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	hartrees
Energy at 0K	-14.234486
Energy at 298.15K	-14.238178
HF Energy	-14.234486
Nuclear repulsion energy	22.336648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3086	3007	26.19
2	A'	3014	2937	46.07
3	A'	2924	2850	44.34
4	A'	1505	1466	9.35
5	A'	1464	1427	0.89
6	A'	1425	1389	3.45
7	A'	1053	1026	0.02
8	A'	990	965	0.68
9	A'	486	474	78.03
10	A"	3207	3125	40.07
11	A"	3064	2986	37.46
12	A"	1512	1473	6.86
13	A"	1193	1163	2.65
14	A"	816	795	3.42
15	A"	37	36	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.008	-0.706	0.000
C2	-0.008	0.807	0.000
H3	1.019	-1.118	0.000
H4	-0.510	-1.110	0.890
H5	-0.510	-1.110	-0.890
H6	0.047	1.367	-0.933
H7	0.047	1.367	0.933

	C1	C2	H3	H4	H5	H6	H7
C1		1.5125	1.1066	1.0989	1.0989	2.2739	2.2739
C2	1.5125		2.1812	2.1722	2.1722	1.0901	1.0901
H3	1.1066	2.1812		1.7693	1.7693	2.8266	2.8266
H4	1.0989	2.1722	1.7693		1.7801	3.1258	2.5392
H5	1.0989	2.1722	1.7693	1.7801		2.5392	3.1258
H6	2.2739	1.0901	2.8266	3.1258	2.5392		1.8669
H7	2.2739	1.0901	2.8266	2.5392	3.1258	1.8669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.928	C1	C2	H7	120.928
C2	C1	H3	111.842	C2	C1	H4	111.590
C2	C1	H5	111.590	H3	C1	H4	106.681
H3	C1	H5	106.681	H4	C1	H5	108.179
H6	C2	H7	117.819

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

using model chemistry: B3LYP/CEP-121G

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	-0.472
2	C	-0.249
3	H	0.158
4	H	0.153
5	H	0.153
6	H	0.129
7	H	0.129

	x	y	z	Total
	0.124	-0.287	0.000	0.312
CHELPG
AIM
ESP

	x	y	z
x	2.870	-0.045	0.000
y	-0.045	4.016	0.000
z	0.000	0.000	3.504

<r²>	25.992
(<r²>)^1/2	5.098

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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