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	hartrees
Energy at 0K	-79.187827
Energy at 298.15K	-79.191647
HF Energy	-79.187827
Nuclear repulsion energy	36.889617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3134	3134	19.71
2	A'	3040	3040	31.14
3	A'	2947	2947	35.42
4	A'	1494	1494	3.87
5	A'	1476	1476	1.76
6	A'	1405	1405	1.13
7	A'	1062	1062	0.08
8	A'	978	978	0.44
9	A'	466	466	54.31
10	A"	3234	3234	23.12
11	A"	3084	3084	28.53
12	A"	1496	1496	4.61
13	A"	1197	1197	2.15
14	A"	805	805	2.12
15	A"	122	122	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.695	0.000
C2	-0.011	0.795	0.000
H3	1.013	-1.105	0.000
H4	-0.509	-1.100	0.887
H5	-0.509	-1.100	-0.887
H6	0.070	1.351	-0.928
H7	0.070	1.351	0.928

	C1	C2	H3	H4	H5	H6	H7
C1		1.4902	1.1031	1.0947	1.0947	2.2482	2.2482
C2	1.4902		2.1587	2.1509	2.1509	1.0846	1.0846
H3	1.1031	2.1587		1.7612	1.7612	2.7900	2.7900
H4	1.0947	2.1509	1.7612		1.7740	3.1043	2.5190
H5	1.0947	2.1509	1.7612	1.7740		2.5190	3.1043
H6	2.2482	1.0846	2.7900	3.1043	2.5190		1.8555
H7	2.2482	1.0846	2.7900	2.5190	3.1043	1.8555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.840	C1	C2	H7	120.840
C2	C1	H3	111.825	C2	C1	H4	111.718
C2	C1	H5	111.718	H3	C1	H4	106.518
H3	C1	H5	106.518	H4	C1	H5	108.244
H6	C2	H7	117.597

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

using model chemistry: TPSSh/6-311G**

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	-0.309
2	C	-0.282
3	H	0.118
4	H	0.116
5	H	0.116
6	H	0.120
7	H	0.120

	x	y	z	Total
	0.135	-0.239	0.000	0.274
CHELPG
AIM
ESP

	x	y	z
x	2.843	-0.025	0.000
y	-0.025	4.069	0.000
z	0.000	0.000	3.450

<r²>	27.769
(<r²>)^1/2	5.270

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

using model chemistry: TPSSh/6-311G**

States and conformations

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