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	hartrees
Energy at 0K	-79.132847
Energy at 298.15K	-79.136603
HF Energy	-79.132847
Nuclear repulsion energy	36.821980

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3066	3049	15.49
2	A'	2952	2936	22.86
3	A'	2850	2834	26.67
4	A'	1446	1438	2.83
5	A'	1432	1424	2.30
6	A'	1363	1356	1.96
7	A'	1030	1025	0.17
8	A'	953	947	0.77
9	A'	496	493	56.60
10	A"	3161	3143	14.85
11	A"	2995	2978	21.04
12	A"	1445	1437	5.68
13	A"	1163	1157	1.99
14	A"	796	792	1.66
15	A"	85	85	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.009	-0.694	0.000
C2	-0.009	0.796	0.000
H3	1.018	-1.110	0.000
H4	-0.503	-1.106	0.890
H5	-0.503	-1.106	-0.890
H6	0.048	1.357	-0.929
H7	0.048	1.357	0.929

	C1	C2	H3	H4	H5	H6	H7
C1		1.4901	1.1080	1.0984	1.0984	2.2525	2.2525
C2	1.4901		2.1649	2.1575	2.1575	1.0868	1.0868
H3	1.1080	2.1649		1.7626	1.7626	2.8087	2.8087
H4	1.0984	2.1575	1.7626		1.7805	3.1114	2.5245
H5	1.0984	2.1575	1.7626	1.7805		2.5245	3.1114
H6	2.2525	1.0868	2.8087	3.1114	2.5245		1.8580
H7	2.2525	1.0868	2.8087	2.5245	3.1114	1.8580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	121.085	C1	C2	H7	121.085
C2	C1	H3	112.028	C2	C1	H4	112.029
C2	C1	H5	112.029	H3	C1	H4	106.044
H3	C1	H5	106.044	H4	C1	H5	108.290
H6	C2	H7	117.472

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

using model chemistry: BLYP/6-311+G(3df,2p)

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	-0.348
2	C	-0.415
3	H	0.154
4	H	0.148
5	H	0.148
6	H	0.157
7	H	0.157

	x	y	z	Total
	0.117	-0.346	0.000	0.366
CHELPG
AIM
ESP

	x	y	z
x	4.057	-0.083	0.000
y	-0.083	4.892	0.000
z	0.000	0.000	3.961

<r²>	28.173
(<r²>)^1/2	5.308

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

using model chemistry: BLYP/6-311+G(3df,2p)

States and conformations

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