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	hartrees
Energy at 0K	-79.058749
Energy at 298.15K	-79.062606
HF Energy	-78.970579
Nuclear repulsion energy	36.965879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3208	3208	15.14
2	A'	3108	3108	26.61
3	A'	3021	3021	27.07
4	A'	1523	1523	2.36
5	A'	1509	1509	2.76
6	A'	1437	1437	0.50
7	A'	1087	1087	0.06
8	A'	1003	1003	0.43
9	A'	463	463	48.42
10	A"	3313	3313	17.51
11	A"	3155	3155	23.02
12	A"	1524	1524	3.49
13	A"	1222	1222	2.32
14	A"	825	825	1.88
15	A"	139	139	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	-0.694	0.000
C2	-0.012	0.794	0.000
H3	1.007	-1.105	0.000
H4	-0.511	-1.097	0.884
H5	-0.511	-1.097	-0.884
H6	0.082	1.348	-0.924
H7	0.082	1.348	0.924

	C1	C2	H3	H4	H5	H6	H7
C1		1.4884	1.0997	1.0923	1.0923	2.2431	2.2431
C2	1.4884		2.1562	2.1466	2.1466	1.0813	1.0813
H3	1.0997	2.1562		1.7574	1.7574	2.7799	2.7799
H4	1.0923	2.1466	1.7574		1.7683	3.0982	2.5161
H5	1.0923	2.1466	1.7574	1.7683		2.5161	3.0982
H6	2.2431	1.0813	2.7799	3.0982	2.5161		1.8482
H7	2.2431	1.0813	2.7799	2.5161	3.0982	1.8482

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.785	C1	C2	H7	120.785
C2	C1	H3	111.968	C2	C1	H4	111.655
C2	C1	H5	111.655	H3	C1	H4	106.590
H3	C1	H5	106.590	H4	C1	H5	108.087
H6	C2	H7	117.438

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

using model chemistry: B2PLYP/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	-0.337
2	C	-0.230
3	H	0.118
4	H	0.116
5	H	0.116
6	H	0.108
7	H	0.108

	x	y	z	Total
	0.141	-0.203	0.000	0.248
CHELPG
AIM
ESP

	x	y	z
x	2.393	0.001	0.000
y	0.001	3.608	0.000
z	0.000	0.000	3.216

<r²>	27.612
(<r²>)^1/2	5.255

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

using model chemistry: B2PLYP/6-31G**

States and conformations

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