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	hartrees
Energy at 0K	-79.115161
Energy at 298.15K	-79.118999
HF Energy	-78.995587
Nuclear repulsion energy	37.088454

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3051	13.89
2	A'	3071	2946	19.85
3	A'	2985	2864	23.62
4	A'	1501	1440	2.53
5	A'	1486	1426	3.28
6	A'	1415	1358	1.39
7	A'	1075	1031	0.04
8	A'	992	952	0.63
9	A'	489	469	54.73
10	A"	3272	3139	11.78
11	A"	3114	2987	18.47
12	A"	1500	1439	5.49
13	A"	1209	1160	2.00
14	A"	818	785	1.44
15	A"	113	109	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.692	0.000
C2	-0.010	0.791	0.000
H3	1.009	-1.098	0.000
H4	-0.504	-1.095	0.883
H5	-0.504	-1.095	-0.883
H6	0.059	1.345	-0.922
H7	0.059	1.345	0.922

	C1	C2	H3	H4	H5	H6	H7
C1		1.4828	1.0970	1.0892	1.0892	2.2362	2.2362
C2	1.4828		2.1463	2.1404	2.1404	1.0775	1.0775
H3	1.0970	2.1463		1.7521	1.7521	2.7779	2.7779
H4	1.0892	2.1404	1.7521		1.7653	3.0864	2.5042
H5	1.0892	2.1404	1.7521	1.7653		2.5042	3.0864
H6	2.2362	1.0775	2.7779	3.0864	2.5042		1.8439
H7	2.2362	1.0775	2.7779	2.5042	3.0864	1.8439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.901	C1	C2	H7	120.901
C2	C1	H3	111.729	C2	C1	H4	111.738
C2	C1	H5	111.738	H3	C1	H4	106.536
H3	C1	H5	106.536	H4	C1	H5	108.267
H6	C2	H7	117.661

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for C2H5 (Ethyl radical)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

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