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	hartrees
Energy at 0K	-79.171043
Energy at 298.15K	-79.174861
HF Energy	-79.171043
Nuclear repulsion energy	36.859555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3159	3028	19.12
2	A'	3060	2934	31.57
3	A'	2969	2846	34.88
4	A'	1508	1446	2.76
5	A'	1492	1431	2.15
6	A'	1419	1360	0.26
7	A'	1069	1025	0.08
8	A'	983	943	0.51
9	A'	456	437	49.60
10	A"	3260	3126	23.48
11	A"	3107	2979	27.46
12	A"	1511	1449	3.08
13	A"	1204	1154	2.31
14	A"	808	775	2.09
15	A"	129	123	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	-0.695	0.000
C2	-0.012	0.796	0.000
H3	1.012	-1.109	0.000
H4	-0.511	-1.100	0.887
H5	-0.511	-1.100	-0.887
H6	0.075	1.353	-0.928
H7	0.075	1.353	0.928

	C1	C2	H3	H4	H5	H6	H7
C1		1.4915	1.1037	1.0956	1.0956	2.2501	2.2501
C2	1.4915		2.1621	2.1523	2.1523	1.0855	1.0855
H3	1.1037	2.1621		1.7625	1.7625	2.7919	2.7919
H4	1.0956	2.1523	1.7625		1.7744	3.1072	2.5222
H5	1.0956	2.1523	1.7625	1.7744		2.5222	3.1072
H6	2.2501	1.0855	2.7919	3.1072	2.5222		1.8560
H7	2.2501	1.0855	2.7919	2.5222	3.1072	1.8560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.837	C1	C2	H7	120.837
C2	C1	H3	111.980	C2	C1	H4	111.680
C2	C1	H5	111.680	H3	C1	H4	106.526
H3	C1	H5	106.526	H4	C1	H5	108.145
H6	C2	H7	117.492

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

using model chemistry: TPSSh/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	-0.379
2	C	-0.258
3	H	0.132
4	H	0.131
5	H	0.131
6	H	0.122
7	H	0.122

	x	y	z	Total
	0.131	-0.211	0.000	0.249
CHELPG
AIM
ESP

	x	y	z
x	2.444	-0.010	0.000
y	-0.010	3.750	0.000
z	0.000	0.000	3.291

<r²>	27.644
(<r²>)^1/2	5.258

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

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

States and conformations

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