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	hartrees
Energy at 0K	-79.122276
Energy at 298.15K	-79.126022
HF Energy	-79.122276
Nuclear repulsion energy	36.837244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3084	3084	24.52
2	A'	2980	2980	37.15
3	A'	2882	2882	43.27
4	A'	1469	1469	5.09
5	A'	1447	1447	1.53
6	A'	1385	1385	1.85
7	A'	1055	1055	0.06
8	A'	964	964	0.76
9	A'	453	453	61.97
10	A"	3181	3181	30.48
11	A"	3026	3026	34.19
12	A"	1473	1473	5.55
13	A"	1176	1176	2.61
14	A"	804	804	2.61
15	A"	96	96	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.693	0.000
C2	-0.011	0.795	0.000
H3	1.016	-1.112	0.000
H4	-0.507	-1.105	0.889
H5	-0.507	-1.105	-0.889
H6	0.063	1.355	-0.930
H7	0.063	1.355	0.930

	C1	C2	H3	H4	H5	H6	H7
C1		1.4877	1.1082	1.0990	1.0990	2.2506	2.2506
C2	1.4877		2.1649	2.1558	2.1558	1.0880	1.0880
H3	1.1082	2.1649		1.7636	1.7636	2.8030	2.8030
H4	1.0990	2.1558	1.7636		1.7789	3.1126	2.5260
H5	1.0990	2.1558	1.7636	1.7789		2.5260	3.1126
H6	2.2506	1.0880	2.8030	3.1126	2.5260		1.8592
H7	2.2506	1.0880	2.8030	2.5260	3.1126	1.8592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	121.014	C1	C2	H7	121.014
C2	C1	H3	112.192	C2	C1	H4	112.026
C2	C1	H5	112.026	H3	C1	H4	106.076
H3	C1	H5	106.076	H4	C1	H5	108.060
H6	C2	H7	117.380

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

using model chemistry: B97D3/6-311G*

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	-0.598
2	C	-0.441
3	H	0.208
4	H	0.209
5	H	0.209
6	H	0.207
7	H	0.207

	x	y	z	Total
	0.130	-0.258	0.000	0.289
CHELPG
AIM
ESP

	x	y	z
x	2.817	-0.039	0.000
y	-0.039	4.150	0.000
z	0.000	0.000	3.448

<r²>	27.881
(<r²>)^1/2	5.280

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

using model chemistry: B97D3/6-311G*

States and conformations

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