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	hartrees
Energy at 0K	-79.097985
Energy at 298.15K	-79.101742
HF Energy	-79.097985
Nuclear repulsion energy	36.540349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3059	3063	16.18
2	A'	2954	2959	26.94
3	A'	2845	2850	32.74
4	A'	1415	1417	1.61
5	A'	1397	1399	2.47
6	A'	1335	1337	0.57
7	A'	1043	1045	0.20
8	A'	937	938	0.62
9	A'	462	463	39.92
10	A"	3162	3167	18.29
11	A"	3003	3008	23.22
12	A"	1410	1412	3.25
13	A"	1146	1148	2.40
14	A"	783	785	2.20
15	A"	110	110	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	-0.696	0.000
C2	-0.012	0.799	0.000
H3	1.027	-1.118	0.000
H4	-0.510	-1.115	0.900
H5	-0.510	-1.115	-0.900
H6	0.066	1.364	-0.941
H7	0.066	1.364	0.941

	C1	C2	H3	H4	H5	H6	H7
C1		1.4951	1.1211	1.1110	1.1110	2.2656	2.2656
C2	1.4951		2.1804	2.1735	2.1735	1.1000	1.1000
H3	1.1211	2.1804		1.7811	1.7811	2.8226	2.8226
H4	1.1110	2.1735	1.7811		1.8001	3.1411	2.5454
H5	1.1110	2.1735	1.7811	1.8001		2.5454	3.1411
H6	2.2656	1.1000	2.8226	3.1411	2.5454		1.8818
H7	2.2656	1.1000	2.8226	2.5454	3.1411	1.8818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.875	C1	C2	H7	120.875
C2	C1	H3	112.111	C2	C1	H4	112.183
C2	C1	H5	112.183	H3	C1	H4	105.865
H3	C1	H5	105.865	H4	C1	H5	108.217
H6	C2	H7	117.603

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.000
2	C	-0.085
3	H	0.024
4	H	0.018
5	H	0.018
6	H	0.013
7	H	0.013

	x	y	z	Total
	0.119	-0.289	0.000	0.313
CHELPG
AIM
ESP

	x	y	z
x	2.695	-0.029	0.000
y	-0.029	4.180	0.000
z	0.000	0.000	3.502

<r²>	28.162
(<r²>)^1/2	5.307

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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