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	hartrees
Energy at 0K	-79.106410
Energy at 298.15K	-79.110272
HF Energy	-79.106410
Nuclear repulsion energy	36.945629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3027	13.17
2	A'	3093	2940	22.00
3	A'	3013	2863	24.04
4	A'	1501	1426	2.70
5	A'	1485	1411	2.94
6	A'	1414	1344	0.82
7	A'	1091	1037	0.06
8	A'	990	941	0.83
9	A'	433	411	45.98
10	A"	3290	3127	15.04
11	A"	3140	2984	18.25
12	A"	1502	1427	3.94
13	A"	1198	1139	2.49
14	A"	806	766	2.34
15	A"	167	158	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	-0.694	0.000
C2	-0.014	0.795	0.000
H3	1.007	-1.107	0.000
H4	-0.515	-1.096	0.885
H5	-0.515	-1.096	-0.885
H6	0.094	1.346	-0.926
H7	0.094	1.346	0.926

	C1	C2	H3	H4	H5	H6	H7
C1		1.4884	1.1009	1.0938	1.0938	2.2421	2.2421
C2	1.4884		2.1580	2.1468	2.1468	1.0826	1.0826
H3	1.1009	2.1580		1.7603	1.7603	2.7755	2.7755
H4	1.0938	2.1468	1.7603		1.7706	3.1001	2.5165
H5	1.0938	2.1468	1.7603	1.7706		2.5165	3.1001
H6	2.2421	1.0826	2.7755	3.1001	2.5165		1.8512
H7	2.2421	1.0826	2.7755	2.5165	3.1001	1.8512

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	120.591	C1	C2	H7	120.591
C2	C1	H3	112.035	C2	C1	H4	111.568
C2	C1	H5	111.568	H3	C1	H4	106.657
H3	C1	H5	106.657	H4	C1	H5	108.070
H6	C2	H7	117.521

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

using model chemistry: M06-2X/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	-0.388
2	C	-0.249
3	H	0.132
4	H	0.131
5	H	0.131
6	H	0.121
7	H	0.121

	x	y	z	Total
	0.152	-0.187	0.000	0.241
CHELPG
AIM
ESP

	x	y	z
x	2.439	0.007	0.000
y	0.007	3.660	0.000
z	0.000	0.000	3.282

<r²>	27.599
(<r²>)^1/2	5.253

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

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

States and conformations

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