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	hartrees
Energy at 0K	-79.137658
Energy at 298.15K	-79.141407
HF Energy	-79.137658
Nuclear repulsion energy	36.913521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	3033	16.50
2	A'	3091	2945	24.36
3	A'	3001	2858	27.11
4	A'	1501	1430	4.34
5	A'	1479	1409	3.62
6	A'	1412	1345	2.93
7	A'	1081	1029	0.11
8	A'	983	936	0.73
9	A'	462	440	77.68
10	A"	3291	3135	15.09
11	A"	3140	2991	22.23
12	A"	1492	1421	7.10
13	A"	1198	1141	2.29
14	A"	823	784	2.77
15	A"	79	75	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.020	-0.648	0.000
C2	0.020	0.776	0.000
H3	1.010	-1.159	0.000
H4	-0.464	-1.152	0.862
H5	-0.464	-1.152	-0.862
H6	-0.161	1.348	-0.914
H7	-0.161	1.348	0.914

	C1	C2	H3	H4	H5	H6	H7
C1		1.4235	1.1137	1.1095	1.1095	2.2028	2.2028
C2	1.4235		2.1727	2.1659	2.1659	1.0937	1.0937
H3	1.1137	2.1727		1.7072	1.7072	2.9137	2.9137
H4	1.1095	2.1659	1.7072		1.7242	3.0813	2.5183
H5	1.1095	2.1659	1.7072	1.7242		2.5183	3.0813
H6	2.2028	1.0937	2.9137	3.0813	2.5183		1.8282
H7	2.2028	1.0937	2.9137	2.5183	3.0813	1.8282

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	121.563	C1	C2	H7	121.563
C2	C1	H3	117.293	C2	C1	H4	116.996
C2	C1	H5	116.996	H3	C1	H4	100.334
H3	C1	H5	100.334	H4	C1	H5	101.981
H6	C2	H7	113.401

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

using model chemistry: wB97X-D/cc-pVDZ

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	-0.546
2	C	-0.265
3	H	0.169
4	H	0.165
5	H	0.165
6	H	0.156
7	H	0.156

	x	y	z	Total
	0.150	-0.308	0.000	0.343
CHELPG
AIM
ESP

	x	y	z
x	3.268	-0.061	0.000
y	-0.061	4.071	0.000
z	0.000	0.000	3.419

<r²>	27.831
(<r²>)^1/2	5.275

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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