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	hartrees
Energy at 0K	-79.008156
Energy at 298.15K	-79.011995
HF Energy	-78.628592
Nuclear repulsion energy	36.908931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3151	3047
2	A'	3058	2957
3	A'	2977	2878
4	A'	1495	1445
5	A'	1477	1428
6	A'	1407	1360
7	A'	1067	1032
8	A'	990	957
9	A'	468	452
10	A"	3253	3145
11	A"	3102	2999
12	A"	1496	1446
13	A"	1201	1161
14	A"	807	781
15	A"	128	124

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.697	0.000
C2	-0.011	0.796	0.000
H3	1.012	-1.101	0.000
H4	-0.510	-1.097	0.886
H5	-0.510	-1.097	-0.886
H6	0.068	1.349	-0.926
H7	0.068	1.349	0.926

	C1	C2	H3	H4	H5	H6	H7
C1		1.4928	1.0999	1.0928	1.0928	2.2475	2.2475
C2	1.4928		2.1556	2.1488	2.1488	1.0820	1.0820
H3	1.0999	2.1556		1.7610	1.7610	2.7851	2.7851
H4	1.0928	2.1488	1.7610		1.7722	3.0989	2.5138
H5	1.0928	2.1488	1.7610	1.7722		2.5138	3.0989
H6	2.2475	1.0820	2.7851	3.0989	2.5138		1.8529
H7	2.2475	1.0820	2.7851	2.5138	3.0989	1.8529

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

using model chemistry: QCISD(T)/aug-cc-pVTZ

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: QCISD(T)/aug-cc-pVTZ

States and conformations

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