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	hartrees
Energy at 0K	-78.045143
Energy at 298.15K
HF Energy	-78.014554
Nuclear repulsion energy	36.462230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3472	3472	1.96
2	A'	3431	3431	1.74
3	A'	3322	3322	1.57
4	A'	1702	1702	2.91
5	A'	1635	1635	5.59
6	A'	1594	1594	0.39
7	A'	1148	1148	0.13
8	A'	1107	1107	0.70
9	A'	482	482	17.88
10	A"	3599	3599	1.81
11	A"	3517	3517	1.08
12	A"	1709	1709	2.25
13	A"	1320	1320	4.34
14	A"	882	882	1.31
15	A"	176	176	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	-0.708	0.000
C2	-0.023	0.812	0.000
H3	1.005	-1.115	0.000
H4	-0.533	-1.103	0.893
H5	-0.533	-1.103	-0.893
H6	0.171	1.349	-0.934
H7	0.171	1.349	0.934

	C1	C2	H3	H4	H5	H6	H7
C1		1.5198	1.1058	1.1008	1.1008	2.2678	2.2678
C2	1.5198		2.1836	2.1727	2.1727	1.0948	1.0948
H3	1.1058	2.1836		1.7782	1.7782	2.7638	2.7638
H4	1.1008	2.1727	1.7782		1.7850	3.1373	2.5514
H5	1.1008	2.1727	1.7782	1.7850		2.5514	3.1373
H6	2.2678	1.0948	2.7638	3.1373	2.5514		1.8671
H7	2.2678	1.0948	2.7638	2.5514	3.1373	1.8671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	119.424	C1	C2	H7	119.424
C2	C1	H3	111.566	C2	C1	H4	110.997
C2	C1	H5	110.997	H3	C1	H4	107.384
H3	C1	H5	107.384	H4	C1	H5	108.342
H6	C2	H7	117.018

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

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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/STO-3G

States and conformations

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