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	hartrees
Energy at 0K	-78.698845
Energy at 298.15K	-78.702621
HF Energy	-78.698845
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3186	12.00
2	A'	3105	3105	19.02
3	A'	3019	3019	18.90
4	A'	1554	1554	9.06
5	A'	1507	1507	0.37
6	A'	1469	1469	9.83
7	A'	1055	1055	0.39
8	A'	1024	1024	2.44
9	A'	448	448	76.36
10	A"	3294	3294	13.55
11	A"	3149	3149	15.17
12	A"	1559	1559	8.03
13	A"	1234	1234	4.66
14	A"	854	854	6.02
15	A"	89	89	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.698	0.000
C2	-0.010	0.798	0.000
H3	1.017	-1.102	0.000
H4	-0.510	-1.098	0.889
H5	-0.510	-1.098	-0.889
H6	0.059	1.349	-0.931
H7	0.059	1.349	0.931

	C1	C2	H3	H4	H5	H6	H7
C1		1.4964	1.1029	1.0955	1.0955	2.2499	2.2499
C2	1.4964		2.1593	2.1530	2.1530	1.0838	1.0838
H3	1.1029	2.1593		1.7667	1.7667	2.7907	2.7907
H4	1.0955	2.1530	1.7667		1.7778	3.1020	2.5124
H5	1.0955	2.1530	1.7667	1.7778		2.5124	3.1020
H6	2.2499	1.0838	2.7907	3.1020	2.5124		1.8618
H7	2.2499	1.0838	2.7907	2.5124	3.1020	1.8618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.540	C1	C2	H7	120.540
C2	C1	H3	111.451	C2	C1	H4	111.396
C2	C1	H5	111.396	H3	C1	H4	106.952
H3	C1	H5	106.952	H4	C1	H5	108.472
H6	C2	H7	118.389

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
	0.140	-0.221	0.000	0.262
CHELPG
AIM
ESP

	x	y	z
x	2.128	-0.016	0.000
y	-0.016	3.390	0.000
z	0.000	0.000	3.018

<r²>	27.657
(<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)