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	hartrees
Energy at 0K	-153.545148
Energy at 298.15K	-153.550184
HF Energy	-153.545148
Nuclear repulsion energy	74.751575

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3086	3028	12.09
2	A'	2996	2940	5.56
3	A'	2715	2665	35.79
4	A'	1453	1426	5.78
5	A'	1377	1351	47.47
6	A'	1349	1323	12.32
7	A'	1239	1215	19.58
8	A'	1150	1128	10.72
9	A'	1083	1063	14.05
10	A'	895	879	3.01
11	A'	428	420	10.35
12	A"	3089	3031	6.82
13	A"	2704	2653	4.99
14	A"	1440	1413	9.93
15	A"	1158	1136	0.56
16	A"	819	804	0.07
17	A"	345	338	46.76
18	A"	186	183	0.92

Atom	x (Å)	y (Å)	z (Å)
C1	1.015	-0.631	0.000
C2	0.000	0.486	0.000
O3	-1.283	0.153	0.000
H4	2.049	-0.244	0.000
H5	0.879	-1.267	0.891
H6	0.879	-1.267	-0.891
H7	0.184	1.208	0.854
H8	0.184	1.208	-0.854

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5094	2.4284	1.1036	1.1029	1.1029	2.1913	2.1913
C2	1.5094		1.3256	2.1748	2.1543	2.1543	1.1329	1.1329
O3	2.4284	1.3256		3.3554	2.7364	2.7364	1.9983	1.9983
H4	1.1036	2.1748	3.3554		1.7909	1.7909	2.5129	2.5129
H5	1.1029	2.1543	2.7364	1.7909		1.7811	2.5716	3.1070
H6	1.1029	2.1543	2.7364	1.7909	1.7811		3.1070	2.5716
H7	2.1913	1.1329	1.9983	2.5129	2.5716	3.1070		1.7070
H8	2.1913	1.1329	1.9983	2.5129	3.1070	2.5716	1.7070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	117.719	C1	C2	H7	111.257
C1	C2	H8	111.257	C2	C1	H4	111.733
C2	C1	H5	110.138	C2	C1	H6	110.138
O3	C2	H7	108.485	O3	C2	H8	108.485
H4	C1	H5	108.515	H4	C1	H6	108.515
H5	C1	H6	107.692	H7	C2	H8	97.763

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

using model chemistry: LSDA/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	-0.546
2	C	-0.137
3	O	-0.295
4	H	0.169
5	H	0.198
6	H	0.198
7	H	0.207
8	H	0.207

	x	y	z	Total
	2.135	0.644	0.000	2.230
CHELPG
AIM
ESP

	x	y	z
x	4.541	0.052	0.000
y	0.052	3.922	0.000
z	0.000	0.000	3.844

<r²>	50.483
(<r²>)^1/2	7.105

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

using model chemistry: LSDA/6-31G*

States and conformations

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