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	hartrees
Energy at 0K	-78.628924
Energy at 298.15K	-78.632889
HF Energy	-78.628924
Nuclear repulsion energy	37.053944

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	2971	16.89
2	A'	3179	2894	34.14
3	A'	3113	2834	38.01
4	A'	1600	1457	3.81
5	A'	1583	1441	1.83
6	A'	1523	1387	0.10
7	A'	1099	1001	0.29
8	A'	1068	973	0.26
9	A'	470	428	49.86
10	A"	3362	3060	22.26
11	A"	3213	2925	32.83
12	A"	1602	1459	4.52
13	A"	1295	1179	1.70
14	A"	863	785	0.76
15	A"	171	155	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.015	-0.698	0.000
C2	-0.015	0.797	0.000
H3	0.998	-1.098	0.000
H4	-0.514	-1.092	0.877
H5	-0.514	-1.092	-0.877
H6	0.104	1.341	-0.918
H7	0.104	1.341	0.918

	C1	C2	H3	H4	H5	H6	H7
C1		1.4949	1.0893	1.0838	1.0838	2.2392	2.2392
C2	1.4949		2.1490	2.1421	2.1421	1.0736	1.0736
H3	1.0893	2.1490		1.7485	1.7485	2.7552	2.7552
H4	1.0838	2.1421	1.7485		1.7544	3.0865	2.5112
H5	1.0838	2.1421	1.7485	1.7544		2.5112	3.0865
H6	2.2392	1.0736	2.7552	3.0865	2.5112		1.8356
H7	2.2392	1.0736	2.7552	2.5112	3.0865	1.8356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.448	C1	C2	H7	120.448
C2	C1	H3	111.566	C2	C1	H4	111.343
C2	C1	H5	111.343	H3	C1	H4	107.151
H3	C1	H5	107.151	H4	C1	H5	108.069
H6	C2	H7	117.495

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

using model chemistry: HF/aug-cc-pVTZ

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	-0.686
2	C	-0.971
3	H	0.277
4	H	0.274
5	H	0.274
6	H	0.416
7	H	0.416

	x	y	z	Total
	0.178	-0.198	0.000	0.266
CHELPG
AIM
ESP

	x	y	z
x	3.553	-0.019	0.000
y	-0.019	4.251	0.000
z	0.000	0.000	3.711

<r²>	27.741
(<r²>)^1/2	5.267

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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