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	hartrees
Energy at 0K	-78.891404
Energy at 298.15K	-78.895252
HF Energy	-78.606828
Nuclear repulsion energy	36.735730

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3212	3113	13.49
2	A'	3119	3022	17.91
3	A'	3030	2937	22.48
4	A'	1494	1448	0.85
5	A'	1467	1422	4.98
6	A'	1388	1346	0.67
7	A'	1090	1057	0.02
8	A'	974	944	0.60
9	A'	467	453	54.73
10	A"	3327	3225	10.44
11	A"	3166	3069	17.42
12	A"	1477	1432	4.90
13	A"	1195	1158	1.82
14	A"	809	784	1.24
15	A"	134	130	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	-0.698	0.000
C2	-0.012	0.798	0.000
H3	1.017	-1.106	0.000
H4	-0.514	-1.102	0.892
H5	-0.514	-1.102	-0.892
H6	0.075	1.356	-0.932
H7	0.075	1.356	0.932

	C1	C2	H3	H4	H5	H6	H7
C1		1.4967	1.1067	1.1001	1.1001	2.2573	2.2573
C2	1.4967		2.1641	2.1584	2.1584	1.0893	1.0893
H3	1.1067	2.1641		1.7722	1.7722	2.7954	2.7954
H4	1.1001	2.1584	1.7722		1.7831	3.1165	2.5277
H5	1.1001	2.1584	1.7722	1.7831		2.5277	3.1165
H6	2.2573	1.0893	2.7954	3.1165	2.5277		1.8638
H7	2.2573	1.0893	2.7954	2.5277	3.1165	1.8638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.777	C1	C2	H7	120.777
C2	C1	H3	111.583	C2	C1	H4	111.526
C2	C1	H5	111.526	H3	C1	H4	106.843
H3	C1	H5	106.843	H4	C1	H5	108.271
H6	C2	H7	117.626

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

using model chemistry: MP2=FULL/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: MP2=FULL/aug-cc-pVDZ

States and conformations

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