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	hartrees
Energy at 0K	-79.105176
Energy at 298.15K	-79.108947
HF Energy	-79.105176
Nuclear repulsion energy	36.698107

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3078	3061	16.28
2	A'	2963	2947	25.97
3	A'	2860	2845	31.26
4	A'	1441	1434	2.15
5	A'	1428	1420	1.56
6	A'	1359	1352	0.34
7	A'	1037	1031	0.15
8	A'	953	947	0.55
9	A'	461	458	41.68
10	A"	3176	3159	18.17
11	A"	3009	2992	23.46
12	A"	1445	1437	2.63
13	A"	1163	1156	2.44
14	A"	789	785	1.55
15	A"	114	114	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.696	0.000
C2	-0.011	0.799	0.000
H3	1.019	-1.118	0.000
H4	-0.509	-1.110	0.893
H5	-0.509	-1.110	-0.893
H6	0.063	1.360	-0.932
H7	0.063	1.360	0.932

	C1	C2	H3	H4	H5	H6	H7
C1		1.4942	1.1125	1.1030	1.1030	2.2583	2.2583
C2	1.4942		2.1752	2.1648	2.1648	1.0907	1.0907
H3	1.1125	2.1752		1.7693	1.7693	2.8144	2.8144
H4	1.1030	2.1648	1.7693		1.7858	3.1235	2.5352
H5	1.1030	2.1648	1.7693	1.7858		2.5352	3.1235
H6	2.2583	1.0907	2.8144	3.1235	2.5352		1.8643
H7	2.2583	1.0907	2.8144	2.5352	3.1235	1.8643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.980	C1	C2	H7	120.980
C2	C1	H3	112.293	C2	C1	H4	112.039
C2	C1	H5	112.039	H3	C1	H4	105.987
H3	C1	H5	105.987	H4	C1	H5	108.098
H6	C2	H7	117.446

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.313
2	C	-0.218
3	H	0.113
4	H	0.110
5	H	0.110
6	H	0.099
7	H	0.099

	x	y	z	Total
	0.111	-0.253	0.000	0.276
CHELPG
AIM
ESP

	x	y	z
x	2.667	-0.032	0.000
y	-0.032	4.011	0.000
z	0.000	0.000	3.406

<r²>	27.871
(<r²>)^1/2	5.279

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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