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	hartrees
Energy at 0K	-78.920752
Energy at 298.15K	-78.924583
HF Energy	-78.606562
Nuclear repulsion energy	36.590219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3063	13.63
2	A'	3084	2974	22.28
3	A'	3005	2898	26.03
4	A'	1490	1437	1.00
5	A'	1468	1416	4.24
6	A'	1397	1348	0.21
7	A'	1076	1038	0.02
8	A'	981	946	0.52
9	A'	463	446	52.53
10	A"	3284	3167	13.63
11	A"	3126	3015	21.84
12	A"	1478	1426	4.19
13	A"	1195	1153	1.66
14	A"	806	778	0.82
15	A"	127	122	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.702	0.000
C2	-0.011	0.802	0.000
H3	1.021	-1.110	0.000
H4	-0.517	-1.105	0.894
H5	-0.517	-1.105	-0.894
H6	0.072	1.361	-0.935
H7	0.072	1.361	0.935

	C1	C2	H3	H4	H5	H6	H7
C1		1.5044	1.1095	1.1034	1.1034	2.2673	2.2673
C2	1.5044		2.1729	2.1662	2.1662	1.0929	1.0929
H3	1.1095	2.1729		1.7788	1.7788	2.8078	2.8078
H4	1.1034	2.1662	1.7788		1.7880	3.1268	2.5361
H5	1.1034	2.1662	1.7788	1.7880		2.5361	3.1268
H6	2.2673	1.0929	2.8078	3.1268	2.5361		1.8706
H7	2.2673	1.0929	2.8078	2.5361	3.1268	1.8706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.780	C1	C2	H7	120.780
C2	C1	H3	111.570	C2	C1	H4	111.411
C2	C1	H5	111.411	H3	C1	H4	106.993
H3	C1	H5	106.993	H4	C1	H5	108.232
H6	C2	H7	117.693

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

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

States and conformations

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