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	hartrees
Energy at 0K	-79.030738
Energy at 298.15K	-79.034584
HF Energy	-78.630359
Nuclear repulsion energy	37.038300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3181	12.00
2	A'	3086	3086	20.21
3	A'	3008	3008	22.77
4	A'	1513	1513	1.35
5	A'	1496	1496	4.19
6	A'	1425	1425	1.04
7	A'	1080	1080	0.01
8	A'	1001	1001	0.45
9	A'	478	478	55.12
10	A"	3281	3281	11.25
11	A"	3128	3128	19.00
12	A"	1507	1507	4.88
13	A"	1217	1217	1.84
14	A"	822	822	1.21
15	A"	123	123	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.695	0.000
C2	-0.010	0.794	0.000
H3	1.007	-1.098	0.000
H4	-0.508	-1.093	0.882
H5	-0.508	-1.093	-0.882
H6	0.067	1.345	-0.922
H7	0.067	1.345	0.922

	C1	C2	H3	H4	H5	H6	H7
C1		1.4891	1.0948	1.0882	1.0882	2.2403	2.2403
C2	1.4891		2.1485	2.1416	2.1416	1.0772	1.0772
H3	1.0948	2.1485		1.7536	1.7536	2.7756	2.7756
H4	1.0882	2.1416	1.7536		1.7642	3.0872	2.5053
H5	1.0882	2.1416	1.7536	1.7642		2.5053	3.0872
H6	2.2403	1.0772	2.7756	3.0872	2.5053		1.8447
H7	2.2403	1.0772	2.7756	2.5053	3.0872	1.8447

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.768	C1	C2	H7	120.768
C2	C1	H3	111.600	C2	C1	H4	111.451
C2	C1	H5	111.451	H3	C1	H4	106.895
H3	C1	H5	106.895	H4	C1	H5	108.310
H6	C2	H7	117.791

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

using model chemistry: CCSD=FULL/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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All results from a given calculation for C2H5 (Ethyl radical)

using model chemistry: CCSD=FULL/Def2TZVPP

States and conformations

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