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	hartrees
Energy at 0K	-78.698845
Energy at 298.15K	-78.702616
HF Energy	-78.698845
Nuclear repulsion energy	36.826811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3019	12.00
2	A'	3105	2942	19.03
3	A'	3019	2861	18.90
4	A'	1554	1473	9.06
5	A'	1507	1428	0.37
6	A'	1469	1392	9.81
7	A'	1055	999	0.39
8	A'	1024	971	2.44
9	A'	449	426	76.37
10	A"	3294	3122	13.57
11	A"	3149	2984	15.17
12	A"	1559	1477	8.03
13	A"	1234	1169	4.66
14	A"	854	809	6.03
15	A"	89	84	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.020	-0.647	0.000
C2	0.020	0.773	0.000
H3	1.014	-1.154	0.000
H4	-0.467	-1.148	0.865
H5	-0.467	-1.148	-0.865
H6	-0.161	1.347	-0.914
H7	-0.161	1.347	0.914

	C1	C2	H3	H4	H5	H6	H7
C1		1.4198	1.1160	1.1116	1.1116	2.2007	2.2007
C2	1.4198		2.1684	2.1617	2.1617	1.0943	1.0943
H3	1.1160	2.1684		1.7149	1.7149	2.9108	2.9108
H4	1.1116	2.1617	1.7149		1.7297	3.0788	2.5135
H5	1.1116	2.1617	1.7149	1.7297		2.5135	3.0788
H6	2.2007	1.0943	2.9108	3.0788	2.5135		1.8276
H7	2.2007	1.0943	2.9108	2.5135	3.0788	1.8276

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	121.636	C1	C2	H7	121.636
C2	C1	H3	117.041	C2	C1	H4	116.773
C2	C1	H5	116.773	H3	C1	H4	100.675
H3	C1	H5	100.675	H4	C1	H5	102.160
H6	C2	H7	113.247

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

using model chemistry: wB97X-D/3-21G*

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	-0.671
2	C	-0.401
3	H	0.222
4	H	0.221
5	H	0.221
6	H	0.204
7	H	0.204

	x	y	z	Total
	0.139	-0.221	0.000	0.261
CHELPG
AIM
ESP

	x	y	z
x	2.128	-0.016	0.000
y	-0.016	3.391	0.000
z	0.000	0.000	3.018

<r²>	27.661
(<r²>)^1/2	5.259

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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