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	hartrees
Energy at 0K	-79.022373
Energy at 298.15K	-79.026248
HF Energy	-78.628161
Nuclear repulsion energy	37.115355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3036	12.47
2	A'	3093	2932	20.98
3	A'	3018	2861	23.65
4	A'	1519	1440	2.25
5	A'	1506	1428	3.03
6	A'	1429	1355	1.12
7	A'	1088	1031	0.03
8	A'	1005	953	0.38
9	A'	490	465	51.17
10	A"	3282	3112	11.84
11	A"	3128	2966	19.44
12	A"	1518	1439	4.71
13	A"	1220	1157	1.86
14	A"	824	781	1.24
15	A"	129	123	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.693	0.000
C2	-0.011	0.792	0.000
H3	1.006	-1.096	0.000
H4	-0.508	-1.091	0.881
H5	-0.508	-1.091	-0.881
H6	0.072	1.341	-0.921
H7	0.072	1.341	0.921

	C1	C2	H3	H4	H5	H6	H7
C1		1.4852	1.0936	1.0868	1.0868	2.2341	2.2341
C2	1.4852		2.1442	2.1376	2.1376	1.0750	1.0750
H3	1.0936	2.1442		1.7515	1.7515	2.7668	2.7668
H4	1.0868	2.1376	1.7515		1.7611	3.0816	2.5007
H5	1.0868	2.1376	1.7515	1.7611		2.5007	3.0816
H6	2.2341	1.0750	2.7668	3.0816	2.5007		1.8413
H7	2.2341	1.0750	2.7668	2.5007	3.0816	1.8413

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.691	C1	C2	H7	120.691
C2	C1	H3	111.602	C2	C1	H4	111.490
C2	C1	H5	111.490	H3	C1	H4	106.890
H3	C1	H5	106.890	H4	C1	H5	108.234
H6	C2	H7	117.832

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

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

using model chemistry: CCSD=FULL/cc-pVTZ

States and conformations

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