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	hartrees
Energy at 0K	-78.619745
Energy at 298.15K	-78.623703
HF Energy	-78.619745
Nuclear repulsion energy	36.982572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3263	2964	19.13
2	A'	3186	2895	42.31
3	A'	3119	2834	41.51
4	A'	1601	1454	4.20
5	A'	1581	1436	1.56
6	A'	1521	1382	0.27
7	A'	1102	1001	0.31
8	A'	1067	970	0.10
9	A'	471	428	47.21
10	A"	3363	3055	28.25
11	A"	3221	2926	37.87
12	A"	1603	1457	4.35
13	A"	1291	1173	1.82
14	A"	861	782	1.03
15	A"	168	153	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	-0.016	-0.699	0.000
C2	-0.016	0.799	0.000
H3	0.999	-1.100	0.000
H4	-0.517	-1.094	0.879
H5	-0.517	-1.094	-0.879
H6	0.113	1.343	-0.919
H7	0.113	1.343	0.919

	C1	C2	H3	H4	H5	H6	H7
C1		1.4976	1.0913	1.0860	1.0860	2.2431	2.2431
C2	1.4976		2.1529	2.1460	2.1460	1.0761	1.0761
H3	1.0913	2.1529		1.7523	1.7523	2.7565	2.7565
H4	1.0860	2.1460	1.7523		1.7577	3.0933	2.5173
H5	1.0860	2.1460	1.7523	1.7577		2.5173	3.0933
H6	2.2431	1.0761	2.7565	3.0933	2.5173		1.8385
H7	2.2431	1.0761	2.7565	2.5173	3.0933	1.8385

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.388	C1	C2	H7	120.388
C2	C1	H3	111.560	C2	C1	H4	111.323
C2	C1	H5	111.323	H3	C1	H4	107.187
H3	C1	H5	107.187	H4	C1	H5	108.046
H6	C2	H7	117.355

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

using model chemistry: HF/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	-0.249
2	C	-0.250
3	H	0.096
4	H	0.095
5	H	0.095
6	H	0.107
7	H	0.107

	x	y	z	Total
	0.182	-0.161	0.000	0.243
CHELPG
AIM
ESP

	x	y	z
x	2.725	0.028	0.000
y	0.028	3.660	0.000
z	0.000	0.000	3.303

<r²>	27.776
(<r²>)^1/2	5.270

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

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

States and conformations

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