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	hartrees
Energy at 0K	-154.303831
Energy at 298.15K
HF Energy	-154.303831
Nuclear repulsion energy	73.500568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3039	3014	27.70
2	A'	2973	2949	15.59
3	A'	2773	2750	37.26
4	A'	1487	1475	4.24
5	A'	1391	1380	13.60
6	A'	1371	1360	25.40
7	A'	1301	1290	10.72
8	A'	1079	1070	3.38
9	A'	1050	1042	17.00
10	A'	862	855	1.99
11	A'	419	415	7.20
12	A"	3050	3025	23.67
13	A"	2768	2745	11.58
14	A"	1479	1467	4.15
15	A"	1204	1194	0.13
16	A"	837	830	0.24
17	A"	240	238	11.64
18	A"	209i	207i	40.77

Atom	x (Å)	y (Å)	z (Å)
C1	1.062	-0.599	0.000
C2	0.000	0.519	0.000
O3	-1.323	0.092	0.000
H4	2.086	-0.186	0.000
H5	0.945	-1.235	0.892
H6	0.945	-1.235	-0.892
H7	0.119	1.198	0.878
H8	0.119	1.198	-0.878

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5417	2.4826	1.1046	1.1016	1.1016	2.2105	2.2105
C2	1.5417		1.3902	2.2023	2.1831	2.1831	1.1156	1.1156
O3	2.4826	1.3902		3.4206	2.7752	2.7752	2.0174	2.0174
H4	1.1046	2.2023	3.4206		1.7879	1.7879	2.5607	2.5607
H5	1.1016	2.1831	2.7752	1.7879		1.7835	2.5691	3.1195
H6	1.1016	2.1831	2.7752	1.7879	1.7835		3.1195	2.5691
H7	2.2105	1.1156	2.0174	2.5607	2.5691	3.1195		1.7554
H8	2.2105	1.1156	2.0174	2.5607	3.1195	2.5691	1.7554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	115.632	C1	C2	H7	111.576
C1	C2	H8	111.576	C2	C1	H4	111.592
C2	C1	H5	110.251	C2	C1	H6	110.251
O3	C2	H7	106.731	O3	C2	H8	106.731
H4	C1	H5	108.271	H4	C1	H6	108.271
H5	C1	H6	108.104	H7	C2	H8	103.768

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

using model chemistry: BLYP/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	-0.408
2	C	-0.025
3	O	-0.299
4	H	0.125
5	H	0.148
6	H	0.148
7	H	0.155
8	H	0.155

	x	y	z	Total
	1.883	0.622	0.000	1.983
CHELPG
AIM
ESP

	x	y	z
x	4.445	0.056	0.000
y	0.056	3.823	0.000
z	0.000	0.000	3.831

<r²>	51.819
(<r²>)^1/2	7.199

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

using model chemistry: BLYP/6-31G*

States and conformations

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