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	hartrees
Energy at 0K	-79.111684
Energy at 298.15K	-79.115451
HF Energy	-79.111684
Nuclear repulsion energy	36.802999

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3111	3111	19.29
2	A'	3000	3000	32.31
3	A'	2905	2905	37.12
4	A'	1466	1466	2.31
5	A'	1451	1451	2.19
6	A'	1381	1381	0.50
7	A'	1059	1059	0.10
8	A'	960	960	0.75
9	A'	457	457	50.11
10	A"	3212	3212	23.15
11	A"	3051	3051	28.00
12	A"	1467	1467	3.22
13	A"	1174	1174	2.53
14	A"	800	800	2.54
15	A"	108	108	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.694	0.000
C2	-0.011	0.796	0.000
H3	1.016	-1.112	0.000
H4	-0.509	-1.104	0.891
H5	-0.509	-1.104	-0.891
H6	0.067	1.355	-0.931
H7	0.067	1.355	0.931

	C1	C2	H3	H4	H5	H6	H7
C1		1.4895	1.1090	1.1001	1.1001	2.2518	2.2518
C2	1.4895		2.1666	2.1569	2.1569	1.0889	1.0889
H3	1.1090	2.1666		1.7665	1.7665	2.8023	2.8023
H4	1.1001	2.1569	1.7665		1.7814	3.1145	2.5265
H5	1.1001	2.1569	1.7665	1.7814		2.5265	3.1145
H6	2.2518	1.0889	2.8023	3.1145	2.5265		1.8620
H7	2.2518	1.0889	2.8023	2.5265	3.1145	1.8620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.907	C1	C2	H7	120.907
C2	C1	H3	112.152	C2	C1	H4	111.914
C2	C1	H5	111.914	H3	C1	H4	106.190
H3	C1	H5	106.190	H4	C1	H5	108.122
H6	C2	H7	117.513

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

using model chemistry: B97D3/6-31G**

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	-0.340
2	C	-0.248
3	H	0.121
4	H	0.121
5	H	0.121
6	H	0.112
7	H	0.112

	x	y	z	Total
	0.123	-0.246	0.000	0.275
CHELPG
AIM
ESP

	x	y	z
x	2.467	-0.022	0.000
y	-0.022	3.861	0.000
z	0.000	0.000	3.316

<r²>	27.683
(<r²>)^1/2	5.261

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

using model chemistry: B97D3/6-31G**

States and conformations

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