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	hartrees
Energy at 0K	-153.456466
Energy at 298.15K
HF Energy	-153.456466
Nuclear repulsion energy	72.412347

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3043	3026	24.32
2	A'	2980	2963	14.17
3	A'	2826	2810	32.64
4	A'	1527	1518	6.38
5	A'	1424	1416	12.63
6	A'	1411	1403	14.55
7	A'	1311	1303	2.74
8	A'	1077	1072	4.42
9	A'	959	954	18.32
10	A'	817	813	0.71
11	A'	379	377	5.52
12	A"	3053	3036	22.41
13	A"	2831	2815	11.41
14	A"	1518	1510	4.66
15	A"	1243	1236	0.69
16	A"	871	866	0.01
17	A"	228	227	7.44
18	A"	423i	420i	65.81

Atom	x (Å)	y (Å)	z (Å)
C1	1.084	-0.578	0.000
C2	0.000	0.529	0.000
O3	-1.350	0.056	0.000
H4	2.094	-0.133	0.000
H5	0.974	-1.213	0.894
H6	0.974	-1.213	-0.894
H7	0.126	1.204	0.881
H8	0.126	1.204	-0.881

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5500	2.5154	1.1030	1.1016	1.1016	2.2076	2.2076
C2	1.5500		1.4304	2.1958	2.1867	2.1867	1.1168	1.1168
O3	2.5154	1.4304		3.4485	2.7941	2.7941	2.0668	2.0668
H4	1.1030	2.1958	3.4485		1.7938	1.7938	2.5373	2.5373
H5	1.1016	2.1867	2.7941	1.7938		1.7875	2.5618	3.1162
H6	1.1016	2.1867	2.7941	1.7938	1.7875		3.1162	2.5618
H7	2.2076	1.1168	2.0668	2.5373	2.5618	3.1162		1.7613
H8	2.2076	1.1168	2.0668	2.5373	3.1162	2.5618	1.7613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	115.065	C1	C2	H7	110.695
C1	C2	H8	110.695	C2	C1	H4	110.589
C2	C1	H5	109.957	C2	C1	H6	109.957
O3	C2	H7	107.830	O3	C2	H8	107.830
H4	C1	H5	108.920	H4	C1	H6	108.920
H5	C1	H6	108.455	H7	C2	H8	104.099

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

using model chemistry: BLYP/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	-0.541
2	C	-0.154
3	O	-0.274
4	H	0.169
5	H	0.192
6	H	0.192
7	H	0.208
8	H	0.208

	x	y	z	Total
	1.760	0.698	0.000	1.893
CHELPG
AIM
ESP

	x	y	z
x	4.049	0.079	0.000
y	0.079	3.421	0.000
z	0.000	0.000	3.587

<r²>	52.786
(<r²>)^1/2	7.265

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

using model chemistry: BLYP/3-21G

States and conformations

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