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	hartrees
Energy at 0K	-78.916702
Energy at 298.15K	-78.920557
HF Energy	-78.603471
Nuclear repulsion energy	36.543964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3155	3007
2	A'	3079	2934
3	A'	2992	2852
4	A'	1479	1409
5	A'	1463	1394
6	A'	1392	1326
7	A'	1076	1026
8	A'	980	934
9	A'	447	426
10	A"	3262	3109
11	A"	3125	2979
12	A"	1474	1405
13	A"	1190	1134
14	A"	800	763
15	A"	155	148

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	-0.701	0.000
C2	-0.014	0.802	0.000
H3	1.020	-1.113	0.000
H4	-0.521	-1.106	0.897
H5	-0.521	-1.106	-0.897
H6	0.097	1.360	-0.938
H7	0.097	1.360	0.938

	C1	C2	H3	H4	H5	H6	H7
C1		1.5027	1.1135	1.1067	1.1067	2.2671	2.2671
C2	1.5027		2.1767	2.1681	2.1681	1.0974	1.0974
H3	1.1135	2.1767		1.7827	1.7827	2.8019	2.8019
H4	1.1067	2.1681	1.7827		1.7931	3.1353	2.5426
H5	1.1067	2.1681	1.7827	1.7931		2.5426	3.1353
H6	2.2671	1.0974	2.8019	3.1353	2.5426		1.8767
H7	2.2671	1.0974	2.8019	2.5426	3.1353	1.8767

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

using model chemistry: QCISD(T)/cc-pVDZ

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)/cc-pVDZ

States and conformations

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