2.2730	1.1011	2.7946	2.5531	3.1462	1.8819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	119.980	C1	C2	H7	119.980
C2	C1	H3	111.994	C2	C1	H4	111.229
C2	C1	H5	111.229	H3	C1	H4	106.923
H3	C1	H5	106.923	H4	C1	H5	108.315
H6	C2	H7	117.420

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

using model chemistry: PBEPBE/STO-3G

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	-0.245
2	C	-0.137
3	H	0.083
4	H	0.083
5	H	0.083
6	H	0.066
7	H	0.066

	x	y	z	Total
	0.156	-0.188	0.000	0.244
CHELPG
AIM
ESP

	x	y	z
x	1.104	0.018	0.000
y	0.018	1.867	0.000
z	0.000	0.000	1.632

<r²>	27.462
(<r²>)^1/2	5.240

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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