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	hartrees
Energy at 0K	-79.161040
Energy at 298.15K	-79.164797
HF Energy	-79.161040
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3028	14.25
2	A'	3081	2943	20.71
3	A'	2991	2857	23.41
4	A'	1493	1426	3.82
5	A'	1473	1407	2.67
6	A'	1406	1343	2.82
7	A'	1079	1030	0.11
8	A'	983	939	0.51
9	A'	471	450	57.58
10	A"	3276	3129	12.25
11	A"	3128	2987	18.50
12	A"	1484	1418	6.11
13	A"	1199	1145	2.44
14	A"	822	785	2.01
15	A"	81	77	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.691	0.000
C2	-0.010	0.791	0.000
H3	1.011	-1.097	0.000
H4	-0.504	-1.097	0.885
H5	-0.504	-1.097	-0.885
H6	0.060	1.344	-0.926
H7	0.060	1.344	0.926

	C1	C2	H3	H4	H5	H6	H7
C1		1.4817	1.0991	1.0912	1.0912	2.2369	2.2369
C2	1.4817		2.1467	2.1422	2.1422	1.0807	1.0807
H3	1.0991	2.1467		1.7540	1.7540	2.7790	2.7790
H4	1.0912	2.1422	1.7540		1.7692	3.0909	2.5057
H5	1.0912	2.1422	1.7540	1.7692		2.5057	3.0909
H6	2.2369	1.0807	2.7790	3.0909	2.5057		1.8511
H7	2.2369	1.0807	2.7790	2.5057	3.0909	1.8511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.808	C1	C2	H7	120.808
C2	C1	H3	111.708	C2	C1	H4	111.839
C2	C1	H5	111.839	H3	C1	H4	106.411
H3	C1	H5	106.411	H4	C1	H5	108.318
H6	C2	H7	117.833

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

using model chemistry: wB97X-D/Def2TZVPP

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	-0.187
2	C	-0.285
3	H	0.086
4	H	0.080
5	H	0.080
6	H	0.113
7	H	0.113

	x	y	z	Total
	0.130	-0.281	0.000	0.309
CHELPG
AIM
ESP

	x	y	z
x	3.390	-0.051	0.000
y	-0.051	4.374	0.000
z	0.000	0.000	3.704

<r²>	27.625
(<r²>)^1/2	5.256

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

using model chemistry: wB97X-D/Def2TZVPP

States and conformations

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