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	hartrees
Energy at 0K	-79.073640
Energy at 298.15K
HF Energy	-78.978785
Nuclear repulsion energy	36.960372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3175	3175	18.10
2	A'	3079	3079	29.16
3	A'	2993	2993	30.84
4	A'	1518	1518	5.52
5	A'	1499	1499	2.07
6	A'	1436	1436	2.71
7	A'	1080	1080	0.03
8	A'	1003	1003	0.50
9	A'	460	460	62.49
10	A"	3277	3277	21.32
11	A"	3124	3124	26.79
12	A"	1523	1523	6.33
13	A"	1219	1219	2.40
14	A"	826	826	2.33
15	A"	124	124	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.694	0.000
C2	-0.011	0.794	0.000
H3	1.009	-1.105	0.000
H4	-0.509	-1.099	0.884
H5	-0.509	-1.099	-0.884
H6	0.073	1.350	-0.924
H7	0.073	1.350	0.924

	C1	C2	H3	H4	H5	H6	H7
C1		1.4882	1.1000	1.0923	1.0923	2.2448	2.2448
C2	1.4882		2.1563	2.1480	2.1480	1.0816	1.0816
H3	1.1000	2.1563		1.7563	1.7563	2.7857	2.7857
H4	1.0923	2.1480	1.7563		1.7678	3.0993	2.5177
H5	1.0923	2.1480	1.7563	1.7678		2.5177	3.0993
H6	2.2448	1.0816	2.7857	3.0993	2.5177		1.8479
H7	2.2448	1.0816	2.7857	2.5177	3.0993	1.8479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.929	C1	C2	H7	120.929
C2	C1	H3	111.973	C2	C1	H4	111.779
C2	C1	H5	111.779	H3	C1	H4	106.476
H3	C1	H5	106.476	H4	C1	H5	108.039
H6	C2	H7	117.362

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

using model chemistry: B2PLYP=FULLultrafine/6-311G*

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/6-311G*

States and conformations

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