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	hartrees
Energy at 0K	-78.666216
Energy at 298.15K	-78.670038
HF Energy	-78.666216
Nuclear repulsion energy	36.925781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3047	13.44
2	A'	3094	2960	19.46
3	A'	2997	2867	19.75
4	A'	1547	1480	8.27
5	A'	1505	1440	0.30
6	A'	1459	1396	7.88
7	A'	1059	1014	0.31
8	A'	1018	974	2.51
9	A'	463	443	73.15
10	A"	3293	3150	15.61
11	A"	3140	3004	15.61
12	A"	1554	1487	7.12
13	A"	1229	1176	4.63
14	A"	846	810	5.64
15	A"	110	106	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.695	0.000
C2	-0.010	0.795	0.000
H3	1.014	-1.102	0.000
H4	-0.509	-1.096	0.887
H5	-0.509	-1.096	-0.887
H6	0.061	1.347	-0.928
H7	0.061	1.347	0.928

	C1	C2	H3	H4	H5	H6	H7
C1		1.4900	1.1022	1.0938	1.0938	2.2441	2.2441
C2	1.4900		2.1557	2.1476	2.1476	1.0822	1.0822
H3	1.1022	2.1557		1.7625	1.7625	2.7867	2.7867
H4	1.0938	2.1476	1.7625		1.7742	3.0965	2.5089
H5	1.0938	2.1476	1.7625	1.7742		2.5089	3.0965
H6	2.2441	1.0822	2.7867	3.0965	2.5089		1.8564
H7	2.2441	1.0822	2.7867	2.5089	3.0965	1.8564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.660	C1	C2	H7	120.660
C2	C1	H3	111.655	C2	C1	H4	111.513
C2	C1	H5	111.513	H3	C1	H4	106.758
H3	C1	H5	106.758	H4	C1	H5	108.392
H6	C2	H7	118.118

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

using model chemistry: B1B95/3-21G

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	-0.668
2	C	-0.390
3	H	0.221
4	H	0.219
5	H	0.219
6	H	0.199
7	H	0.199

	x	y	z	Total
	0.142	-0.234	0.000	0.273
CHELPG
AIM
ESP

	x	y	z
x	2.121	-0.021	0.000
y	-0.021	3.445	0.000
z	0.000	0.000	3.011

<r²>	27.569
(<r²>)^1/2	5.251

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

using model chemistry: B1B95/3-21G

States and conformations

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