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	hartrees
Energy at 0K	-78.909499
Energy at 298.15K	-78.913355
HF Energy	-78.603591
Nuclear repulsion energy	36.578202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3040	13.05
2	A'	3093	2967	25.94
3	A'	3009	2887	27.54
4	A'	1488	1427	1.44
5	A'	1472	1412	3.34
6	A'	1403	1346	0.15
7	A'	1082	1038	0.05
8	A'	988	948	0.19
9	A'	449	430	42.54
10	A"	3275	3142	14.60
11	A"	3138	3011	21.73
12	A"	1483	1423	3.65
13	A"	1198	1149	1.89
14	A"	806	773	1.17
15	A"	151	145	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	-0.700	0.000
C2	-0.014	0.801	0.000
H3	1.019	-1.112	0.000
H4	-0.520	-1.105	0.895
H5	-0.520	-1.105	-0.895
H6	0.096	1.359	-0.937
H7	0.096	1.359	0.937

	C1	C2	H3	H4	H5	H6	H7
C1		1.5016	1.1120	1.1054	1.1054	2.2653	2.2653
C2	1.5016		2.1745	2.1664	2.1664	1.0963	1.0963
H3	1.1120	2.1745		1.7807	1.7807	2.7994	2.7994
H4	1.1054	2.1664	1.7807		1.7906	3.1324	2.5407
H5	1.1054	2.1664	1.7807	1.7906		2.5407	3.1324
H6	2.2653	1.0963	2.7994	3.1324	2.5407		1.8745
H7	2.2653	1.0963	2.7994	2.5407	3.1324	1.8745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.584	C1	C2	H7	120.584
C2	C1	H3	111.741	C2	C1	H4	111.495
C2	C1	H5	111.495	H3	C1	H4	106.841
H3	C1	H5	106.841	H4	C1	H5	108.175
H6	C2	H7	117.515

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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