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	hartrees
Energy at 0K	-154.417060
Energy at 298.15K	-154.421928
HF Energy	-154.417060
Nuclear repulsion energy	74.127272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3097	2994	25.85
2	A'	3030	2930	15.07
3	A'	2887	2791	30.33
4	A'	1496	1446	6.47
5	A'	1409	1363	21.72
6	A'	1389	1342	22.24
7	A'	1342	1297	10.03
8	A'	1098	1061	5.84
9	A'	1069	1034	16.99
10	A'	887	857	0.47
11	A'	432	418	7.47
12	A"	3107	3004	23.40
13	A"	2890	2794	8.84
14	A"	1485	1435	6.57
15	A"	1239	1198	0.11
16	A"	866	837	0.02
17	A"	278	269	20.45
18	A"	100	96	12.03

Atom	x (Å)	y (Å)	z (Å)
C1	1.043	-0.603	0.000
C2	0.000	0.512	0.000
O3	-1.303	0.102	0.000
H4	2.058	-0.193	0.000
H5	0.926	-1.233	0.885
H6	0.926	-1.233	-0.885
H7	0.128	1.192	0.866
H8	0.128	1.192	-0.866

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5266	2.4503	1.0942	1.0925	1.0925	2.1930	2.1930
C2	1.5266		1.3660	2.1752	2.1641	2.1641	1.1088	1.1088
O3	2.4503	1.3660		3.3741	2.7449	2.7449	1.9968	1.9968
H4	1.0942	2.1752	3.3741		1.7737	1.7737	2.5283	2.5283
H5	1.0925	2.1641	2.7449	1.7737		1.7691	2.5532	3.0955
H6	1.0925	2.1641	2.7449	1.7737	1.7691		3.0955	2.5532
H7	2.1930	1.1088	1.9968	2.5283	2.5532	3.0955		1.7316
H8	2.1930	1.1088	1.9968	2.5283	3.0955	2.5532	1.7316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	115.682	C1	C2	H7	111.659
C1	C2	H8	111.659	C2	C1	H4	111.120
C2	C1	H5	110.341	C2	C1	H6	110.341
O3	C2	H7	107.117	O3	C2	H8	107.117
H4	C1	H5	108.414	H4	C1	H6	108.414
H5	C1	H6	108.124	H7	C2	H8	102.672

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

using model chemistry: B3LYP/6-311G**

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	-0.305
2	C	-0.050
3	O	-0.240
4	H	0.098
5	H	0.117
6	H	0.117
7	H	0.132
8	H	0.132

	x	y	z	Total
	1.904	0.683	0.000	2.023
CHELPG
AIM
ESP

	x	y	z
x	4.518	0.004	0.000
y	0.004	4.057	0.000
z	0.000	0.000	3.945

<r²>	51.252
(<r²>)^1/2	7.159

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

using model chemistry: B3LYP/6-311G**

States and conformations

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