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	hartrees
Energy at 0K	-152.616400
Energy at 298.15K	-152.621502
HF Energy	-152.616400
Nuclear repulsion energy	73.187095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3271	2952	26.14
2	A'	3210	2897	5.98
3	A'	3201	2889	29.43
4	A'	1670	1507	7.80
5	A'	1631	1472	3.88
6	A'	1577	1424	9.86
7	A'	1504	1357	5.47
8	A'	1203	1086	8.03
9	A'	1070	966	21.45
10	A'	908	820	2.34
11	A'	421	380	6.88
12	A"	3281	2961	30.60
13	A"	3230	2916	3.96
14	A"	1659	1497	3.34
15	A"	1397	1261	2.02
16	A"	1000	902	0.03
17	A"	350	316	27.17
18	A"	151	136	6.25

Atom	x (Å)	y (Å)	z (Å)
C1	1.081	-0.528	0.000
C2	0.000	0.552	0.000
O3	-1.332	-0.016	0.000
H4	2.067	-0.079	0.000
H5	0.983	-1.154	0.878
H6	0.983	-1.154	-0.878
H7	0.070	1.187	0.875
H8	0.070	1.187	-0.875

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5276	2.4662	1.0837	1.0828	1.0828	2.1749	2.1749
C2	1.5276		1.4478	2.1610	2.1557	2.1557	1.0840	1.0840
O3	2.4662	1.4478		3.3993	2.7248	2.7248	2.0442	2.0442
H4	1.0837	2.1610	3.3993		1.7612	1.7612	2.5216	2.5216
H5	1.0828	2.1557	2.7248	1.7612		1.7559	2.5132	3.0644
H6	1.0828	2.1557	2.7248	1.7612	1.7559		3.0644	2.5132
H7	2.1749	1.0840	2.0442	2.5216	2.5132	3.0644		1.7508
H8	2.1749	1.0840	2.0442	2.5216	3.0644	2.5132	1.7508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	111.935	C1	C2	H7	111.643
C1	C2	H8	111.643	C2	C1	H4	110.551
C2	C1	H5	110.180	C2	C1	H6	110.180
O3	C2	H7	106.806	O3	C2	H8	106.806
H4	C1	H5	108.766	H4	C1	H6	108.766
H5	C1	H6	108.345	H7	C2	H8	107.718

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

using model chemistry: HF/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	-0.622
2	C	-0.142
3	O	-0.342
4	H	0.199
5	H	0.221
6	H	0.221
7	H	0.232
8	H	0.232

	x	y	z	Total
	2.027	0.843	0.000	2.196
CHELPG
AIM
ESP

	x	y	z
x	3.461	0.045	0.000
y	0.045	3.135	0.000
z	0.000	0.000	3.350

<r²>	51.807
(<r²>)^1/2	7.198

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

using model chemistry: HF/3-21G*

States and conformations

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