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	hartrees
Energy at 0K	-78.907633
Energy at 298.15K	-78.911482
HF Energy	-78.603653
Nuclear repulsion energy	36.588912

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3047	12.45
2	A'	3109	2974	24.67
3	A'	3027	2896	26.01
4	A'	1492	1427	1.39
5	A'	1476	1412	3.53
6	A'	1409	1348	0.15
7	A'	1086	1039	0.04
8	A'	991	948	0.18
9	A'	442	423	43.00
10	A"	3293	3151	13.15
11	A"	3152	3015	20.55
12	A"	1487	1423	3.73
13	A"	1201	1149	1.90
14	A"	809	774	1.22
15	A"	148	141	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	-0.701	0.000
C2	-0.014	0.801	0.000
H3	1.019	-1.111	0.000
H4	-0.521	-1.105	0.895
H5	-0.521	-1.105	-0.895
H6	0.093	1.359	-0.937
H7	0.093	1.359	0.937

	C1	C2	H3	H4	H5	H6	H7
C1		1.5019	1.1109	1.1049	1.1049	2.2651	2.2651
C2	1.5019		2.1734	2.1658	2.1658	1.0954	1.0954
H3	1.1109	2.1734		1.7803	1.7803	2.7992	2.7992
H4	1.1049	2.1658	1.7803		1.7892	3.1306	2.5395
H5	1.1049	2.1658	1.7803	1.7892		2.5395	3.1306
H6	2.2651	1.0954	2.7992	3.1306	2.5395		1.8734
H7	2.2651	1.0954	2.7992	2.5395	3.1306	1.8734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.604	C1	C2	H7	120.604
C2	C1	H3	111.700	C2	C1	H4	111.458
C2	C1	H5	111.458	H3	C1	H4	106.925
H3	C1	H5	106.925	H4	C1	H5	108.130
H6	C2	H7	117.549

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

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

States and conformations

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