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	hartrees
Energy at 0K	-153.525099
Energy at 298.15K
HF Energy	-153.525099
Nuclear repulsion energy	72.899467

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3125	3016	20.72
2	A'	3060	2952	11.60
3	A'	2958	2855	25.56
4	A'	1564	1509	7.70
5	A'	1479	1427	13.41
6	A'	1456	1405	11.99
7	A'	1366	1318	3.02
8	A'	1114	1075	5.51
9	A'	1004	969	16.92
10	A'	852	822	0.08
11	A'	391	378	5.77
12	A"	3135	3025	19.95
13	A"	2975	2870	7.76
14	A"	1555	1500	4.88
15	A"	1290	1244	1.08
16	A"	907	875	0.09
17	A"	247	238	8.80
18	A"	362i	349i	50.50

Atom	x (Å)	y (Å)	z (Å)
C1	1.080	-0.558	0.000
C2	0.000	0.534	0.000
O3	-1.339	0.030	0.000
H4	2.080	-0.111	0.000
H5	0.975	-1.189	0.888
H6	0.975	-1.189	-0.888
H7	0.104	1.196	0.878
H8	0.104	1.196	-0.878

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5353	2.4892	1.0953	1.0942	1.0942	2.1906	2.1906
C2	1.5353		1.4309	2.1775	2.1693	2.1693	1.1045	1.1045
O3	2.4892	1.4309		3.4219	2.7617	2.7617	2.0524	2.0524
H4	1.0953	2.1775	3.4219		1.7807	1.7807	2.5268	2.5268
H5	1.0942	2.1693	2.7617	1.7807		1.7750	2.5390	3.0926
H6	1.0942	2.1693	2.7617	1.7807	1.7750		3.0926	2.5390
H7	2.1906	1.1045	2.0524	2.5268	2.5390	3.0926		1.7561
H8	2.1906	1.1045	2.0524	2.5268	3.0926	2.5390	1.7561

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	114.059	C1	C2	H7	111.113
C1	C2	H8	111.113	C2	C1	H4	110.624
C2	C1	H5	110.045	C2	C1	H6	110.045
O3	C2	H7	107.390	O3	C2	H8	107.390
H4	C1	H5	108.835	H4	C1	H6	108.835
H5	C1	H6	108.408	H7	C2	H8	105.305

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

using model chemistry: B3LYP/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	-0.579
2	C	-0.167
3	O	-0.288
4	H	0.183
5	H	0.205
6	H	0.205
7	H	0.220
8	H	0.220

	x	y	z	Total
	1.819	0.734	0.000	1.961
CHELPG
AIM
ESP

	x	y	z
x	3.795	0.078	0.000
y	0.078	3.299	0.000
z	0.000	0.000	3.480

<r²>	52.098
(<r²>)^1/2	7.218

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

using model chemistry: B3LYP/3-21G

States and conformations

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