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	hartrees
Energy at 0K	-78.630484
Energy at 298.15K	-78.634424
HF Energy	-78.630484
Nuclear repulsion energy	37.060537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3269	2963	17.32
2	A'	3184	2886	35.76
3	A'	3116	2825	38.50
4	A'	1600	1450	3.75
5	A'	1583	1435	1.71
6	A'	1523	1381	0.15
7	A'	1099	996	0.29
8	A'	1067	968	0.23
9	A'	467	423	49.78
10	A"	3368	3052	22.78
11	A"	3218	2917	33.72
12	A"	1603	1453	4.40
13	A"	1294	1173	1.75
14	A"	862	781	0.80
15	A"	161	146	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.021	-0.645	0.000
C2	0.021	0.772	0.000
H3	1.003	-1.147	0.000
H4	-0.463	-1.144	0.854
H5	-0.463	-1.144	-0.854
H6	-0.167	1.338	-0.909
H7	-0.167	1.338	0.909

	C1	C2	H3	H4	H5	H6	H7
C1		1.4167	1.1026	1.1009	1.1009	2.1892	2.1892
C2	1.4167		2.1551	2.1522	2.1522	1.0871	1.0871
H3	1.1026	2.1551		1.6965	1.6965	2.8926	2.8926
H4	1.1009	2.1522	1.6965		1.7072	3.0580	2.4996
H5	1.1009	2.1522	1.6965	1.7072		2.4996	3.0580
H6	2.1892	1.0871	2.8926	3.0580	2.4996		1.8177
H7	2.1892	1.0871	2.8926	2.4996	3.0580	1.8177

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	121.378	C1	C2	H7	121.378
C2	C1	H3	117.070	C2	C1	H4	116.937
C2	C1	H5	116.937	H3	C1	H4	100.696
H3	C1	H5	100.696	H4	C1	H5	101.679
H6	C2	H7	113.447

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

using model chemistry: HF/Def2TZVPP

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	-0.133
2	C	-0.159
3	H	0.055
4	H	0.057
5	H	0.057
6	H	0.061
7	H	0.061

	x	y	z	Total
	0.173	-0.186	0.000	0.254
CHELPG
AIM
ESP

	x	y	z
x	3.208	-0.007	0.000
y	-0.007	4.002	0.000
z	0.000	0.000	3.540

<r²>	27.731
(<r²>)^1/2	5.266

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

using model chemistry: HF/Def2TZVPP

States and conformations

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