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	hartrees
Energy at 0K	-78.693332
Energy at 298.15K	-78.697103
HF Energy	-78.693332
Nuclear repulsion energy	36.860754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3085	3051	9.13
2	A'	2986	2953	13.17
3	A'	2867	2835	17.25
4	A'	1395	1379	1.43
5	A'	1362	1347	5.45
6	A'	1291	1277	6.97
7	A'	1107	1095	0.48
8	A'	908	898	1.49
9	A'	486	480	54.44
10	A"	3195	3160	5.83
11	A"	3048	3015	8.55
12	A"	1372	1356	6.79
13	A"	1120	1108	3.79
14	A"	771	763	5.32
15	A"	114	112	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.681	0.000
C2	-0.011	0.785	0.000
H3	1.027	-1.107	0.000
H4	-0.503	-1.108	0.901
H5	-0.503	-1.108	-0.901
H6	0.057	1.352	-0.942
H7	0.057	1.352	0.942

	C1	C2	H3	H4	H5	H6	H7
C1		1.4661	1.1225	1.1113	1.1113	2.2420	2.2420
C2	1.4661		2.1583	2.1530	2.1530	1.1014	1.1014
H3	1.1225	2.1583		1.7759	1.7759	2.8065	2.8065
H4	1.1113	2.1530	1.7759		1.8012	3.1240	2.5234
H5	1.1113	2.1530	1.7759	1.8012		2.5234	3.1240
H6	2.2420	1.1014	2.8065	3.1240	2.5234		1.8830
H7	2.2420	1.1014	2.8065	2.5234	3.1240	1.8830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	121.010	C1	C2	H7	121.010
C2	C1	H3	112.300	C2	C1	H4	112.569
C2	C1	H5	112.569	H3	C1	H4	105.305
H3	C1	H5	105.305	H4	C1	H5	108.265
H6	C2	H7	117.480

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

using model chemistry: LSDA/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	-0.185
2	C	-0.197
3	H	0.086
4	H	0.079
5	H	0.079
6	H	0.069
7	H	0.069

	x	y	z	Total
	0.139	-0.376	0.000	0.401
CHELPG
AIM
ESP

	x	y	z
x	2.706	-0.054	0.000
y	-0.054	4.262	0.000
z	0.000	0.000	3.498

<r²>	27.705
(<r²>)^1/2	5.264

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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