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	hartrees
Energy at 0K	-153.325810
Energy at 298.15K
HF Energy	-153.325810
Nuclear repulsion energy	72.718709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3064	3036	18.79
2	A'	2988	2961	11.40
3	A'	2832	2806	30.83
4	A'	1515	1501	8.21
5	A'	1410	1397	15.36
6	A'	1399	1387	20.15
7	A'	1298	1286	3.14
8	A'	1078	1068	5.91
9	A'	993	983	17.79
10	A'	838	831	1.57
11	A'	382	378	6.05
12	A"	3072	3044	16.26
13	A"	2845	2820	9.07
14	A"	1506	1492	6.63
15	A"	1236	1224	1.02
16	A"	867	859	0.13
17	A"	234	232	9.20
18	A"	368i	365i	63.22

Atom	x (Å)	y (Å)	z (Å)
C1	1.075	-0.579	0.000
C2	0.000	0.525	0.000
O3	-1.341	0.061	0.000
H4	2.088	-0.139	0.000
H5	0.963	-1.215	0.895
H6	0.963	-1.215	-0.895
H7	0.131	1.204	0.880
H8	0.131	1.204	-0.880

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5412	2.5000	1.1042	1.1033	1.1033	2.2011	2.2011
C2	1.5412		1.4189	2.1913	2.1804	2.1804	1.1188	1.1188
O3	2.5000	1.4189		3.4352	2.7815	2.7815	2.0605	2.0605
H4	1.1042	2.1913	3.4352		1.7956	1.7956	2.5315	2.5315
H5	1.1033	2.1804	2.7815	1.7956		1.7891	2.5579	3.1129
H6	1.1033	2.1804	2.7815	1.7956	1.7891		3.1129	2.5579
H7	2.2011	1.1188	2.0605	2.5315	2.5579	3.1129		1.7591
H8	2.2011	1.1188	2.0605	2.5315	3.1129	2.5579	1.7591

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	115.184	C1	C2	H7	110.674
C1	C2	H8	110.674	C2	C1	H4	110.772
C2	C1	H5	109.970	C2	C1	H6	109.970
O3	C2	H7	107.991	O3	C2	H8	107.991
H4	C1	H5	108.863	H4	C1	H6	108.863
H5	C1	H6	108.352	H7	C2	H8	103.647

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

using model chemistry: PBEPBE/3-21G

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	-0.623
2	C	-0.209
3	O	-0.276
4	H	0.196
5	H	0.220
6	H	0.220
7	H	0.236
8	H	0.236

	x	y	z	Total
	1.810	0.717	0.000	1.947
CHELPG
AIM
ESP

	x	y	z
x	4.058	0.078	0.000
y	0.078	3.434	0.000
z	0.000	0.000	3.585

<r²>	52.378
(<r²>)^1/2	7.237

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

using model chemistry: PBEPBE/3-21G

States and conformations

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