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	hartrees
Energy at 0K	-154.342560
Energy at 298.15K
HF Energy	-154.342560
Nuclear repulsion energy	74.369419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3151	3008	18.01
2	A'	3066	2927	11.75
3	A'	2931	2798	25.47
4	A'	1497	1429	4.64
5	A'	1411	1348	28.44
6	A'	1392	1329	9.97
7	A'	1343	1282	10.12
8	A'	1106	1055	12.03
9	A'	1104	1054	6.88
10	A'	903	862	0.52
11	A'	427	408	5.92
12	A"	3159	3016	16.11
13	A"	2952	2818	7.70
14	A"	1487	1419	4.53
15	A"	1245	1188	0.25
16	A"	851	812	0.00
17	A"	246	235	10.54
18	A"	190i	181i	28.56

Atom	x (Å)	y (Å)	z (Å)
C1	1.037	-0.603	0.000
C2	0.000	0.510	0.000
O3	-1.297	0.105	0.000
H4	2.051	-0.194	0.000
H5	0.920	-1.233	0.884
H6	0.920	-1.233	-0.884
H7	0.134	1.189	0.865
H8	0.134	1.189	-0.865

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5211	2.4396	1.0934	1.0923	1.0923	2.1851	2.1851
C2	1.5211		1.3590	2.1684	2.1600	2.1600	1.1077	1.1077
O3	2.4396	1.3590		3.3619	2.7367	2.7367	1.9925	1.9925
H4	1.0934	2.1684	3.3619		1.7726	1.7726	2.5173	2.5173
H5	1.0923	2.1600	2.7367	1.7726		1.7690	2.5463	3.0893
H6	1.0923	2.1600	2.7367	1.7726	1.7690		3.0893	2.5463
H7	2.1851	1.1077	1.9925	2.5173	2.5463	3.0893		1.7300
H8	2.1851	1.1077	1.9925	2.5173	3.0893	2.5463	1.7300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	115.672	C1	C2	H7	111.479
C1	C2	H8	111.479	C2	C1	H4	111.013
C2	C1	H5	110.411	C2	C1	H6	110.411
O3	C2	H7	107.309	O3	C2	H8	107.309
H4	C1	H5	108.388	H4	C1	H6	108.388
H5	C1	H6	108.144	H7	C2	H8	102.681

All results from a given calculation for CH₃CH₂O (Ethoxy radical)

using model chemistry: mPW1PW91/6-31G(2df,p)

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	-0.463
2	C	-0.067
3	O	-0.241
4	H	0.140
5	H	0.156
6	H	0.156
7	H	0.159
8	H	0.159

	x	y	z	Total
	1.792	0.593	0.000	1.888
CHELPG
AIM
ESP

	x	y	z
x	4.311	-0.007	0.000
y	-0.007	3.906	0.000
z	0.000	0.000	3.850

<r²>	50.617
(<r²>)^1/2	7.115

All results from a given calculation for CH3CH2O (Ethoxy radical)

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃CH₂O (Ethoxy radical)