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	hartrees
Energy at 0K	-78.881536
Energy at 298.15K	-78.885424
HF Energy	-78.596654
Nuclear repulsion energy	36.822165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3195	3072
2	A'	3095	2976
3	A'	3013	2897
4	A'	1533	1474
5	A'	1518	1460
6	A'	1454	1398
7	A'	1094	1052
8	A'	1021	981
9	A'	459	441
10	A"	3296	3170
11	A"	3138	3017
12	A"	1539	1480
13	A"	1233	1186
14	A"	831	799
15	A"	159	153

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	-0.697	0.000
C2	-0.013	0.797	0.000
H3	1.011	-1.109	0.000
H4	-0.518	-1.097	0.888
H5	-0.518	-1.097	-0.888
H6	0.093	1.352	-0.927
H7	0.093	1.352	0.927

	C1	C2	H3	H4	H5	H6	H7
C1		1.4938	1.1040	1.0974	1.0974	2.2515	2.2515
C2	1.4938		2.1633	2.1520	2.1520	1.0861	1.0861
H3	1.1040	2.1633		1.7687	1.7687	2.7852	2.7852
H4	1.0974	2.1520	1.7687		1.7770	3.1094	2.5242
H5	1.0974	2.1520	1.7687	1.7770		2.5242	3.1094
H6	2.2515	1.0861	2.7852	3.1094	2.5242		1.8550
H7	2.2515	1.0861	2.7852	2.5242	3.1094	1.8550

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

using model chemistry: MP4=FULL/6-31G*

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: MP4=FULL/6-31G*

States and conformations

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