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	hartrees
Energy at 0K	-79.110397
Energy at 298.15K	-79.114204
HF Energy	-79.110397
Nuclear repulsion energy	36.929328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3031	13.19
2	A'	3087	2939	19.49
3	A'	3007	2863	23.87
4	A'	1494	1423	3.02
5	A'	1476	1406	4.58
6	A'	1407	1340	1.74
7	A'	1088	1036	0.06
8	A'	984	937	0.91
9	A'	439	418	68.85
10	A"	3288	3131	12.53
11	A"	3134	2984	18.00
12	A"	1492	1421	6.32
13	A"	1192	1135	2.02
14	A"	805	767	2.53
15	A"	130	124	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	-0.694	0.000
C2	-0.012	0.795	0.000
H3	1.010	-1.105	0.000
H4	-0.512	-1.097	0.886
H5	-0.512	-1.097	-0.886
H6	0.079	1.348	-0.927
H7	0.079	1.348	0.927

	C1	C2	H3	H4	H5	H6	H7
C1		1.4890	1.1013	1.0941	1.0941	2.2445	2.2445
C2	1.4890		2.1571	2.1480	2.1480	1.0830	1.0830
H3	1.1013	2.1571		1.7607	1.7607	2.7825	2.7825
H4	1.0941	2.1480	1.7607		1.7721	3.1005	2.5157
H5	1.0941	2.1480	1.7607	1.7721		2.5157	3.1005
H6	2.2445	1.0830	2.7825	3.1005	2.5157		1.8531
H7	2.2445	1.0830	2.7825	2.5157	3.1005	1.8531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.721	C1	C2	H7	120.721
C2	C1	H3	111.896	C2	C1	H4	111.602
C2	C1	H5	111.602	H3	C1	H4	106.647
H3	C1	H5	106.647	H4	C1	H5	108.164
H6	C2	H7	117.642

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

using model chemistry: M06-2X/6-31+G**

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	-0.545
2	C	-0.261
3	H	0.168
4	H	0.165
5	H	0.165
6	H	0.154
7	H	0.154

	x	y	z	Total
	0.170	-0.275	0.000	0.323
CHELPG
AIM
ESP

	x	y	z
x	3.290	-0.055	0.000
y	-0.055	4.057	0.000
z	0.000	0.000	3.435

<r²>	27.920
(<r²>)^1/2	5.284

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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