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	hartrees
Energy at 0K	-79.040940
Energy at 298.15K	-79.044803
HF Energy	-78.633325
Nuclear repulsion energy	37.221510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	3092	11.07
2	A'	3134	2999	14.35
3	A'	3049	2918	18.00
4	A'	1513	1448	1.62
5	A'	1497	1433	4.73
6	A'	1417	1356	1.90
7	A'	1098	1051	0.05
8	A'	996	953	0.51
9	A'	483	462	54.63
10	A"	3341	3197	6.78
11	A"	3181	3045	13.20
12	A"	1509	1444	5.72
13	A"	1214	1162	2.09
14	A"	823	788	1.74
15	A"	129	124	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.690	0.000
C2	-0.011	0.789	0.000
H3	1.004	-1.092	0.000
H4	-0.505	-1.090	0.879
H5	-0.505	-1.090	-0.879
H6	0.069	1.339	-0.919
H7	0.069	1.339	0.919

	C1	C2	H3	H4	H5	H6	H7
C1		1.4787	1.0915	1.0848	1.0848	2.2281	2.2281
C2	1.4787		2.1373	2.1325	2.1325	1.0734	1.0734
H3	1.0915	2.1373		1.7461	1.7461	2.7617	2.7617
H4	1.0848	2.1325	1.7461		1.7574	3.0755	2.4960
H5	1.0848	2.1325	1.7461	1.7574		2.4960	3.0755
H6	2.2281	1.0734	2.7617	3.0755	2.4960		1.8371
H7	2.2281	1.0734	2.7617	2.4960	3.0755	1.8371

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.805	C1	C2	H7	120.805
C2	C1	H3	111.632	C2	C1	H4	111.660
C2	C1	H5	111.660	H3	C1	H4	106.706
H3	C1	H5	106.706	H4	C1	H5	108.201
H6	C2	H7	117.679

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

using model chemistry: MP2=FULL/cc-pVQZ

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/cc-pVQZ

States and conformations

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