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	hartrees
Energy at 0K	-78.987136
Energy at 298.15K	-78.991033
HF Energy	-78.625972
Nuclear repulsion energy	36.912539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3168	3029
2	A'	3075	2940
3	A'	2992	2860
4	A'	1505	1439
5	A'	1482	1416
6	A'	1425	1363
7	A'	1068	1021
8	A'	1001	957
9	A'	476	455
10	A"	3273	3129
11	A"	3119	2982
12	A"	1502	1436
13	A"	1215	1162
14	A"	818	782
15	A"	156	149

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	-0.697	0.000
C2	-0.013	0.796	0.000
H3	1.009	-1.103	0.000
H4	-0.515	-1.095	0.886
H5	-0.515	-1.095	-0.886
H6	0.089	1.347	-0.926
H7	0.089	1.347	0.926

	C1	C2	H3	H4	H5	H6	H7
C1		1.4929	1.0998	1.0929	1.0929	2.2458	2.2458
C2	1.4929		2.1569	2.1475	2.1475	1.0820	1.0820
H3	1.0998	2.1569		1.7622	1.7622	2.7761	2.7761
H4	1.0929	2.1475	1.7622		1.7712	3.0995	2.5154
H5	1.0929	2.1475	1.7622	1.7712		2.5154	3.0995
H6	2.2458	1.0820	2.7761	3.0995	2.5154		1.8516
H7	2.2458	1.0820	2.7761	2.5154	3.0995	1.8516

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

using model chemistry: CCSD(T)=FULL/TZVP

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C2H5 (Ethyl radical)

using model chemistry: CCSD(T)=FULL/TZVP

States and conformations

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