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	hartrees
Energy at 0K	-79.065194
Energy at 298.15K
HF Energy	-78.971495
Nuclear repulsion energy	36.805056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3058	14.76
2	A'	3078	2962	21.65
3	A'	2988	2876	25.73
4	A'	1482	1426	0.69
5	A'	1456	1401	4.87
6	A'	1384	1332	1.13
7	A'	1079	1038	0.03
8	A'	969	933	0.63
9	A'	492	473	54.67
10	A"	3287	3163	13.33
11	A"	3127	3009	20.56
12	A"	1466	1411	5.08
13	A"	1191	1146	2.03
14	A"	809	778	1.34
15	A"	111	107	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.696	0.000
C2	-0.010	0.796	0.000
H3	1.018	-1.106	0.000
H4	-0.509	-1.102	0.891
H5	-0.509	-1.102	-0.891
H6	0.058	1.355	-0.931
H7	0.058	1.355	0.931

	C1	C2	H3	H4	H5	H6	H7
C1		1.4915	1.1068	1.0990	1.0990	2.2535	2.2535
C2	1.4915		2.1616	2.1550	2.1550	1.0884	1.0884
H3	1.1068	2.1616		1.7680	1.7680	2.8010	2.8010
H4	1.0990	2.1550	1.7680		1.7819	3.1111	2.5220
H5	1.0990	2.1550	1.7680	1.7819		2.5220	3.1111
H6	2.2535	1.0884	2.8010	3.1111	2.5220		1.8621
H7	2.2535	1.0884	2.8010	2.5220	3.1111	1.8621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.936	C1	C2	H7	120.936
C2	C1	H3	111.745	C2	C1	H4	111.687
C2	C1	H5	111.687	H3	C1	H4	106.550
H3	C1	H5	106.550	H4	C1	H5	108.331
H6	C2	H7	117.623

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

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

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

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