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	hartrees
Energy at 0K	-78.604204
Energy at 298.15K	-78.608176
HF Energy	-78.604204
Nuclear repulsion energy	36.861756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3277	2975	16.30
2	A'	3210	2915	38.41
3	A'	3136	2847	38.53
4	A'	1581	1436	3.12
5	A'	1564	1420	2.08
6	A'	1504	1365	0.04
7	A'	1110	1008	0.27
8	A'	1059	962	0.05
9	A'	471	428	39.72
10	A"	3382	3071	21.82
11	A"	3248	2949	31.58
12	A"	1582	1437	3.95
13	A"	1283	1165	2.02
14	A"	854	776	1.10
15	A"	180	164	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	-0.698	0.000
C2	-0.017	0.799	0.000
H3	1.004	-1.102	0.000
H4	-0.521	-1.097	0.884
H5	-0.521	-1.097	-0.884
H6	0.121	1.346	-0.925
H7	0.121	1.346	0.925

	C1	C2	H3	H4	H5	H6	H7
C1		1.4974	1.0979	1.0925	1.0925	2.2483	2.2483
C2	1.4974		2.1581	2.1513	2.1513	1.0839	1.0839
H3	1.0979	2.1581		1.7620	1.7620	2.7621	2.7621
H4	1.0925	2.1513	1.7620		1.7681	3.1068	2.5258
H5	1.0925	2.1513	1.7620	1.7681		2.5258	3.1068
H6	2.2483	1.0839	2.7621	3.1068	2.5258		1.8510
H7	2.2483	1.0839	2.7621	2.5258	3.1068	1.8510

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.302	C1	C2	H7	120.302
C2	C1	H3	111.593	C2	C1	H4	111.377
C2	C1	H5	111.377	H3	C1	H4	107.115
H3	C1	H5	107.115	H4	C1	H5	108.038
H6	C2	H7	117.268

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

using model chemistry: HF/cc-pVDZ

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	-0.067
2	C	-0.145
3	H	0.040
4	H	0.038
5	H	0.038
6	H	0.048
7	H	0.048

	x	y	z	Total
	0.177	-0.174	0.000	0.248
CHELPG
AIM
ESP

	x	y	z
x	2.562	0.049	0.000
y	0.049	3.626	0.000
z	0.000	0.000	3.274

<r²>	27.859
(<r²>)^1/2	5.278

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

using model chemistry: HF/cc-pVDZ

States and conformations

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