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	hartrees
Energy at 0K	-153.483364
Energy at 298.15K
HF Energy	-153.483364
Nuclear repulsion energy	74.111127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3240	2950	40.83
2	A'	3171	2888	13.48
3	A'	3151	2869	34.08
4	A'	1591	1449	4.10
5	A'	1550	1411	13.35
6	A'	1525	1388	13.51
7	A'	1486	1353	4.86
8	A'	1185	1079	6.25
9	A'	1151	1048	34.59
10	A'	954	869	2.84
11	A'	455	414	6.02
12	A"	3252	2961	48.28
13	A"	3186	2901	14.38
14	A"	1576	1435	3.40
15	A"	1356	1234	0.26
16	A"	915	833	0.00
17	A"	270	246	3.76
18	A"	180i	163i	13.45

Atom	x (Å)	y (Å)	z (Å)
C1	1.050	-0.570	0.000
C2	0.000	0.528	0.000
O3	-1.305	0.054	0.000
H4	2.051	-0.135	0.000
H5	0.947	-1.199	0.884
H6	0.947	-1.199	-0.884
H7	0.096	1.177	0.876
H8	0.096	1.177	-0.876

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5195	2.4365	1.0917	1.0902	1.0902	2.1743	2.1743
C2	1.5195		1.3887	2.1560	2.1596	2.1596	1.0942	1.0942
O3	2.4365	1.3887		3.3618	2.7249	2.7249	1.9982	1.9982
H4	1.0917	2.1560	3.3618		1.7704	1.7704	2.5119	2.5119
H5	1.0902	2.1596	2.7249	1.7704		1.7682	2.5237	3.0770
H6	1.0902	2.1596	2.7249	1.7704	1.7682		3.0770	2.5237
H7	2.1743	1.0942	1.9982	2.5119	2.5237	3.0770		1.7524
H8	2.1743	1.0942	1.9982	2.5119	3.0770	2.5237	1.7524

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	113.740	C1	C2	H7	111.544
C1	C2	H8	111.544	C2	C1	H4	110.237
C2	C1	H5	110.613	C2	C1	H6	110.613
O3	C2	H7	106.579	O3	C2	H8	106.579
H4	C1	H5	108.466	H4	C1	H6	108.466
H5	C1	H6	108.376	H7	C2	H8	106.405

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

using model chemistry: HF/aug-cc-pVDZ

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	0.223
2	C	0.686
3	O	-0.582
4	H	-0.024
5	H	-0.038
6	H	-0.038
7	H	-0.113
8	H	-0.113

	x	y	z	Total
	1.880	0.638	0.000	1.986
CHELPG
AIM
ESP

	x	y	z
x	4.617	-0.084	0.000
y	-0.084	4.303	0.000
z	0.000	0.000	4.116

<r²>	51.084
(<r²>)^1/2	7.147

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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